data/hdac1_test.json

{"board": "HDAC1", "n": 1925, "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-3CCF524F4D89", "smiles": "O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1)NO"}, {"compound_id": "LB-5C2160378AD1", "smiles": "O=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)cn1)NO"}, {"compound_id": "LB-2B4C4BC06CF9", "smiles": "O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4cccc(F)c4)c3n2)cn1)NO"}, {"compound_id": "LB-1113E9EC66E4", "smiles": "O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1)NO"}, {"compound_id": "LB-C33115556271", "smiles": "O=C(CCCCCn1cc(Nc2ncc3ccn(Cc4cccc(F)c4)c3n2)cn1)NO"}, {"compound_id": "LB-6EEB2428D55D", "smiles": "O=C(CCCCCCOc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1)NO"}, {"compound_id": "LB-D9602616C46C", "smiles": "O=C(CCCCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO"}, {"compound_id": "LB-42A2DCB61E12", "smiles": "O=C(CCCCCCOc1cccc(-c2nc3ccccc3[nH]2)c1)NO"}, {"compound_id": "LB-3405F2E23277", "smiles": "O=C(CCCCCCCOc1cccc(-c2nc3ccccc3[nH]2)c1)NO"}, {"compound_id": "LB-6952E0DEB076", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1"}, {"compound_id": "LB-0D4FD25B32CC", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1"}, {"compound_id": "LB-E8A85D108526", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3cn2)cc1"}, {"compound_id": "LB-5E795FE8F23B", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1"}, {"compound_id": "LB-2EE78A4E6330", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2ccc3cnccc3c2)cc1"}, {"compound_id": "LB-6C78C62B98CA", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2ccc3ccncc3c2)cc1"}, {"compound_id": "LB-E6C540798A49", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2ccc3cnccc3n2)cc1"}, {"compound_id": "LB-B3DE61AB9AD4", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1"}, {"compound_id": "LB-1B1446C6382C", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1"}, {"compound_id": "LB-5BC29B0AC8F2", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1"}, {"compound_id": "LB-7BCFD8B55E36", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2nc3ccccc3[nH]2)cc1"}, {"compound_id": "LB-FF961FED762D", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2nc3ccccc3s2)cc1"}, {"compound_id": "LB-313B58A306BD", "smiles": "CCCNNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1"}, {"compound_id": "LB-E9E7B3097E46", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1"}, {"compound_id": "LB-6827362F8E20", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1"}, {"compound_id": "LB-BECF931EB6C1", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1"}, {"compound_id": "LB-FC0A8F9708FB", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1"}, {"compound_id": "LB-63375DBEEF44", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(F)ccc3o2)cc1"}, {"compound_id": "LB-F4345CDC072F", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1"}, {"compound_id": "LB-4FD04938050E", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(Br)ccc3o2)cc1"}, {"compound_id": "LB-445382D1ADB5", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1"}, {"compound_id": "LB-C6C1BFEE64A3", "smiles": "CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(O)ccc3o2)cc1"}, {"compound_id": "LB-6BF0955903BB", "smiles": "C=CCOc1ccc2oc(C(=O)NCc3ccc(C(=O)NNCCC)cc3)cc2c1"}, {"compound_id": "LB-33A1CBEAF5DA", "smiles": "Nc1ccccc1NC(=O)CCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"}, {"compound_id": "LB-6942BACC38F6", "smiles": "Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"}, {"compound_id": "LB-D9F8DFDFB890", "smiles": "Nc1ccccc1NC(=O)CCCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12"}, {"compound_id": "LB-9AC737BFB916", "smiles": "Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3cc(Cl)ccc3nc2c2ccccc12"}, {"compound_id": "LB-7A819BACD711", "smiles": "Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12"}, {"compound_id": "LB-79A513AC0080", "smiles": "Cc1ccc2nc3c4ccccc4c(NCCCCCCC(=O)Nc4ccccc4N)nn3c(=O)c2c1"}, {"compound_id": "LB-93F59364A930", "smiles": "Nc1ccccc1NC(=O)CCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12"}, {"compound_id": "LB-B3E6CFB23300", "smiles": "O=C(CCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-67D05086BE2C", "smiles": "O=C(CCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-F769081E91F5", "smiles": "O=C(CCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-63125FE64CC2", "smiles": "O=C(CCCCCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-09EBF1DDF599", "smiles": "O=C(CCCCCCNc1nn2c(=O)c3cc(Cl)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-419D53CE6232", "smiles": "O=C(CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-1569BEB34756", "smiles": "Cc1ccc2nc3c4ccccc4c(NCCCCCCC(=O)NO)nn3c(=O)c2c1"}, {"compound_id": "LB-9FD4FBD217C5", "smiles": "O=C(CCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-2CD569CCF3BB", "smiles": "O=C(CCCCCCCNc1nn2c(=O)c3cc(Cl)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-DF4686CD8BE5", "smiles": "O=C(CCCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-0EE2C9AFE962", "smiles": "Cc1ccc2nc3c4ccccc4c(NCCCCCCCC(=O)NO)nn3c(=O)c2c1"}, {"compound_id": "LB-504BA4A9F7EB", "smiles": "O=C(CCCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12)NO"}, {"compound_id": "LB-5DB3ACE2A9BA", "smiles": "COc1ccccc1-c1ncc(C(=O)NCCCCCCC(=O)NO)s1"}, {"compound_id": "LB-4115603F18A1", "smiles": "COc1cccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1"}, {"compound_id": "LB-EFCAB2AD1A34", "smiles": "COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c(OC)c1"}, {"compound_id": "LB-FBE733395F33", "smiles": "COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)[nH]2)c(OC)c1"}, {"compound_id": "LB-2238BCAFCBA8", "smiles": "CC(C)(C)OC(=O)Nc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)cc1"}, {"compound_id": "LB-E3F6F791D8E7", "smiles": "COc1ccc(-c2ncc(C(=O)NCCCCCC(=O)NO)s2)c(OC)c1"}, {"compound_id": "LB-CDB5CB5DD6C0", "smiles": "COc1cccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)c1"}, {"compound_id": "LB-B4992D67E368", "smiles": "COc1ccc(-c2ncc(/C=C/C(=O)Nc3ccccc3N)s2)cc1OC"}, {"compound_id": "LB-8FD84471CE66", "smiles": 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"smiles": "Nc1ccccc1NC(=O)c1ccc(CSc2nc(N3CCOCC3)c3cccn3n2)cc1"}, {"compound_id": "LB-34B3DE23236D", "smiles": "Nc1ccccc1NC(=O)c1ccc(CSc2nc(NCc3ccc(C(F)(F)F)cc3)c3cccn3n2)cc1"}, {"compound_id": "LB-BF55F775235B", "smiles": "Nc1ccccc1NC(=O)c1ccc(CSc2nc(NCc3ccc(F)cc3)c3cccn3n2)cc1"}, {"compound_id": "LB-327B458F8A14", "smiles": "COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)cc1"}, {"compound_id": "LB-84AE6A404CE5", "smiles": "COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)cc1OC"}, {"compound_id": "LB-E6784EFDA9BE", "smiles": "COc1ccc(CNc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)nn3cccc23)c(OC)c1"}, {"compound_id": "LB-84A0D8AAE67F", "smiles": "Nc1cc(F)ccc1NC(=O)c1ccc(CSc2nc(Nc3cc[nH]n3)c3cccn3n2)cc1"}, {"compound_id": "LB-0F4E0181E3D8", "smiles": "Cc1cc(Nc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)n[nH]1"}, {"compound_id": "LB-CD24E47A6BD8", "smiles": "CC(C)(C)c1cc(Nc2nc(SCc3ccc(C(=O)Nc4ccc(F)cc4N)cc3)nn3cccc23)n[nH]1"}, {"compound_id": "LB-EB95CFC12DB4", "smiles": 