{"board": "ABL1", "n": 199, "source": "ChEMBL_37 (EMBL-EBI)", "source_url": "https://www.ebi.ac.uk/chembl/", "license": "CC BY-SA 3.0 Unported", "license_url": "https://creativecommons.org/licenses/by-sa/3.0/", "attribution": "Derived from ChEMBL (EMBL-EBI), licensed CC BY-SA 3.0. Redistribution must retain attribution and the same license.", "note": "구조만 포함한다. 라벨은 배포하지 않는다.", "compounds": [{"compound_id": "LB-BA5A0692E3CC", "smiles": "CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12"}, {"compound_id": "LB-93C2A7075D28", "smiles": "CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncncc5c4)cc3)cc2C(F)(F)F)CC1"}, {"compound_id": "LB-40A2963DBBA7", "smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncncc4c3)cc2)n(-c2ccc3ncccc3c2)n1"}, {"compound_id": "LB-52BC3312D551", "smiles": "CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1"}, {"compound_id": "LB-0ED971341660", "smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncccc4c3)cc2)n(-c2ccc3ncccc3c2)n1"}, {"compound_id": "LB-357DFA828735", "smiles": "CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1"}, {"compound_id": "LB-3002A2D5F361", "smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(-c2ccc3ncccc3c2)n1"}, {"compound_id": "LB-0B674A3EE208", "smiles": "CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1"}, {"compound_id": "LB-C42FA7BD0D0D", "smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1"}, {"compound_id": "LB-D26E1C22F612", "smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1"}, {"compound_id": "LB-60B8FB585EFD", "smiles": "CN1CCN(Cc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccc(NC(=O)C5CC5)nc4)cc3)cc2C(F)(F)F)CC1"}, {"compound_id": "LB-47C75F3F7F39", "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"}, {"compound_id": "LB-6B69637E80C1", "smiles": "Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-7EE1AA12917D", "smiles": "Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1"}, {"compound_id": "LB-0D1B20D057DE", "smiles": "CC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1"}, {"compound_id": "LB-03288A52B2E8", "smiles": "Cc1ccc(C(=O)Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc1Nc1nccc(-c2cccnc2)n1"}, {"compound_id": 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"LB-5CEFC0F44098", "smiles": "CCc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1"}, {"compound_id": "LB-A39DFC531566", "smiles": "Cc1ccc(C(=O)Nc2cc(-n3cnc(C(C)C)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"}, {"compound_id": "LB-53B373D80FC6", "smiles": "Cc1ccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"}, {"compound_id": "LB-4B05E852DFF9", "smiles": "Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)c1"}, {"compound_id": "LB-2AABF77F1D3E", "smiles": "Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"}, {"compound_id": "LB-3CDE2DB573B9", "smiles": "Cc1ccc(C(=O)Nc2cc(-n3cnc4ccccc43)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"}, {"compound_id": "LB-FDB2CA15C1F7", "smiles": "Cc1ccc(C(=O)Nc2cc(-n3cnc(-c4ccccc4)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"}, {"compound_id": "LB-AF086990AB5D", "smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)cc(C(F)(F)F)c2)cn1"}, {"compound_id": "LB-FF316F245614", "smiles": 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{"compound_id": "LB-B96B2A519F94", "smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cn1"}, {"compound_id": "LB-F51031ACF1F8", "smiles": "Cc1ccc(C(=O)Nc2cc(-c3ccnn3C)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"}, {"compound_id": "LB-08815C413AB2", "smiles": "COc1ccc(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cc1"}, {"compound_id": "LB-B2921941C20E", "smiles": "Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"}, {"compound_id": "LB-51A3DD00710B", "smiles": "Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"}, {"compound_id": "LB-DB9EEDCB8E6C", "smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1"}, {"compound_id": "LB-B9C9E34ED21D", "smiles": "Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1Nc1cc(-c2cncnc2)ccn1"}, {"compound_id": "LB-69B502AB026D", "smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cncnc2)ccn1"}, {"compound_id": "LB-A19BCD14F95A", "smiles": 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"Cc1ccc(C(=O)Nc2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1"}, {"compound_id": "LB-1BDCD93E57AB", "smiles": "Cc1ccc(C(=O)Nc2cc(-c3c(C)noc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1"}, {"compound_id": "LB-DFE726ED41B1", "smiles": "Cc1cc(Nc2ncc(C)c(-c3cnn(CCC#N)c3)n2)sn1"}, {"compound_id": "LB-34794F022474", "smiles": "Cc1cc(Nc2ncc(C)c(N3CCC(CC#N)CC3)n2)sn1"}, {"compound_id": "LB-87091C79752E", "smiles": "Cc1cc(Nc2ncc(C)c(N3CCN(CC#N)CC3)n2)sn1"}, {"compound_id": "LB-EE0BC3458C11", "smiles": "Cc1cc(Nc2ncc(C)c(N3CCN(CC#N)C(C)C3)n2)sn1"}, {"compound_id": "LB-4B8997080D37", "smiles": "Cc1cc(Nc2ncc(C)c(N3CCN(CC#N)[C@@H](C)C3)n2)sn1"}, {"compound_id": "LB-49B221E96DDE", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC4CCC(C3)N4CC#N)n2)sn1"}, {"compound_id": "LB-B7D470F8FEA5", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC4CCC(C3)N4CCC#N)n2)sn1"}, {"compound_id": "LB-779BF2E9E80F", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC4CCCC(C3)N4CC#N)n2)sn1"}, {"compound_id": "LB-10319DBFDA0B", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC4CCCC(C3)N4CCC#N)n2)sn1"}, {"compound_id": "LB-4F6980103E23", "smiles": "Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CC#N"}, {"compound_id": "LB-080A09AE160E", "smiles": "Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CCC#N"}, {"compound_id": "LB-F1519497D9A7", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(CCC#N)C3)n2)sn1"}, {"compound_id": "LB-49DC7B0F09CB", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(CC#N)C3)n2)sn1"}, {"compound_id": "LB-D5FCC71FA6D9", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(C4CC4)C3)n2)sn1"}, {"compound_id": "LB-567597322AEC", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(O)(C4CC4)C3)n2)sn1"}, {"compound_id": "LB-17BA20BFCF5D", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(OC4CC5(CC5)C4)C3)n2)sn1"}, {"compound_id": "LB-84882449A0C5", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCCC4)C3)n2)sn1"}, {"compound_id": "LB-47F005A34DFF", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCCCC4)C3)n2)sn1"}, {"compound_id": "LB-73A0DF94FCCF", "smiles": "Cc1cc(Nc2ncc(C)c(N3CC(CC#N)(N4CCN(C)CC4)C3)n2)sn1"}, {"compound_id": 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