data/egfr_test.json

{"board": "EGFR", "n": 1565, "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-CAC5B58DE68E", "smiles": "C#CCN1CCN(c2ccc(Nc3ncc4c(C)cc(=O)n(-c5cccc(NC(=O)C=C)c5)c4n3)c(OC)c2)CC1"}, {"compound_id": "LB-B082A637F544", "smiles": "COc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1N1CCC(N2CCN(C)CC2)CC1"}, {"compound_id": "LB-96B9797C5775", "smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)ccc1N1CCC(N2CCN(C)CC2)CC1"}, {"compound_id": "LB-183EB247CF83", "smiles": "CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3OC(F)(F)F)CC2)CC1"}, {"compound_id": "LB-E3989AAAC7AC", "smiles": "CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3C(F)(F)F)CC2)CC1"}, {"compound_id": "LB-D69ACD7D2BBE", "smiles": "CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3C(F)F)CC2)CC1"}, {"compound_id": "LB-40C7DF4B8CFC", "smiles": "CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"}, {"compound_id": "LB-437EE0E8392B", "smiles": "CN1CCN(C2CCN(c3ccc(Nc4ncc(Br)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"}, {"compound_id": "LB-06D36A1A2A5C", "smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cnc1N1CCC(N2CCN(C)CC2)CC1"}, {"compound_id": "LB-ADA88717D34D", "smiles": "CN1CCN(C2CCN(c3c(Cl)cc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"}, {"compound_id": "LB-F2E90F326F9E", "smiles": "CN1CCN(C2CCN(c3cc(Cl)c(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)cc3Cl)CC2)CC1"}, {"compound_id": "LB-4C18470396A2", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"}, {"compound_id": "LB-6CD160C54497", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"}, {"compound_id": "LB-6234C077C6A5", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3ccccc3)nc3cnc(Nc4ccc(OC)cc4)nc32)c1"}, {"compound_id": "LB-91A9D4CBF7C4", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-68A8A52077FA", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-2480ECAC16A5", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3F)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-5142C47EE140", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3Cl)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-576EB80CAD74", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCC3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-983C910BC72B", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C3CC3)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-71E0C756C71E", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C(C)C)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-404A4D017373", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(CC)nc3cnc(Nc4ccc(OCCOC)cc4)nc32)c1"}, {"compound_id": "LB-9EE079867DE3", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(N5CCN(C)CC5)c4)nc32)c1"}, {"compound_id": "LB-832E8BF63FDD", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(OCC(N)=O)c4)nc32)c1"}, {"compound_id": "LB-74AB1786C2CD", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(OCC(C)=O)c4)nc32)c1"}, {"compound_id": "LB-43326E861CAC", "smiles": "C=CC(=O)Nc1cccc(-n2c(=O)c(C3CCCCC3)nc3cnc(Nc4cccc(OCCOC)c4)nc32)c1"}, {"compound_id": "LB-6A183533D700", "smiles": "CN(C)C(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1"}, {"compound_id": "LB-2DF3C1625DD4", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cnn(CC)c3)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-C33A567E3F7E", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cnn(C)c3)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-E4F2E671C9CD", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)nc3C)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-82735FD7E763", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-9C2688AFAF6F", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC"}, {"compound_id": "LB-79BAF64E3676", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccc(Br)cc1"}, {"compound_id": "LB-32F06730EBE4", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)c1ccc(Br)cc1"}, {"compound_id": "LB-EA525267E3BE", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)/C=C/C"}, {"compound_id": "LB-1A8F4D415524", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)C=C"}, {"compound_id": "LB-A6EB43BCE5A9", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)C#CC"}, {"compound_id": "LB-6A0BC626545A", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)OC"}, {"compound_id": "LB-C59BF9C5FB81", "smiles": "C#CCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"}, {"compound_id": "LB-98CEAB772E8C", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccccc1"}, {"compound_id": "LB-945B25431411", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)CC(=C)C"}, {"compound_id": "LB-7857F67EC794", "smiles": "C=CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"}, {"compound_id": "LB-25A0066D683C", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC"}, {"compound_id": "LB-B0A1BD37E9A7", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)C(=O)OC"}, {"compound_id": "LB-19B2D410D4BE", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)CC(=C)C"}, {"compound_id": "LB-7AF8622300DF", "smiles": "C#CCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3ccn(C)n3)n2)cc1NC(=O)C=C"}, {"compound_id": "LB-2E19DC5F8651", "smiles": "C=CCC(=O)N(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"}, {"compound_id": "LB-862E258674A1", "smiles": "C=CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(Nc3ccn(C)n3)n2)cc1NC(=O)C=C"}, {"compound_id": "LB-FA3D09FDE9BA", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N(C)CCN(C)C)cc3OC)nc3[nH]ccc23)CC1"}, {"compound_id": "LB-59D412092614", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3[nH]ccc23)CC1"}, {"compound_id": "LB-B8924EA61CD6", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)CC1"}, {"compound_id": "LB-330619739B98", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)CC1"}, {"compound_id": "LB-CE8FD1BBD981", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)nc3[nH]ccc23)CC1"}, {"compound_id": "LB-0E18F38758B3", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)CC1"}, {"compound_id": "LB-C0FD346C0E16", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccsc23)CC1"}, {"compound_id": "LB-434C7D0EC743", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3ccsc23)CC1"}, {"compound_id": "LB-36670E766EB0", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)CC1"}, {"compound_id": "LB-0421E7A14743", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)nc3ccsc23)CC1"}, {"compound_id": "LB-4C6F11AC53D0", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3cnn(C)c3)nc3ccsc23)CC1"}, {"compound_id": "LB-EC47EC2C4035", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccn(C)n3)nc3ccsc23)CC1"}, {"compound_id": "LB-F215B6B8E972", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3OC)nc3ccsc23)CC1"}, {"compound_id": "LB-3FF17643C649", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3ccsc23)CC1"}, {"compound_id": "LB-5D2F7B262524", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2Cl)CC1"}, {"compound_id": "LB-2D3A17D97E13", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)CC1"}, {"compound_id": "LB-B764CF8D7D35", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(CCO)CC4)cc3)ncc2Cl)CC1"}, {"compound_id": "LB-D1357C4A39C3", "smiles": "C=CC(=O)N1CCC(Oc2nc(Nc3ccc(CN4CCC(CO)CC4)cc3)ncc2Cl)CC1"}, {"compound_id": "LB-2A9E74BAA644", "smiles": "CCC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)CC1"}, {"compound_id": "LB-F8F031242189", "smiles": "CC(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1"}, {"compound_id": "LB-9902BEC2478B", "smiles": "CN1CCN(C(C)(C)/C=C(\\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1"}, {"compound_id": "LB-CD568A3EB489", "smiles": "CC(C)(/C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CCOCC1"}, {"compound_id": "LB-5E5B52FBBBCF", "smiles": "Cc1ccc(-c2c(CN3CCCCC3)nc3scc(C(=O)O)n23)cc1"}, {"compound_id": "LB-8C11A24C90C7", "smiles": "CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12"}, {"compound_id": "LB-95C6F46A0232", "smiles": "CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12"}, {"compound_id": "LB-02D29E1E4BD8", "smiles": "Cc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1"}, {"compound_id": "LB-74F1D82FA4CC", "smiles": "COc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1"}, {"compound_id": "LB-6F8300E7C2E0", "smiles": "NNC(=O)c1csc2nc(CN3CCOCC3)c(-c3ccc(Br)cc3)n12"}, {"compound_id": "LB-9B57B3FE2C25", "smiles": "NNC(=O)/C=C1/Nc2ccc(Br)cc2NC1=O"}, {"compound_id": "LB-FB57C60C49F6", "smiles": "COC(=O)CCc1nc2ccc(Br)cc2[nH]c1=O"}, {"compound_id": "LB-86981A475FB6", "smiles": "COC(=O)CCc1nc2ccc(Cl)cc2[nH]c1=O"}, {"compound_id": "LB-35A95A484B33", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CCS(C)(=O)=O)CC2)CC1"}, {"compound_id": "LB-4525208561DA", "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"}, {"compound_id": "LB-1BB2A8F21A33", "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"}, {"compound_id": "LB-EEA1FE5418CF", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"}, {"compound_id": "LB-CF9DC415C321", "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"}, {"compound_id": "LB-15A46176ADC6", "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"}, {"compound_id": "LB-45CC7554D56A", "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"}, {"compound_id": "LB-2F3B57900096", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(CC(=O)NCCNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)ncc2C(F)(F)F)c1"}, {"compound_id": "LB-83633AE78C95", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccn4ncnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CC)CC2)CC1"}, {"compound_id": "LB-BD3FB2A47563", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccn4ncnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCOCC2)CC1"}, {"compound_id": "LB-E3FFF51F6660", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4ncnn4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CC(COC)C2)CC1"}, {"compound_id": "LB-414C626602F9", "smiles": "CCOC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6ncnn6c5P(C)(C)=O)n4)cc3CC)CC2)C1"}, {"compound_id": "LB-28E530A8A269", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCO4)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"}, {"compound_id": "LB-9F00473A4DFE", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"}, {"compound_id": "LB-92E964C41C90", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCCN(C)CC2)CC1"}, {"compound_id": "LB-36C7D204C318", "smiles": "COc1cc(N2CCC(N3CC(N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1"}, {"compound_id": "LB-5C12725B2167", "smiles": "CCOC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6nccnc6c5P(C)(C)=O)n4)cc3C)CC2)C1"}, {"compound_id": "LB-AE45320F10B7", "smiles": "COCC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"}, {"compound_id": "LB-2A3F26E4AA28", "smiles": "COc1cc(N2CCC(N3CC(N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"}, {"compound_id": "LB-A959F77DFA73", "smiles": "CCOC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"}, {"compound_id": "LB-4ED359B1A237", "smiles": "COc1cc(N2CCC(N3CCCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"}, {"compound_id": "LB-490E136E8E4D", "smiles": "COc1cc(N2CCC(N3CCCOCC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"}, {"compound_id": "LB-2382832457FA", "smiles": "CCO[C@@H]1CCN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"}, {"compound_id": "LB-B0B839BA5E58", "smiles": "COc1cc(N2CCC(N3CC[C@H](N(C)C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)(C)=O)OCCO3)n1"}, {"compound_id": "LB-9FD8D4CF01B7", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(N(C)C)C2)CC1"}, {"compound_id": "LB-38447BBBBA20", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(CC#N)C2)CC1"}, {"compound_id": "LB-53A2D9441F2F", "smiles": "CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3P(C)(C)=O)OCCO4)n2)c(OC)cc1N1CCC(N2CC(COC)C2)CC1"}, {"compound_id": "LB-BB95803BAE7C", "smiles": "CCN(C)C1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1"}, {"compound_id": "LB-55C9EB73976C", "smiles": "O=C(Nc1nccs1)C(c1cc[nH]n1)N1Cc2ccccc2C1=O"}, {"compound_id": "LB-AB2821E42DB5", "smiles": "O=C(Nc1nccs1)C(c1n[nH]c2c1CCC2)N1Cc2ccccc2C1=O"}, {"compound_id": "LB-42029368AADC", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccccc2C1=O"}, {"compound_id": "LB-E3CB90C5D2CD", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(Cl)cccc2C1=O"}, {"compound_id": "LB-3BCE599FDEFD", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3ccccc3)cc2C1=O"}, {"compound_id": "LB-A0828ACF1E26", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3cccnc3)cc2C1=O"}, {"compound_id": "LB-F214BEE314AA", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3cccnc3)cc2C1=O"}, {"compound_id": "LB-8FF211312299", "smiles": "Nc1ccc(C#Cc2cc(F)c3c(c2)C(=O)N(C(C(=O)Nc2nccs2)c2ncn4c2CCC4)C3)cn1"}, {"compound_id": "LB-B004DB13B5C6", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3ccc(CN4CCCCC4)cc3)cc2C1=O"}, {"compound_id": "LB-F553D7C26AE3", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3ccc(CN4CCCCC4)cc3)cc2C1=O"}, {"compound_id": "LB-A827DDC54B87", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2ccc(C#Cc3ccc(CN4CCC(O)CC4)cc3)cc2C1=O"}, {"compound_id": "LB-B08ED072BAD5", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3ccc(CN4CCC(O)CC4)cc3)cc2C1=O"}, {"compound_id": "LB-3F8D858EB54A", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C1=O"}, {"compound_id": "LB-688EBEBC064B", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)(F)F)C1=O"}, {"compound_id": "LB-23E78EA87AC2", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)F)C1=O"}, {"compound_id": "LB-287424F61FF5", "smiles": "CC1(C)CCc2c(C(C(=O)Nc3nccs3)N3Cc4c(cc(C#Cc5ccc(CN6CCC(CO)CC6)cc5)cc4C(F)F)C3=O)ncn21"}, {"compound_id": "LB-7D7D11E29CAF", "smiles": "CCN1CCN(c2ccc(-c3cc(F)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3)cc2)CC1"}, {"compound_id": "LB-EF1D2D1C14F6", "smiles": "CCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5CCC6)nc4c3Cl)cc2)CC1"}, {"compound_id": "LB-D5E8F748FEA8", "smiles": "CCN1CCN(c2ccc(-c3cc(Cl)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3Cl)cc2)CC1"}, {"compound_id": "LB-596D197240E0", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCN(C5CC5)CC4)cc3)c(Cl)c2n1"}, {"compound_id": "LB-1EF7B831CD58", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)cc3)c(Cl)c2n1"}, {"compound_id": "LB-17043C3309FF", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)cc3)c(Cl)c2n1"}, {"compound_id": "LB-A5A58AEBF785", "smiles": "Cc1c(-c2ccc(N3CCOCC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)nc12"}, {"compound_id": "LB-D465CCC28D8D", "smiles": "Cc1c(-c2ccc(N3CCOCC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12"}, {"compound_id": "LB-3BDE0C531744", "smiles": "O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(F)cc(C#Cc3ccc(CN4CCC(O)CC4)cc3)cc2n1"}, {"compound_id": "LB-BF6406F35704", "smiles": "Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)nc12"}, {"compound_id": "LB-7BB1F89C52FE", "smiles": "Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12"}, {"compound_id": "LB-A9504D90F935", "smiles": "C=CC(=O)N1CCC(N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1"}, {"compound_id": "LB-06FEFD9A235C", "smiles": "CN(C)CCN(C)c1ccc(Nc2ncc3cc(CNc4ccccc4)n(C4CCCC4)c3n2)cc1"}, {"compound_id": "LB-903F8B07CCCF", "smiles": "CN1CCN(c2ccc(Nc3ncc4cc(CNc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1"}, {"compound_id": "LB-BE61D6D92E5F", "smiles": "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc2cc(CNc3ccccc3)n(C3CCCC3)c2n1"}, {"compound_id": "LB-40FAA85887E0", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2cc(CNc3ccccc3)n(C3CCCC3)c2n1"}, {"compound_id": "LB-C31A6FB7CE81", "smiles": "C#Cc1cccc(Oc2ncnc3ccc(OCc4ccc(S(=O)(=O)N(C)C#C)cc4)cc23)c1"}, {"compound_id": "LB-D57BF83BE308", "smiles": "O=C(Cc1ccccc1)Nc1cccc(-c2nc3n(c2-c2ccnc(Nc4ccc(N5CCOCC5)cc4)n2)CCS3)c1"}, {"compound_id": "LB-CC35B8B34EC4", "smiles": "CCc1ccc(Cn2cc(-c3cc(-c4ccc(Br)cc4)nc(N)n3)c3ccccc32)cc1"}, {"compound_id": "LB-B25F24D7AAA9", "smiles": "CC(C)c1ccc(Cn2cc(-c3cc(-c4ccc(Br)cc4)nc(N)n3)c3ccccc32)cc1"}, {"compound_id": "LB-4AFB4E471E08", "smiles": "Nc1nc(-c2ccc(Br)cc2)cc(-c2cn(Cc3cccc(Cl)c3)c3ccccc23)n1"}, {"compound_id": "LB-4AB289D4F7A8", "smiles": "C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN(C)C)NCN=C2Nc1ccc(Br)cc1F"}, {"compound_id": "LB-BD66E9E017DD", "smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2cc1NC(=O)/C=C/c1cccnc1"}, {"compound_id": "LB-B837A5B3D48C", "smiles": "COc1cc2c(cc1OC)C(Oc1cccc(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)c1)=NCN2"}, {"compound_id": "LB-C1D1936A1BB4", "smiles": "COc1cc2c(cc1OC)C(Sc1cccc(NC(=S)Nc3ccc(Br)c(C(F)(F)F)c3)c1)=NCN2"}, {"compound_id": "LB-DF2925B8F3B2", "smiles": "COc1ccc(CCOc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)cc2OC)cc1OC"}, {"compound_id": "LB-323E7BE3BF3B", "smiles": "C=CC(=O)N1CCC([C@@H]2CCNC3C(C(N)=O)C(c4ccc(Oc5ccccc5)cc4)=NN32)CC1"}, {"compound_id": "LB-2155FF8BD2BA", "smiles": "COc1cc(/C=C/S(=O)(=O)c2ccccc2)cc(OC)c1OC"}, {"compound_id": "LB-ECAD8BA061BE", "smiles": "O=C(Cc1csc2nc3ccccc3n12)Nc1cccc(O)c1"}, {"compound_id": "LB-8C913C8304D0", "smiles": "CCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1"}, {"compound_id": "LB-DA92BCE017D1", "smiles": "O=C(Cc1cccs1)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1"}, {"compound_id": "LB-0A6469D3C262", "smiles": "O=c1c2cccc(O)c2oc2cccc(O)c12"}, {"compound_id": "LB-245E3BEBCC58", "smiles": "COc1ccc(-c2cc(=O)cc(-c3ccc(OC)cc3)o2)cc1"}, {"compound_id": "LB-ED67E29AE9AF", "smiles": "CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1"}, {"compound_id": "LB-E64D927F8652", "smiles": "COc1cccc2c1C(=O)C1=C(C2=O)c2c(O)cc(CO)cc2[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-71C9AE15228A", "smiles": "COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN1CCC[C@H]1C(=O)O"}, {"compound_id": "LB-FB8BBFAE2F1A", "smiles": "COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](Cc1c[nH]cn1)C(=O)O"}, {"compound_id": "LB-0D7E9D1006D1", "smiles": "COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NNC(=O)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"}, {"compound_id": "LB-9D90F36CFE1D", "smiles": "CCOC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"}, {"compound_id": "LB-1FA5D49F3F28", "smiles": "CCOC(=O)[C@H](Cc1c[nH]cn1)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"}, {"compound_id": "LB-1022668A32CF", "smiles": "CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC(=O)NNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC"}, {"compound_id": "LB-41CFACC293A5", "smiles": "Brc1cccc(Nc2ncnc3c2[nH]c2ccccc23)c1"}, {"compound_id": "LB-8F797B2DCC78", "smiles": "COc1ccc(/C=C\\C(=O)c2ccc(Br)c3cc(-c4ccc(F)cc4)oc23)cc1"}, {"compound_id": "LB-7BF9ECD8D674", "smiles": "O=C(/C=C\\c1ccc(OC(F)(F)F)cc1)c1ccc(Br)c2cc(-c3ccc(F)cc3)oc12"}, {"compound_id": "LB-829FB5EEA180", "smiles": "O=C(CCCCn1cc(-c2ccc3ncnc(Nc4ccccc4F)c3c2)nn1)NO"}, {"compound_id": "LB-CF59533C6528", "smiles": "COc1ccc2c(c1)CCCN2c1nc(C)nc2c(Cc3ccccc3)cn(C)c12"}, {"compound_id": "LB-DAB2A8A4061F", "smiles": 