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"CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCC(=O)NO)cc34)C21"}, {"compound_id": "LB-0C5BED6322A5", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCC(=O)NO)cc34)C21"}, {"compound_id": "LB-617E92E15B6C", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCCC(=O)NO)cc34)C21"}, {"compound_id": "LB-918AAE573A97", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCCCC(=O)NO)cc34)C21"}, {"compound_id": "LB-9DA1D6D499AC", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(C(=O)NO)cc5)cc34)C21"}, {"compound_id": "LB-1E9E25A64DB9", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5cccc(C(=O)NO)c5)cc34)C21"}, {"compound_id": "LB-1F8B093999AC", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccccc5C(=O)NO)cc34)C21"}, {"compound_id": "LB-86C31D82571C", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(CC(=O)NO)cc5)cc34)C21"}, {"compound_id": "LB-54AB41045AE0", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(/C=C/C(=O)NO)cc5)cc34)C21"}, {"compound_id": "LB-87DE22C04A13", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCC(=O)Nc5ccccc5N)cc34)C21"}, {"compound_id": "LB-2B9E5F600D8A", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCC(=O)Nc5ccccc5N)cc34)C21"}, {"compound_id": "LB-79C346CE752A", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCC(=O)Nc5ccccc5N)cc34)C21"}, {"compound_id": "LB-574087ED3ADD", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCCCCCCC(=O)Nc5ccccc5N)cc34)C21"}, {"compound_id": "LB-746F04139C64", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(C(=O)Nc6ccccc6N)cc5)cc34)C21"}, {"compound_id": "LB-E713F5700FCE", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5cccc(C(=O)Nc6ccccc6N)c5)cc34)C21"}, {"compound_id": "LB-D63894B9C970", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccccc5C(=O)Nc5ccccc5N)cc34)C21"}, {"compound_id": "LB-DF5FAA547599", "smiles": "CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(/C=C/C(=O)Nc6ccccc6N)cc5)cc34)C21"}, {"compound_id": "LB-B656A97E025E", "smiles": 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{"compound_id": "LB-15D6040D5F65", "smiles": "O=C(NO)c1ccc(CNC(=O)c2ccnc(-c3ccc(OCc4ccccc4)cc3)c2)cc1"}, {"compound_id": "LB-0E96A1C8C06B", "smiles": "CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(C(=O)NCc4ccc(C(=O)NO)cc4)ccn3)cc2)CC1"}, {"compound_id": "LB-2F616A1395AD", "smiles": "CN1CCN(c2ccc(-c3cc(C(=O)NCc4ccc(C(=O)NO)cc4)ccn3)cc2)CC1"}, {"compound_id": "LB-E5C767552395", "smiles": "COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cc1Cl"}, {"compound_id": "LB-CE67928EFB20", "smiles": "COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cc1OC"}, {"compound_id": "LB-05E6960F962B", "smiles": "Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)c(C)c1"}, {"compound_id": "LB-8C5147BFF62B", "smiles": "Cc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)c(F)c1"}, {"compound_id": "LB-795A942F832A", "smiles": "Cc1c(N)cccc1-c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccn1"}, {"compound_id": "LB-16D1BEE9D013", "smiles": "COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)ccn2)cn1"}, {"compound_id": "LB-D5E5DC4DBE0A", "smiles": 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"Cc1ccc(-c2cc(-c3ccn(Cc4ccc(C(=O)NO)cc4)n3)ccn2)c(F)c1"}, {"compound_id": "LB-E7D86D69C05F", "smiles": "COc1ccc(-c2cc(N3CCN(Cc4ccc(C(=O)NO)cc4)CC3)ccn2)cc1"}, {"compound_id": "LB-C54393F3422C", "smiles": "O=C(NO)c1ccc(CN2CCN(c3ccnc(-c4ccc(N5CCOCC5)cc4)c3)CC2)cc1"}, {"compound_id": "LB-71BAAC9B8839", "smiles": "COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c3cc[nH]c3c2)cc1"}, {"compound_id": "LB-5507809B56DD", "smiles": "O=C(NO)c1ccc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)cc3[nH]ccc23)cc1"}, {"compound_id": "LB-2134572402AE", "smiles": "COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c3ccccc3n2)cc1"}, {"compound_id": "LB-DC34BBA84773", "smiles": "O=C(NO)c1ccc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccccc23)cc1"}, {"compound_id": "LB-BFAF01F042D8", "smiles": "COc1cc(NCc2ccc(C(=O)NO)cc2)c2ncccc2c1"}, {"compound_id": "LB-90F05BF03678", "smiles": "O=C(NO)c1ccc(CNc2cccc3ccc(F)nc23)cc1"}, {"compound_id": "LB-8C0