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"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"}, {"compound_id": "LB-0303890C3CEF", "smiles": "Nc1ccc2ncnc(Nc3ccc4c(c3)CCC4)c2c1"}, {"compound_id": "LB-0F5AD60E8F2D", "smiles": "Nc1ccc2ncnc(Nc3cccc4c3CCCC4)c2c1"}, {"compound_id": "LB-8C1C862AA98B", "smiles": "Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1"}, {"compound_id": "LB-483CDE030D19", "smiles": "Nc1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1"}, {"compound_id": "LB-31BE52D6649B", "smiles": "Nc1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1"}, {"compound_id": "LB-832523D2CEC1", "smiles": "Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1"}, {"compound_id": "LB-C37F75215949", "smiles": "Nc1ccc2ncnc(Nc3ccc4cc[nH]c4c3)c2c1"}, {"compound_id": "LB-5DB4E4EE36C2", "smiles": "Nc1ccc2ncnc(Nc3cccc4cc[nH]c34)c2c1"}, {"compound_id": "LB-4297FE90231E", "smiles": "Cn1ccc2cc(Nc3ncnc4ccc(N)cc34)ccc21"}, {"compound_id": "LB-0225F6340C13", "smiles": "CCCn1ccc2cc(Nc3ncnc4ccc(N)cc34)ccc21"}, {"compound_id": "LB-38BC44085C58", "smiles": "C=CCn1ccc2cc(Nc3ncnc4ccc(N)cc34)ccc21"}, {"compound_id": "LB-B296C3047790", "smiles": "Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(F)c4)c3)c2c1"}, {"compound_id": "LB-17CFAA1EF9A3", "smiles": "Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(Cl)c4)c3)c2c1"}, {"compound_id": "LB-586AF6DE777A", "smiles": "Cc1cc2cc(Nc3ncnc4ccc(N)cc34)ccc2[nH]1"}, {"compound_id": "LB-CF9D1CF73BA6", "smiles": "Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1"}, {"compound_id": "LB-0DADAA4B9502", "smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1"}, {"compound_id": "LB-93BF0CBB8A0D", "smiles": "O=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1"}, {"compound_id": "LB-B2ED876C43E1", "smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(F)c4)c3)c2c1"}, {"compound_id": "LB-86BD26086F1E", "smiles": "O=C(CCCCl)Nc1ccc2ncnc(Nc3ccc4c(ccn4Cc4cccc(F)c4)c3)c2c1"}, {"compound_id": "LB-1B84851C4CAE", "smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1"}, {"compound_id": "LB-40735758EC9A", "smiles": "O=C(CCCl)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1"}, {"compound_id": "LB-F440D787290F", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccn2ccnc2c1"}, {"compound_id": "LB-7194E3C1A197", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccn2ncnc2c1"}, {"compound_id": "LB-C47E62634097", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccc2nccn2c1"}, {"compound_id": "LB-CB608DC31928", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cnc2ccnn2c1"}, {"compound_id": "LB-A61FDFE19FFE", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nccn2cn1"}, {"compound_id": "LB-512CC22FD59C", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1ccn2cnnc2c1"}, {"compound_id": "LB-3C0692577CEA", "smiles": "CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C\\[C@H]1CCCN1C"}, {"compound_id": "LB-74D569B6C8F6", "smiles": "Cc1cc(Nc2ncnc3cc(O)c(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cnn2cnnc2c1"}, {"compound_id": "LB-FDC349B38331", "smiles": "CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C/[C@@H]1CCCN1C"}, {"compound_id": "LB-B4D3B0F75664", "smiles": "CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C\\[C@@H]1CCCN1C"}, {"compound_id": "LB-70727FB24FDF", "smiles": "C=C(F)C(=O)Nc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC"}, {"compound_id": "LB-77624A626341", "smiles": "CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C(F)=C/[C@H]1CCCN1C"}, {"compound_id": "LB-BF0DC78AF99A", "smiles": "CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C"}, {"compound_id": "LB-4B105BB9CE00", "smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1OCC"}, {"compound_id": "LB-552372F2B6C8", "smiles": "Cc1cc(Nc2c(C#N)cnc3ccc(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1"}, {"compound_id": "LB-77E1553CF614", "smiles": "Cc1cc(Nc2ncnc3ccc(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2nncn2cn1"}, {"compound_id": "LB-F877A181477C", "smiles": "Cc1cc(Nc2c(C#N)cnc3ccc(NC(=O)/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1"}, {"compound_id": "LB-B76602401FCC", "smiles": "Cc1cc(Nc2ncnc3ccc(NC(=O)/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1"}, {"compound_id": "LB-E8EA6BCC13BF", "smiles": "COCC(=O)NC/C=C/c1ccc2ncc(C#N)c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1"}, {"compound_id": "LB-7D89BD9A0260", "smiles": "COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1"}, {"compound_id": "LB-8630369A4181", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(S(C)(=O)=O)c3ccccc23)n1"}, {"compound_id": "LB-5B3AC667AB67", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1"}, {"compound_id": "LB-477A25DC1E37", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(C(C)=O)c3ccccc23)n1"}, {"compound_id": "LB-E5D8C3930260", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-A14EA53F5CC3", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)C3CC3)c3ccccc23)n1"}, {"compound_id": "LB-00AFA4A13FB3", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)C(C)C)c3ccccc23)n1"}, {"compound_id": "LB-AFFB994EFD94", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3cc(Cl)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-202797886863", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-01870B53D19B", "smiles": "CCc1cc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)CC)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1"}, {"compound_id": "LB-7C76C27FC15A", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3cc(C(C)C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-8FA0AD180CDF", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3cc(Cl)c(N4CCC(N5CCN(C)CC5)CC4)cc3C)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-5050D2D77217", "smiles": "CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Cl)c(-c2cn(S(=O)(=O)CC)c3ccccc23)n1"}, {"compound_id": "LB-33EF6C69CFA4", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3cc(Cl)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC(C)C)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-3AD4411F34C5", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(Cl)c3)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-165BCF2C5458", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-BFA1652629C4", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-62A07A23CB91", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-7602DCD6EFE5", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-6B2289C0ABBC", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(F)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-9EAC2123D2E0", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(Cl)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-27E25B23BFC9", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-07E7579C31F8", "smiles": "CCc1cc(N2CCOCC2)c2cc1Nc1ncc(Cl)c(n1)-c1cn(S(=O)(=O)CC)c3cc(ccc13)OCCCCCCO2"}, {"compound_id": "LB-4B5A212325E0", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C3CC3)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-7C1CBC76D5A4", "smiles": "CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCCCOc1cc(c(C3CCCC3)cc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-4AFE377BB5EB", "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"}, {"compound_id": "LB-B6E3922A4AE6", "smiles": "CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12"}, {"compound_id": "LB-0B54682AD59E", "smiles": "N#Cc1c(NC(=O)CNc2n[nH]c3ncccc23)sc2c1CCCC2"}, {"compound_id": "LB-3E88CF3B54AE", "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"}, {"compound_id": "LB-DF0E435A239A", "smiles": "C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"}, {"compound_id": "LB-070C6920B29D", "smiles": "C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"}, {"compound_id": "LB-DFE1F4A46A5C", "smiles": "C=CC(=O)N1CCCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"}, {"compound_id": "LB-17051C43C5C0", "smiles": "C=CC(=O)N1CCCCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cccc1c2"}, {"compound_id": "LB-2CF28A4D6852", "smiles": "C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2OC"}, {"compound_id": "LB-81EB8F536963", "smiles": "C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2OC"}, {"compound_id": "LB-0C8722030E3F", "smiles": "C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2F"}, {"compound_id": "LB-3E20CC1CA9D8", "smiles": "C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1ccc2F"}, {"compound_id": "LB-F9B21AD4EBDE", "smiles": "C=CC(=O)N1CCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1c(OCCCF)cc2F"}, {"compound_id": "LB-110CF6962F4B", "smiles": "C=CC(=O)N1CCCCCCCn2cc(c3ccccc32)-c2ccnc(n2)Nc2cc1c(OCCCF)cc2F"}, {"compound_id": "LB-46B036D9B115", "smiles": "COc1cc2ncnc(Nc3ccc(O[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O)c(Cl)c3)c2cc1OC"}, {"compound_id": "LB-00E5BB1607C4", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)OCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-A7C0B80D0908", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-22548598BBFB", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn4c5c(cccc35)OCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-D650A4CD513E", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-D3E3E54DE826", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-7BD46D0BCC8F", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-7D9F9EBA3135", "smiles": "C#Cc1cnc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)nc1-c1cn2c3c(cccc13)CCC2"}, {"compound_id": "LB-E463638918A5", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)CC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-403DCF2856F3", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-6AFBAF06C07E", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OCC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-ECBA42242503", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-10DC826AF940", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)NC)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-1D9F65DE4C39", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(-c3ncco3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-14410EFD67C3", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(-c3nnco3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-DC099F8F33D9", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(-c3nc(C)no3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-9FFDC13329FC", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(-c3ccnn3C)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-DD3FD93FF670", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(-c3cnn(C)c3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-AF016D43615D", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(-c3cnn(C(C)C)c3)c(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-582650386C9C", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-D491FAB7FAA7", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OCC)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-DA0BCED733A8", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-5B608F2BAC15", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC3CCC3)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-55DF7B2F51BA", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(CC)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-C5CA2401BFCD", "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"}, {"compound_id": "LB-BBF547BAED2F", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)C[C@H]1CCCN1C"}, {"compound_id": "LB-4899184EE5BF", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)C[C@@H]1CCCN1C"}, {"compound_id": "LB-84CE54B5CB25", "smiles": "Fc1ccc(Nc2ncnc3ccc4c(c23)OCCN4)cc1Cl"}, {"compound_id": "LB-49ADC15EE3E9", "smiles": "Brc1cccc(Nc2ncnc3ccc4c(c23)OCCN4)c1"}, {"compound_id": "LB-E733D04444A2", "smiles": "FC(F)(F)c1cccc(Nc2ncnc3ccc4c(c23)OCCN4)c1"}, {"compound_id": "LB-B169648BF2CA", "smiles": "CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(F)c(Cl)c3)c21"}, {"compound_id": "LB-88C676444007", "smiles": "CC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(Br)c3)c21"}, {"compound_id": "LB-EC23DB81F980", "smiles": "CC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(C(F)(F)F)c3)c21"}, {"compound_id": "LB-4D19E56D5E1D", "smiles": "CCC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(F)c(Cl)c3)c21"}, {"compound_id": "LB-E82303DF618C", "smiles": "CCC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(Br)c3)c21"}, {"compound_id": "LB-815084FB27E6", "smiles": "CCC(=O)N1CCOc2c1ccc1ncnc(Nc3cccc(C(F)(F)F)c3)c21"}, {"compound_id": "LB-80761D573A94", "smiles": "CN1CCN(CCC(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1"}, {"compound_id": "LB-4A19046CA969", "smiles": "CN1CCN(CCC(=O)N2CCOc3c2ccc2ncnc(Nc4cccc(Br)c4)c32)CC1"}, {"compound_id": "LB-79897D8DC24F", "smiles": "CN1CCN(CCC(=O)N2CCOc3c2ccc2ncnc(Nc4cccc(C(F)(F)F)c4)c32)CC1"}, {"compound_id": "LB-C8E741CBA515", "smiles": "COCCOc1cc2ncnc(Nc3cccc(Cl)c3)c2c2c1OC(COC)CO2"}, {"compound_id": "LB-2EEA6ED5F92B", "smiles": "Cc1nnc2n1N=C(c1ccccc1OCCNCCCNCCOc1ccccc1C1=Nn3c(C)nnc3SC1)CS2"}, {"compound_id": "LB-41398F53023A", "smiles": "CCOc1ccc2nc(NC(=O)CSc3nnc(Cc4c[nH]c5ccccc45)o3)sc2c1"}, {"compound_id": "LB-9687B691BE59", "smiles": "C=CC(=O)N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1"}, {"compound_id": "LB-49C49F23D418", "smiles": "N#C/C(=C/C(=O)N1CCC[C@@H](n2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)C1)C1CC1"}, {"compound_id": "LB-5B0A3A055616", "smiles": "C=CC(=O)N1CCC[C@H](n2nc(C(=O)c3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1"}, {"compound_id": "LB-1BF8FBE93BC4", "smiles": "COc1cccc(-c2cn(-c3ccc(CCN4CCC(O)CC4)cc3)c3ncnc(N)c23)c1"}, {"compound_id": "LB-15F4EEC5C84B", "smiles": "N=C1N=C(NCCS(=O)(=O)O)/C(=C/C(O)CNC(=O)c2cc(Br)c(Br)[nH]2)N1"}, {"compound_id": "LB-544F4F85F0C3", "smiles": "N=C1N=C(NCCS(=O)(=O)O)/C(=C/C(O)CNC(=O)c2cc(Br)c[nH]2)N1"}, {"compound_id": "LB-1A3DCFEB3435", "smiles": "COc1cc2c(Nc3ccc(-c4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-8CE744206480", "smiles": "COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-0988ECAB9D1F", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-A4B10250F547", "smiles": "COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-25A3162F89E1", "smiles": "COc1cc2c(Nc3ccc([S+]([O-])c4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-922532D89F0B", "smiles": "COc1cc2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-0F70A0FDD8DC", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccn4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-A18AD3421441", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)cc3F)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-905BECB66342", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)cc3Br)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-803F892953E3", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)cc3C)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-9DEC55C1BD0A", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)c(Cl)c3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-B4A028036BCB", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)c(Br)c3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-8F5871D43E76", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4)c(C)c3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-57DF49E6E812", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4F)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-BA3A1647E437", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4Cl)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-CBD148EEEE0A", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4Br)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-244A6D9BCE96", "smiles": "COc1cc2c(Nc3ccc(Oc4ccccc4C)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-4D484218F0FE", "smiles": "COc1cc2c(Nc3ccc(Oc4cccc(F)c4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-88C792C7C800", "smiles": "COc1cc2c(Nc3ccc(Oc4cccc(Cl)c4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-E9EB32C09057", "smiles": "COc1cc2c(Nc3ccc(Oc4cccc(C)c4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-7211228DB075", "smiles": "COc1cc2c(Nc3ccc(Oc4ccc(F)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-8F31D537E85D", "smiles": "COc1cc2c(Nc3ccc(Oc4ccc(Cl)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-B75384F98608", "smiles": "COc1cc2c(Nc3ccc(Oc4ccc(Br)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-672E317DD808", "smiles": "COc1cc2c(Nc3ccc(Oc4ccc(C)cc4)cc3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-4215FF6D1153", "smiles": "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC"}, {"compound_id": "LB-CDE1C4E0BE6F", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1"}, {"compound_id": "LB-9386B7EF9974", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nn32)CC1"}, {"compound_id": "LB-DF62147CF90E", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(Cl)c4)nn32)CC1"}, {"compound_id": "LB-1F0E89000A18", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(O)c4)nn32)CC1"}, {"compound_id": "LB-7B34D3C62F1D", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-9A6179835BEB", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Oc5ccccc5)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-FCDEBE63647A", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(C)c(C)c(C)c4)nn32)CC1"}, {"compound_id": "LB-C67CD7CCA436", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Cl)c(Cl)c4)nn32)CC1"}, {"compound_id": "LB-73B79D6DC96B", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Br)c(Cl)c4)nn32)CC1"}, {"compound_id": "LB-3528D24E138E", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(Br)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-A7EA183D311B", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Br)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-2C8EC65136A5", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Cl)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-E6A40B573A26", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-C2988C941294", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CCCC5)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-780612374D77", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5ccoc5c4)nn32)CC1"}, {"compound_id": "LB-7B0EEBD3BE29", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5ccsc5c4)nn32)CC1"}, {"compound_id": "LB-818AFAC982F8", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(C)csc5c4)nn32)CC1"}, {"compound_id": "LB-F9BB3E19D7C6", "smiles": "C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(c4)OCC5(C)C)nn32)CC1"}, {"compound_id": "LB-A487E409EAE7", "smiles": "C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(Br)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-DBEB8C913B95", "smiles": "C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-193E68880D60", "smiles": "C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1"}, {"compound_id": "LB-F48F9A326050", "smiles": "C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(C)c(OC)c3)nn21"}, {"compound_id": "LB-231F940DC365", "smiles": "C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(C4CC4)c(OC)c3)nn21"}, {"compound_id": "LB-0AB494B1FC6F", "smiles": "CC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1"}, {"compound_id": "LB-E80205856C7C", "smiles": "C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1"}, {"compound_id": "LB-47860128D905", "smiles": "C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1"}, {"compound_id": "LB-D503B6EB06C5", "smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@H]2CCOC2)CC1"}, {"compound_id": "LB-93C40FB47957", "smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O[C@@H]2CCOC2)CC1"}, {"compound_id": "LB-42FFCBB1B374", "smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OCC2CCOC2)CC1"}, {"compound_id": "LB-995CD224517B", "smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC2CCOCC2)CC1"}, {"compound_id": "LB-919D38E1AF9A", "smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC[C@@H]2CCCN2C)CC1"}, {"compound_id": "LB-928AF1EFD2D1", "smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC[C@H]2CCCN2C)CC1"}, {"compound_id": "LB-BEE8FED94F7B", "smiles": 