AA1594B92", "smiles": "O=C(NO)c1ccc(CNC2CCCc3cccnc32)cc1"}, {"compound_id": "LB-AF162F111904", "smiles": "O=C(NO)c1ccc(CN2CCc3cccnc32)cc1"}, {"compound_id": "LB-EC6EB9C5B8C1", "smiles": "O=C(NO)c1ccc(CN2CCCc3cccnc32)cc1"}, {"compound_id": "LB-17463D75E11A", "smiles": "O=C(NO)c1ccc(CN2CCCc3cccnc32)c(F)c1"}, {"compound_id": "LB-627D1A360840", "smiles": "O=C(NO)c1ccc(CNC2CCCc3cccnc32)c(F)c1"}, {"compound_id": "LB-1E31B1FFFF25", "smiles": "O=C(NO)c1ccc(CN2CCc3cccnc32)c(F)c1"}, {"compound_id": "LB-55964B01D9C2", "smiles": "COc1ccc([C@H]2[C@H](COC(=O)CCC(=O)NO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O"}, {"compound_id": "LB-5B960C324BFE", "smiles": "COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C(=O)NO)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O"}, {"compound_id": "LB-B7073E685C8A", "smiles": "O=C(CCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"}, {"compound_id": "LB-E57080302F75", "smiles": "O=C(CCCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"}, {"compound_id": "LB-798F6BCDEB91", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"}, {"compound_id": "LB-FFCDB8B83853", "smiles": "O=C(CCCCCCCNC(=O)c1ncc(-c2ccccc2)o1)NO"}, {"compound_id": "LB-A1F4377DCDA3", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)cc1"}, {"compound_id": "LB-FB8D3BE586A5", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCC(=O)NO)o2)cc1"}, {"compound_id": "LB-0E79636DE0FE", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCCC(=O)NO)o2)cc1"}, {"compound_id": "LB-1EB63B6056BC", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)o2)cc1"}, {"compound_id": "LB-7A254F2FC907", "smiles": "COc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)c1"}, {"compound_id": "LB-9D7B44B075D5", "smiles": "COc1cccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)o2)c1"}, {"compound_id": "LB-1A34030B142E", "smiles": "COc1ccccc1-c1cnc(C(=O)NCCCCCCC(=O)NO)o1"}, {"compound_id": "LB-71704164FAFF", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(F)cc2)o1)NO"}, {"compound_id": "LB-1518A753A73D", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO"}, {"compound_id": "LB-9499B410C699", "smiles": "O=C(CCCCCCCNC(=O)c1ncc(-c2ccc(Br)cc2)o1)NO"}, {"compound_id": "LB-4E03CCCF65F7", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2cccc(Br)c2)o1)NO"}, {"compound_id": "LB-05F294221445", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Cl)cc2)o1)NO"}, {"compound_id": "LB-2DDC8D5AC704", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2cccc(Cl)c2)o1)NO"}, {"compound_id": "LB-17C39089D976", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2Cl)o1)NO"}, {"compound_id": "LB-C554FBA65E1D", "smiles": "Cc1ccc(-c2cnc(C(=O)NCCCCCC(=O)NO)o2)cc1"}, {"compound_id": "LB-21BFC07AA72A", "smiles": "Cc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)cc1"}, {"compound_id": "LB-4DF73633529F", "smiles": "Cc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)o2)c1"}, {"compound_id": "LB-3A839D8BADD8", "smiles": "Cc1ccccc1-c1cnc(C(=O)NCCCCCCC(=O)NO)o1"}, {"compound_id": "LB-3EAFE3B4DDD8", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)o1)NO"}, {"compound_id": "LB-3CEECEB9A053", "smiles": "O=C(CCCCCCCNC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)o1)NO"}, {"compound_id": "LB-05BA19EEDD40", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)o1)NO"}, {"compound_id": "LB-D2ABB33AFC9B", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2)s1)NO"}, {"compound_id": "LB-6904BF86D713", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(F)cc2)s1)NO"}, {"compound_id": "LB-DD86A8969C63", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(Cl)cc2)s1)NO"}, {"compound_id": "LB-19CA8A777233", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2cccc(Cl)c2)s1)NO"}, {"compound_id": "LB-E91F0669454B", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccccc2Cl)s1)NO"}, {"compound_id": "LB-C0B95CC06D6A", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCCC(=O)NO)s2)cc1"}, {"compound_id": "LB-96A758DF0FBE", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)cc1"}, {"compound_id": "LB-0AF2B4485E47", "smiles": "COc1ccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)s2)cc1"}, {"compound_id": "LB-CE9DD81AD725", "smiles": "COc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)c1"}, {"compound_id": "LB-8232CC6E088B", "smiles": "COc1cccc(-c2cnc(C(=O)NCCCCCCCC(=O)NO)s2)c1"}, {"compound_id": "LB-9523EC9092EE", "smiles": "COc1ccccc1-c1cnc(C(=O)NCCCCCCC(=O)NO)s1"}, {"compound_id": "LB-417C6B3C7DAA", "smiles": "Cc1ccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)cc1"}, {"compound_id": "LB-14B205E3CC8E", "smiles": "Cc1cccc(-c2cnc(C(=O)NCCCCCCC(=O)NO)s2)c1"}, {"compound_id": "LB-545F1B81F926", "smiles": "O=C(CCCCCCNC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)s1)NO"}, {"compound_id": "LB-28B5CBD0FC2D", "smiles": "CN1c2ccc(NCc3ccc(/C=C/C(=O)NO)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"}, {"compound_id": "LB-B81B9C577400", "smiles": "CN1c2ccc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21"}, {"compound_id": "LB-8D3AB61C978D", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)Nc1ccc(C(=O)NO)cc1"}, {"compound_id": "LB-D85C0F2C685C", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1"}, {"compound_id": "LB-E856C107CE3B", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)Nc1ccc(CC(=O)NO)cc1"}, {"compound_id": "LB-BBC900940624", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1"}, {"compound_id": "LB-98C0AA477EFF", "smiles": "Cc1ccc(C2=N[C@@H](CC(=O)Nc3ccc(C(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"}, {"compound_id": "LB-2C860300CEA1", "smiles": "Cc1ccc(C2=N[C@@H](CC(=O)NCc3ccc(C(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"}, {"compound_id": "LB-0C1826876F3B", "smiles": "Cc1ccc(C2=N[C@@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"}, {"compound_id": "LB-D847586DFDF3", "smiles": "Cc1ccc(C2=N[C@@H](CC(=O)Nc3ccc(/C=C/C(=O)NO)cc3)c3nnc(C)n3-c3ccccc32)cc1"}, {"compound_id": "LB-4AC4F2479FE5", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(C(=O)NO)cc1"}, {"compound_id": "LB-80BD97986287", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1"}, {"compound_id": "LB-16638D1DAA2C", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(CC(=O)NO)cc1"}, {"compound_id": "LB-3320E2B89FF3", "smiles": "Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)Nc1ccc(/C=C/C(=O)NO)cc1"}, {"compound_id": "LB-681BC11327C3", "smiles": "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@H]2CC(=O)NCc1ccc(C(=O)NO)cc1"}, {"compound_id": "LB-2CE493DA753D", "smiles": 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{"compound_id": "LB-2BADCBD72EF5", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nccc(-c3ccccc3)c2=O)cc1"}, {"compound_id": "LB-F7DFA3EDABC4", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1"}, {"compound_id": "LB-9BDB82A415BE", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3F)ccc2=O)cc1"}, {"compound_id": "LB-27829038113B", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccc(F)c3)ccc2=O)cc1"}, {"compound_id": "LB-A79B30C15296", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1"}, {"compound_id": "LB-66C7DE1D9218", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3Cl)ccc2=O)cc1"}, {"compound_id": "LB-B25EED729A0B", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1"}, {"compound_id": "LB-7B01AAF4F018", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1"}, {"compound_id": "LB-058BCB462DD9", "smiles": "Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccc3C(F)(F)F)ccc2=O)cc1"}, {"compound_id": "LB-09942058A9A3", "smiles": 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