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{"compound_id": "LB-5271504BFB1D", "smiles": "C=CC(=O)Nc1cc(-c2cn(C)c3ccccc23)ccn1"}, {"compound_id": "LB-5BECBB962AC3", "smiles": "C=CC(=O)Nc1cc(-c2cn(C)c3ccccc23)ncn1"}, {"compound_id": "LB-CC6944A6A67B", "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"}, {"compound_id": "LB-374F0D495789", "smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"}, {"compound_id": "LB-AC306D4CDCBF", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNCCO)c(-c3ccccc3)n2)n1"}, {"compound_id": "LB-72B3477B81EB", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(C)CO)c(-c3ccccc3)n2)n1"}, {"compound_id": "LB-C571EBB6E598", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2cc(CNC(CO)C(C)C)c(-c3ccccc3)n2)n1"}, {"compound_id": "LB-ECBA417ED6BE", "smiles": 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"CCS(=O)(=O)n1cc(-c2nc(Nc3ccc4c(cnn4CCN(C)C)c3)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-6B95EAAD6C4F", "smiles": "CN(C)CCn1ncc2cc(Nc3ncc([N+](=O)[O-])c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21"}, {"compound_id": "LB-FFBD79ACE258", "smiles": "CCS(=O)(=O)n1cc(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)c2ccccc21"}, {"compound_id": "LB-1927DF6C55B4", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3ccc4c(ccn4CCN(C)C)c3)ncc2Cl)c2ccccc21"}, {"compound_id": "LB-D41CAAD72A11", "smiles": "CN(C)CCn1ncc2cc(Nc3ncc(C(F)(F)F)c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21"}, {"compound_id": "LB-4BA1AB99C998", "smiles": "CCS(=O)(=O)n1cc(-c2nc(Nc3ccc4c(ccn4CCN(C)C)c3)ncc2C(F)(F)F)c2ccccc21"}, {"compound_id": "LB-E8A1E37FDCFC", "smiles": "CN(C)CCn1ccc2cc(Nc3ncc([N+](=O)[O-])c(-c4cn(C)c5ccccc45)n3)ccc21"}, {"compound_id": "LB-6ED1AA10A977", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-c4c[nH]c5ccccc45)n3)cc(N)c21"}, {"compound_id": "LB-E255E0AFECA1", "smiles": "COc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1"}, {"compound_id": "LB-909127FF06B7", "smiles": "CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(O)cc3)cc12"}, {"compound_id": "LB-9BB0D3C11465", "smiles": "COCCOc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1"}, {"compound_id": "LB-7495413DB4F9", "smiles": "COCCOCCOCCOc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1"}, {"compound_id": "LB-E789CF1B0891", "smiles": "CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)c(F)c3)cc12"}, {"compound_id": "LB-FCFAD9BC790D", "smiles": "CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(F)c(CO)c3)cc12"}, {"compound_id": "LB-43FFAC8A8987", "smiles": "CN(C)CCNCc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1F"}, {"compound_id": "LB-66CAB20D10DD", "smiles": "CN(C)CCNCc1cc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)ccc1F"}, {"compound_id": "LB-98CBF7227D40", "smiles": "OCc1ccc(-c2cc3c(NCc4ccccc4)ncnc3[nH]2)cc1"}, {"compound_id": "LB-732630908B80", "smiles": "CCN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-910322F856F6", "smiles": "CC(C)N(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-06559897997B", "smiles": "C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)c1ccccc1"}, {"compound_id": "LB-5CFE3FDA2C76", "smiles": "C[C@H](c1ccccc1)N(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-589D96683072", "smiles": "[2H]C([2H])([2H])N(Cc1ccccc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-DA7B0FFC368D", "smiles": "Cc1ccccc1CN(C)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-1B74BB117240", "smiles": "Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)c1"}, {"compound_id": "LB-2B3969A79102", "smiles": "Cc1ccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)cc1"}, {"compound_id": "LB-3FAD9889F593", "smiles": "CN(Cc1ccccn1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-0248F253327A", "smiles": "CN(Cc1ccncc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-6C158A49844D", "smiles": "Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)n1"}, {"compound_id": "LB-9EC047D699C6", "smiles": "CN(Cc1ccccc1F)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12"}, {"compound_id": "LB-C5D6B6FD3597", "smiles": 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"C=CC(=O)N1CC[C@@H](N2N=C(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)C1"}, {"compound_id": "LB-E9634E6F7238", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)N1CC(C(C)(C)O)C1"}, {"compound_id": "LB-FC2BCF0CF316", "smiles": "CC(C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)N1CC(C(C)(C)O)C1"}, {"compound_id": "LB-9343D8F22C0E", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)N(C)C"}, {"compound_id": "LB-31DC9DED032B", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NC"}, {"compound_id": "LB-61AED92EEDAA", "smiles": "CCC(=O)c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1N[C@@H](C)CC"}, {"compound_id": "LB-C97C86ACF8E7", "smiles": "CCNC(=O)c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1N[C@@H](C)CC"}, {"compound_id": "LB-73407945D784", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NC1CCOCC1"}, {"compound_id": "LB-B6BDCEF6ADBC", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCN(C)C"}, {"compound_id": "LB-5B1307C18508", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCCF"}, {"compound_id": "LB-19C5F60393E0", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCC(F)F"}, {"compound_id": "LB-355229785F4A", "smiles": "CCNS(=O)(=O)c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1N[C@@H](C)CC"}, {"compound_id": "LB-60D4C11F7386", "smiles": "c1ccc2c(c1)CCN2c1ncnc2cc3c(cc12)NCN3CCN1CCCC1"}, {"compound_id": "LB-8F5B159D09C9", "smiles": "O=C(N/N=C/c1cnc(N2CCCC2)nc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1"}, {"compound_id": "LB-BD1B7F26065F", "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"}, {"compound_id": "LB-E239BB9C0649", "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"}, {"compound_id": "LB-6411D33A7CF3", "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"}, {"compound_id": "LB-E33BD89D74B7", "smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\CNc3ccc(F)cc32)c1C"}, {"compound_id": "LB-E20E11AA027E", "smiles": "Cc1nc2c(c(C)c1O)/C(=C/c1ccc3ccccc3n1)C(=O)N2"}, {"compound_id": "LB-028EAB5333BA", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-n4ccnc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-BC5DE449F7A6", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-n4ccnc4-c4ccc(Cl)cc4)n3)ccc21"}, {"compound_id": "LB-23B21A14A5BA", "smiles": "COc1ccc(-c2nccn2-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)cc1"}, {"compound_id": "LB-04273EC556E7", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-n4ccnc4-c4cccc(F)c4)n3)ccc21"}, {"compound_id": "LB-E6E6D0C42B9A", "smiles": "CN1CCN(c2ccc(Nc3nccc(-n4ccnc4-c4ccc(F)cc4)n3)cc2)CC1"}, {"compound_id": "LB-203D615FF236", "smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-n2ccnc2-c2ccc(F)cc2)n1"}, {"compound_id": "LB-DB31A153C74F", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nccc(-n2ccnc2-c2ccc(F)cc2)n1"}, {"compound_id": "LB-FDD290945C1A", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-CA559A44AA18", "smiles": "CNc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-E1CD7D792D93", "smiles": "Cc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-7D3A37630866", "smiles": "CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-4A560588B845", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N5CCOCC5)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-BC2194E8C572", "smiles": "CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-06CD9CC2035B", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(NS(C)(=O)=O)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-0748CB899FBB", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-1397637DC077", "smiles": "CC(C)S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-72FF8BB827F6", "smiles": "CCCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN(C)C)c3)n2)s1"}, {"compound_id": "LB-6A0F9E335A42", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(NS(=O)(=O)c5ccc(F)cc5)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-A9B291870D1C", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(NS(=O)(=O)C5CCCCC5)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-3A6D5B555DE4", "smiles": "CCN(CC)CCn1ccc2cc(Nc3nccc(-c4sc(NS(=O)(=O)CC)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-78268191CD56", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc4c(ccn4CCN4CCOCC4)c3)n2)s1"}, {"compound_id": "LB-4A36D7E14FC3", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)s1"}, {"compound_id": "LB-012DC8CF94E5", "smiles": "CCN1CCN(c2ccc(Nc3nccc(-c4sc(NS(=O)(=O)CC)nc4-c4ccc(F)cc4)n3)cc2)CC1"}, {"compound_id": "LB-CA45EAE8DFB5", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)n2)s1"}, {"compound_id": "LB-B73F1C6DCBAF", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(C4CCN(C)CC4)cc3)n2)s1"}, {"compound_id": "LB-C73ADC0A794F", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)n2)s1"}, {"compound_id": "LB-4188B8D7ED3F", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)s1"}, {"compound_id": "LB-E02CEEFDB29C", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3cc(C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)s1"}, {"compound_id": "LB-55308603E328", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1"}, {"compound_id": "LB-644D11337160", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3OC)n2)s1"}, {"compound_id": "LB-C0F1AAB8D07D", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCOCC4)c(F)c3)n2)s1"}, {"compound_id": "LB-06BF535A4D22", "smiles": "CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3cc(-c4cnn(C)c4)c(N4CCOCC4)cc3OC)n2)s1"}, {"compound_id": "LB-EB3FC1FBEB26", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc5c(ccn5CCN(C)C)c4)n3)s2)CC1"}, {"compound_id": "LB-6E3BC3B92286", "smiles": "CCN(CC)CCn1ccc2cc(Nc3nccc(-c4sc(C5CCN(S(=O)(=O)CC)CC5)nc4-c4ccc(F)cc4)n3)ccc21"}, {"compound_id": "LB-309FD6371FFA", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc5c(ccn5CCN5CCOCC5)c4)n3)s2)CC1"}, {"compound_id": "LB-A992E8D87464", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)s2)CC1"}, {"compound_id": "LB-038750AF9EE8", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)s2)CC1"}, {"compound_id": "LB-81B285DD4BCC", "smiles": "CCN1CCN(c2ccc(Nc3nccc(-c4sc(C5CCN(S(=O)(=O)CC)CC5)nc4-c4ccc(F)cc4)n3)cc2)CC1"}, {"compound_id": "LB-0C07C318781C", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C(C)C)CC5)cc4)n3)s2)CC1"}, {"compound_id": "LB-2167806EE31B", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(C5CCN(C)CC5)cc4)n3)s2)CC1"}, {"compound_id": "LB-AE7369B971B9", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)n3)s2)CC1"}, {"compound_id": "LB-DD90D9C62EF5", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4OC)n3)s2)CC1"}, {"compound_id": "LB-9616354B7F9C", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)s2)CC1"}, {"compound_id": "LB-B4BAFA3E7076", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4OC)n3)s2)CC1"}, {"compound_id": "LB-D525205DE403", "smiles": "CCS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCOCC5)c(F)c4)n3)s2)CC1"}, {"compound_id": "LB-B5AA7B69FE7B", "smiles": "CN(C)CCn1ccc2cc(Nc3nccc(-n4ccc(-c5ccc(F)cc5)n4)n3)ccc21"}, {"compound_id": "LB-41AA9D300988", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)C(C)C)c23)c1"}, {"compound_id": "LB-32D87EED741C", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@@H](C)CO)c23)c1"}, {"compound_id": "LB-F683978307B9", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCO)c23)c1"}, {"compound_id": "LB-C5A86FDAC8AC", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCCO)c23)c1"}, {"compound_id": "LB-AFB0FF2E31A0", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCOC)c23)c1"}, {"compound_id": "LB-7A999ACF52DE", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCC(=O)OCC)c23)c1"}, {"compound_id": "LB-F7C40FC2656B", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCC(=O)O)c23)c1"}, {"compound_id": "LB-FB2402E94BBE", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC)c23)c1"}, {"compound_id": "LB-E9E0B825463B", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N(C)C)c23)c1"}, {"compound_id": "LB-11891283476A", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC(C)C)c23)c1"}, {"compound_id": "LB-5163774B5907", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CC4)c23)c1"}, {"compound_id": "LB-CE1665B81057", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCC4)c23)c1"}, {"compound_id": "LB-3FC61998D864", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-D123AE18E7E1", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCCC4)c23)c1"}, {"compound_id": "LB-50E4CD8C35BA", "smiles": "CN(C)C/C=C/C(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCO)c23)c1"}, {"compound_id": "LB-90026CE48E4C", "smiles": "CN(C)C/C=C/C(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-F9FA84EE835F", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N(C)C)cc3)oc3ncnc(NCCO)c23)c1"}, {"compound_id": "LB-B44E6205EB89", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NCCO)c23)c1"}, {"compound_id": "LB-FA0365096FEF", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NCCO)c23)c1"}, {"compound_id": "LB-24323DF33135", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N(C)CCN(C)C)cc3)oc3ncnc(NCCO)c23)c1"}, {"compound_id": "LB-818A05EA3ECE", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-094B4C0C0AD8", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-32967B0C814E", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1"}, {"compound_id": "LB-CFEE47E170C3", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NC4CCCCC4)c23)c1"}, {"compound_id": "LB-10F23218EB85", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)oc3ncnc(NC)c23)c1"}, {"compound_id": "LB-CCB0CC92753D", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccncc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-41FDB42F37E5", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCOCC4)nc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-376355A50EA3", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)nc3)oc3ncnc(NC4CCCC4)c23)c1"}, {"compound_id": "LB-6DC12A171F5A", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1N1CCOCC1"}, {"compound_id": "LB-8C4BB4B9D838", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1N1CCN(C)CC1"}, {"compound_id": "LB-057AB4BEE34B", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1OCCN(C)C"}, {"compound_id": "LB-E0EA390FF8CE", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1OC1CCN(C)CC1"}, {"compound_id": "LB-9A3C757E9561", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCC4)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-D8C7BB9151DF", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-C95E49AE810D", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NCC)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-D17FFFC4DABA", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC(C)C)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-E4DBEF58DF4B", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NC4CC4)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-894A74CEDB4A", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(NCCO)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-E449100386E2", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4CCC[C@H]4O)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-3CFB06022ABA", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4CCC[C@@H]4O)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-2E99B34B0268", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4C[C@@H](O)C4)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-B1B9ADD8F801", "smiles": "C=CC(=O)Nc1cc(-c2c(-c3ccccc3)oc3ncnc(N[C@H]4C[C@H](O)C4)c23)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-EEC190D6A0E2", "smiles": "C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(NCCOc4ccccc4)c23)c1"}, {"compound_id": "LB-26C0DEBD19C9", "smiles": "C#CCCC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(NC(=O)CCCCc5cc5=O)c4)n3)c(OC)c2)CC1"}, {"compound_id": "LB-488124C0E537", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccc(F)cc23)c1"}, {"compound_id": "LB-38BE611ED8DE", "smiles": 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"C=CC(=O)Nc1cc(Nc2nccc(-c3csc4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-8261F37EDC26", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC"}, {"compound_id": "LB-67BC0D137F7F", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccc(Br)cc1"}, {"compound_id": "LB-1F5C1043EF32", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C(=O)c1ccc(Br)cc1"}, {"compound_id": "LB-8A22AF22817E", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)Cc1ccccc1"}, {"compound_id": "LB-7DFD7E04D5EA", "smiles": "C=CCCN(C)CCN(C)c1cc(OC)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1NC(=O)C=C"}, {"compound_id": "LB-2DF5773CDCB2", "smiles": "O=C1Nc2ccccc2/C1=C/c1ccc(OCC(=O)c2ccc(Br)cc2)cc1"}, {"compound_id": "LB-95052F5C082F", "smiles": "CN1CCCN(c2ccc(Nc3ncc(Br)c(Nc4ccccc4NS(=O)(=O)C4CC4)n3)cc2)CC1"}, {"compound_id": "LB-FE96FA6A1818", "smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(=O)(=O)C3CC3)n2)ccc1N1CCC(N(C)C)CC1"}, {"compound_id": "LB-1C07088E2167", "smiles": "Cc1cc(Nc2ncc(Br)c(Nc3ccccc3NS(=O)(=O)C3CC3)n2)ccc1N1CCCN(C)CC1"}, {"compound_id": "LB-1A1681B064CB", "smiles": "C=CC(=O)Nc1cc2c(Oc3ccc(NC(=O)NCCc4ccc(F)cc4)cc3F)ncnc2cc1OC"}, {"compound_id": "LB-67D8F0E2EC59", "smiles": "COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(OC)c(OC)c2)c(OC)c1"}, {"compound_id": "LB-D50164F53B69", "smiles": "COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1"}, {"compound_id": "LB-2BA487C1D7F3", "smiles": "COc1ccc(NC(=O)C2=C(C)NC(=S)NC2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1"}, {"compound_id": "LB-AA5F23EDBA74", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1"}, {"compound_id": "LB-69CA1E277265", "smiles": "COc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"}, {"compound_id": "LB-6051981EADF7", "smiles": "COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1"}, {"compound_id": "LB-4AD173B2DECE", "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)cc2Br)CC1"}, {"compound_id": "LB-4F0ABDD41FA3", "smiles": "Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)nc(N3CCOCC3)n2)n1"}, {"compound_id": "LB-2B305B6F9DA7", "smiles": "CN(C)c1nc(Cl)nc(NC2=NN(c3ccc(Br)cc3)C(c3ccc(C(F)(F)F)cc3)C2)n1"}, {"compound_id": "LB-06B17BFA094B", "smiles": "CN(C)c1nc(Cl)nc(NC2=NN(c3ccc(C(F)(F)F)cc3)C(c3ccc(C(F)(F)F)cc3)C2)n1"}, {"compound_id": "LB-4BE290BA16D3", "smiles": "O=C1CN(c2nc(Nc3ccccc3[N+](=O)[O-])nc(Nc3ccccc3[N+](=O)[O-])n2)C(=O)S1"}, {"compound_id": "LB-28B4231E174C", "smiles": "O=C1CN(c2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)n2)C(=O)S1"}, {"compound_id": "LB-8071C9CC5A96", "smiles": "Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCCC3)n2)cc1"}, {"compound_id": "LB-0366351962A6", "smiles": "Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1"}, {"compound_id": "LB-526FB166D640", "smiles": "Cc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(N3CCCCC3)n2)cc1"}, {"compound_id": "LB-EFDD7C555AB8", "smiles": "N#Cc1ccc(-c2cn3c(CC(=O)N/N=C/c4ccccc4)csc3n2)cc1"}, {"compound_id": "LB-BBA4430A335B", "smiles": "N#Cc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"}, {"compound_id": "LB-AB6B88B9EE71", "smiles": "N#Cc1ccc(-c2cn3c(CC(=O)N/N=C/c4ccc(O)cc4)csc3n2)cc1"}, {"compound_id": "LB-F38E183ECDBB", "smiles": "Cc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"}, {"compound_id": "LB-2CE2B09E3D43", "smiles": "COc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"}, {"compound_id": "LB-00461B723719", "smiles": "CC(C)(C)c1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(C#N)cc4)cn23)cc1"}, {"compound_id": "LB-7AB1B78F67AE", "smiles": "COc1cc(/C=C/C(=O)c2ccc(OCCCCCC(=O)NO)cc2)cc(OC)c1OC"}, {"compound_id": "LB-89495CE94A9E", "smiles": "CC(C)(C)CC(C)(C)Nc1nc2ccccc2c2c(C#N)c(N)nn12"}, {"compound_id": "LB-B31CD1453D72", "smiles": "CC(C)(C)CC(C)(C)Nc1nc2ccccc2c2c(C(=O)c3ccc(F)cc3)c(N)nn12"}, {"compound_id": "LB-BA053E130B4B", "smiles": "COc1ccc(C(=O)c2c(N)nn3c(NC(C)(C)CC(C)(C)C)nc4ccccc4c23)cc1"}, {"compound_id": "LB-C82EE5674265", "smiles": "COC(=O)c1nn2c(NC(C)(C)C)nc3cc(Cl)ccc3c2c1C(=O)OC"}, {"compound_id": "LB-391D34B23156", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)N(C)C)n(C(C)C)c4c3)n2)ccc1N1CCN(C)CC1"}, {"compound_id": "LB-40718D8C2812", "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"}, {"compound_id": "LB-FF9112097231", "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"}, {"compound_id": "LB-3AFE0BB02D15", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)c(OC)cc1N1CCN(C)CC1"}, {"compound_id": "LB-5D50F492B2D8", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)ccc1N1CCN(C)CC1"}, {"compound_id": "LB-E5474184850D", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)ccc1N1CCN(C(C)C)CC1"}, {"compound_id": "LB-E6402A3541E3", "smiles": "C=CC(=O)Nc1cc(Nc2ncc(F)c(-c3ccc4cc(C(=O)NC)n(C(C)C)c4c3)n2)ccc1N(C)CCN(C)C"}, {"compound_id": "LB-A36531041AAD", "smiles": "NC(=S)N1N=C(c2ccccc2)CC1/C=C/c1ccccc1"}, {"compound_id": "LB-06874026CB7F", "smiles": "O=C1NC(c2ccc(OCc3ccc(Cl)cc3)cc2)Nc2ccccc21"}, {"compound_id": "LB-6495BF18C36B", "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(Br)c2)CC1"}, {"compound_id": "LB-D78F78D23716", "smiles": "CC(C)n1c2cc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)ncc2c2c(OCC(F)(F)F)cc(N3CCN(C)CC3)cc21"}, {"compound_id": "LB-06136BBB23B7", "smiles": "Cc1cc(N2Cc3ccccc3C2)nc2ccc(Cl)cc12"}, {"compound_id": "LB-5B875293884A", "smiles": "c1ccc(-c2cc(N3Cc4ccccc4C3)nc3ccccc23)cc1"}, {"compound_id": "LB-5C91144643BB", "smiles": "Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccc(Cl)cc12"}, {"compound_id": "LB-9C0E3495B05C", "smiles": "COc1cc(N2CCC(N3CCN(CCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-70B00131B5C7", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3nc(C)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-6181AD9A4BEC", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3ncc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-53E13EF0ECAB", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3ncn4c(C)cccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-44CB36DC6118", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cnn4c(C)cccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-B01B9A0A8B87", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4c(C)nccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-C592539E18AB", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-43E4E3A3BD10", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(Cl)cccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-D91CA5115374", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(OC)cccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-B94AD307479F", "smiles": "COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-c2ncc3c(C)cccn23)n1"}, {"compound_id": "LB-C0CD468AF701", "smiles": "CC#CC(=O)Nc1cc(Nc2nccc(-c3ncc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-3A95F4C7AD6C", "smiles": "COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-c2cnc3c(C)cccn23)n1"}, {"compound_id": "LB-DA8F6266D1B7", "smiles": "CC#CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-E3B28286F639", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)C1CCCN(C)C1"}, {"compound_id": "LB-2D08FA3467C8", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)CCN1CCOCC1"}, {"compound_id": "LB-3B48627485C7", "smiles": "O=C(Nc1ccc(-c2ccc3c(=O)[nH]cnc3c2)cc1)Nc1ccc(F)c(F)c1"}, {"compound_id": "LB-492A7D935B67", "smiles": "CC(C)c1ccc(Nc2ncnc3cc(NC(=O)Nc4ccccc4)ccc23)cc1"}, {"compound_id": "LB-2E392C646319", "smiles": "COCCOc1cc2ncnc(Nc3cccc(OS(=O)(=O)F)c3)c2cc1OCCOC"}, {"compound_id": "LB-3CBBF3996FEE", "smiles": "C=CC(=O)Oc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"}, {"compound_id": "LB-F0C618641C9E", "smiles": "COCCOc1cc2ncnc(Nc3cccc(S(=O)(=O)F)c3)c2cc1OCCOC"}, {"compound_id": "LB-BAEF0E8A116D", "smiles": "COCCOc1cc2ncnc(Nc3cc(Br)cc(OS(C)(=O)=O)c3)c2cc1OCCOC"}, {"compound_id": "LB-6B3EE6A5D55B", "smiles": "COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OCCOC"}, {"compound_id": "LB-D54DEF4C5C72", "smiles": "C#Cc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(OC(=O)C=C)c1"}, {"compound_id": "LB-79DF2A121EA2", "smiles": "C=CS(=O)(=O)Oc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"}, {"compound_id": "LB-2C861A76E5BA", "smiles": "C=CS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"}, {"compound_id": "LB-F028FE3B3CED", "smiles": "COCCOc1cc2ncnc(Nc3cccc(C=O)c3)c2cc1OCCOC"}, {"compound_id": "LB-3AD8FA146DEB", "smiles": "C#Cc1cc(C=O)cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"}, {"compound_id": "LB-61C20EF2CFF2", "smiles": "COCCOc1cc2ncnc(Nc3cc(Cl)cc(C=O)c3)c2cc1OCCOC"}, {"compound_id": "LB-9AED23CC1A47", "smiles": "COCCOc1cc2ncnc(Nc3cc(C=O)cc(C=O)c3)c2cc1OCCOC"}, {"compound_id": "LB-0E9F04D310B4", "smiles": "COCCOc1cc2ncnc(Nc3ccc(C)c(C=O)c3)c2cc1OCCOC"}, {"compound_id": "LB-DCE55AC285A2", "smiles": 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{"compound_id": "LB-1658A96C296E", "smiles": "Cc1ccc(S(=O)(=O)c2ccc(C3C(C(=O)c4ccccc4)=C(N)NC4=C3C(=O)CC(C)(C)C4)cc2)cc1"}, {"compound_id": "LB-DE0484B83F63", "smiles": "C=CC(=O)N1CCC(Nc2cncc(-c3cnc(Oc4cccc(Cl)c4)nc3)c2)CC1"}, {"compound_id": "LB-ED33F8B1C9F4", "smiles": "C=CC(=O)N1CC(Nc2cncc(-c3cnc(Oc4cccc(Cl)c4F)nc3)c2)C1"}, {"compound_id": "LB-1CBFA5A324ED", "smiles": "C=CC(=O)N1CC(Nc2cncc(-c3cnc(Oc4cccc(C#N)c4)nc3)c2)C1"}, {"compound_id": "LB-95B4FAAD5FF7", "smiles": "C=CC(=O)N1CC(Nc2cncc(-c3cnc(Oc4cccc(OC(F)F)c4)nc3)c2)C1"}, {"compound_id": "LB-B279BC44705D", "smiles": "C=CC(=O)N1CC[C@H](Nc2cncc(-c3cnc(Oc4cccc(OC(F)F)c4)nc3)c2)C1"}, {"compound_id": "LB-077620E47F48", "smiles": "C=CC(=O)N1CC[C@H](Nc2cncc(-c3cnc(Oc4cccc(Cl)c4)nc3)c2)C1"}, {"compound_id": "LB-89919C86DFB4", "smiles": "C=CC(=O)N1CC(Nc2cncc(-c3cnc(Oc4cccc(Cl)c4)nc3)c2)C1"}, {"compound_id": "LB-A9F42329E19A", "smiles": "C=CC(=O)N1CC(Nc2cncc(-c3cnc(Oc4cccc(C(F)(F)F)c4)nc3)c2)C1"}, {"compound_id": "LB-B4D762A45A12", 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"COc1ccc2c(Nc3ccc(Oc4cccc5ccc(C)nc45)c(C)c3)ncnc2c1"}, {"compound_id": "LB-AC754F123953", "smiles": "COCCOc1ccc2ncnc(Nc3ccc(Oc4cccc5ccc(C)nc45)c(C)c3)c2c1"}, {"compound_id": "LB-065CF5A420FC", "smiles": "Cc1ccc2cccc(Oc3ccc(Nc4ncnc5ccc(NC(=O)C6CCCC6)cc45)cc3C)c2n1"}, {"compound_id": "LB-606C53286AA8", "smiles": "Cc1ccc2cccc(Oc3ccc(Nc4ncnc5ccc(NC6CCCC6)cc45)cc3C)c2n1"}, {"compound_id": "LB-75E5B3A7B176", "smiles": "COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1OCCCCn1ccnc1[N+](=O)[O-]"}, {"compound_id": "LB-B02B21B784BA", "smiles": "C=CC(=O)NC1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccc6c(c5)ncn6C)c(C)c4)c3n2)CC1"}, {"compound_id": "LB-13F25A79011B", "smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2cc1NC(=O)/C=C/CN(C)C"}, {"compound_id": "LB-C0BBCB348F6A", "smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4cccc(C)n4)cc3)c3c(N)ncnc32)C1"}, {"compound_id": "LB-2C776CCD0C54", "smiles": "C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C1"}, {"compound_id": "LB-05ABAF8A2D83", "smiles": "COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F"}, {"compound_id": "LB-0F8FB846AC85", "smiles": "CN1CCC[C@H]1/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1"}, {"compound_id": "LB-B382E2D2164E", "smiles": "C=CC(=O)N1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccccc5)c(C)c4)c3n2)CC1"}, {"compound_id": "LB-3F17BB334388", "smiles": "C=CC(=O)N1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1"}, {"compound_id": "LB-5DE57AEAED3E", "smiles": "COc1cccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(F)c(OC)c3)C2)c1"}, {"compound_id": "LB-D183D567175E", "smiles": "O=C(CSc1nnc(Nc2ccccc2)s1)N1N=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-F7C95497E15E", "smiles": "COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(Nc2ccc(Nc3ccc(S(=O)(=O)F)cc3)cc2)n1"}, {"compound_id": "LB-442BA8E08D35", "smiles": "CC(C)c1cnc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(N4CCC(O)C(C)(F)C4)n3)cc12"}, {"compound_id": "LB-94409195B38F", "smiles": "COC1CCN(c2nccc(Nc3cc4c(C(C)C)ccc(N5CC(CS(C)(=O)=O)C5C)c4cn3)n2)CC1F"}, {"compound_id": "LB-254017CF9A9D", "smiles": "CC[C@@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)NCCC(F)F"}, {"compound_id": "LB-0C8355925B10", "smiles": "COCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1"}, {"compound_id": "LB-F5D89D89E094", "smiles": "C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SCCOC)nc3-c3ccc(F)cc3)ccn2)c1"}, {"compound_id": "LB-5857E0C9081A", "smiles": "COc1cc(N2CCN(C)CC2)c(-c2cn[nH]c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-CC84D137B92A", "smiles": "CCS(=O)(=O)n1cc2c3cc(ccc31)OCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-E639FDA5E0E0", "smiles": "CCS(=O)(=O)n1cc2c3cc(ccc31)OCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-A560605F31AD", "smiles": "CCS(=O)(=O)n1cc2c3cc(ccc31)OCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-8ADF08498A1F", "smiles": "CCS(=O)(=O)n1cc2c3cc(ccc31)OCCCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1"}, {"compound_id": "LB-494C45EAEDCA", "smiles": "CCCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1"}, {"compound_id": "LB-2CFEBAC59E20", "smiles": "CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1"}, {"compound_id": "LB-D894D36E3C84", "smiles": "COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)/C=C/c3ccccc3)c2)n1"}, {"compound_id": "LB-15621D213174", "smiles": "CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)ncc2Cl)c1"}, {"compound_id": "LB-479A780B9205", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)ncc2Cl)c1"}, {"compound_id": "LB-12FD596D6556", "smiles": "CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)/C=C/c5ccccc5)c4)n3)cc2)CC1"}, {"compound_id": "LB-541658F3FDDB", "smiles": "CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)CCl)c4)n3)cc2)CC1"}, {"compound_id": "LB-9346D910D3C5", "smiles": "CCC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)ncc2Cl)c1"}, {"compound_id": "LB-793FF22C4E62", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3cnn(C)c3)ncc2Cl)c1"}, {"compound_id": "LB-CBE0F990BA54", "smiles": "Cn1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)/C=C/c4ccccc4)c3)n2)cn1"}, {"compound_id": "LB-D4C6B151826E", "smiles": "Cn1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)CCl)c3)n2)cn1"}, {"compound_id": "LB-494F22F8434C", "smiles": "CCC(=O)Nc1cccc(Nc2nc(Nc3ccc4[nH]c(=O)oc4c3)ncc2Cl)c1"}, {"compound_id": "LB-8731C149FFFA", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4[nH]c(=O)oc4c3)ncc2Cl)c1"}, {"compound_id": "LB-9B2BC75B87A4", "smiles": "O=C(/C=C/c1ccccc1)Nc1cccc(Nc2nc(Nc3ccc4[nH]c(=O)oc4c3)ncc2Cl)c1"}, {"compound_id": "LB-381356BB7908", "smiles": "O=C(CCl)Nc1cccc(Nc2nc(Nc3ccc4[nH]c(=O)oc4c3)ncc2Cl)c1"}, {"compound_id": "LB-DEAF915ACB26", "smiles": "CCC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(C)n(C)nc4c3)ncc2Cl)c1"}, {"compound_id": "LB-35E4B9D26ACF", "smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(C)n(C)nc4c3)ncc2Cl)c1"}, {"compound_id": "LB-B893E26CD6F0", "smiles": "Cc1c2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)/C=C/c5ccccc5)c4)n3)cc2nn1C"}, {"compound_id": "LB-E9844EFAEE67", "smiles": "Cc1c2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)CCl)c4)n3)cc2nn1C"}, {"compound_id": "LB-6696CB305A7C", "smiles": "COc1cc(Nc2ncnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl"}, {"compound_id": "LB-EC87C18FD5FE", "smiles": "COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC.Cl"}, {"compound_id": "LB-273A53ECF7C0", "smiles": "COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC"}, {"compound_id": "LB-E7939BF670BD", "smiles": "COc1cc2ncnc(Nc3ccc(Cl)c(N)c3)c2cc1OC"}, {"compound_id": "LB-89782ECB3B80", "smiles": "COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1OC.Cl"}, {"compound_id": "LB-18E1ABE74AB6", "smiles": "CCc1nc(-c2cccc(NC(=O)c3ccccc3CN3Cc4ccc(-c5ccc(N6CCNCC6)cc5)cc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-BFA788F09F57", "smiles": "CSc1nc(-c2cccc(NC(=O)c3ccccc3CN3C(=O)c4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-E52BA536A84D", "smiles": "CSc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1"}, {"compound_id": "LB-A36A21F3AC42", "smiles": "CCc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1"}, {"compound_id": "LB-EEBFDA2CD26C", "smiles": "CCOc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1"}, {"compound_id": "LB-EAD9C19E5D14", "smiles": "CSc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)c2)[nH]1"}, {"compound_id": "LB-A6956E9CCB51", "smiles": "CCC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3cccc(NC(=O)c4cccc(O)c4CN4Cc5ccccc5C4=O)c3)ccn2)c1"}, {"compound_id": "LB-8B9F29E358A2", "smiles": "CSc1nc(-c2cccc(NC(=O)c3ccccc3)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-0BF00A31BE3A", "smiles": "CSc1nc(-c2cccc(NC(=O)c3cccc(O)c3)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-1BDAAC490045", "smiles": "CCc1nc(-c2cccc(NC(=O)c3cccc(O)c3)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-4D9BC4AB9471", "smiles": "CSc1nc(-c2cccc(NC(=O)c3ccccc3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-B6B05C77E913", "smiles": "CSc1nc(-c2cccc(NC(=O)c3ccccc3CNC(=O)c3ccccc3C(=O)O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-D45B71CD5296", "smiles": "CSc1nc(-c2cccc(NC(=O)c3c(F)cccc3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-47ADF7413B5B", "smiles": "CSc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-BA0104398256", "smiles": "CSc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2cc(NC(C)=O)ncc2Cl)[nH]1"}, {"compound_id": "LB-379E301A1BEC", "smiles": "CCc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-F9CFDDED9C12", "smiles": "CCOc1nc(-c2cccc(NC(=O)c3cccc(O)c3CN3Cc4ccccc4C3=O)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1"}, {"compound_id": "LB-267160BE8549", "smiles": "C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3cccc(NC(=O)c4c(F)ccc(O)c4CN4Cc5ccccc5C4=O)c3)ccn2)c1"}, {"compound_id": "LB-0FD8925FB203", "smiles": "C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3cccc(NC(=O)c4c(F)cccc4CN4Cc5ccccc5C4=O)c3)ccn2)c1"}, {"compound_id": "LB-A297E0CCC756", "smiles": "C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(CC)nc3-c3cccc(NC(=O)c4cccc(O)c4CN4Cc5ccccc5C4=O)c3)ccn2)c1"}, {"compound_id": "LB-FBBD77816C90", "smiles": "C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3-c3cccc(NC(=O)c4cccc(O)c4CN4Cc5ccccc5C4=O)c3)ccn2)c1"}, {"compound_id": "LB-9B39A6DCCB01", "smiles": "COc1ccc(C(=O)/C=C/C(=O)N2CCN(C3CCN(c4ccc(Nc5ncc(Cl)c(Nc6ccccc6P(C)(C)=O)n5)c(OC)c4)CC3)CC2)cc1"}, {"compound_id": "LB-3F53CB199E27", "smiles": "Cc1c(-c2nnc(S)n2N=Cc2ccc(N(C)C)cc2)cnn1-c1ccccc1"}, {"compound_id": "LB-A064D4A52E90", "smiles": "Cc1c(-c2nnc(S)n2N=Cc2ccc(F)cc2)cnn1-c1ccc(S(C)(=O)=O)cc1"}, {"compound_id": "LB-5C18EB4F0AB7", "smiles": "COc1ccc(C=Nn2c(S)nnc2-c2cnn(-c3ccc(S(C)(=O)=O)cc3)c2C)cc1OC"}, {"compound_id": "LB-8089F71B5AE2", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CC[C@@H](N(C)C)C4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-081DE609D99E", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N(C)CCN(C)C)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-119897AB31FE", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCN(C)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-58B4ACC64162", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCN(C5CCCCC5)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-A9D64096BA18", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCC(C)(N)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-9B8FD162D124", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCC(N(C)C)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-408A5E69AF10", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-71583979186E", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCC(CN)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-65D9B94E6459", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(NC4CC(F)(F)C4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-E93950342327", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCCC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-C8C359A4A94C", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCOCC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-D05C776A1304", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCNCC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-BDB47DD489A6", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCC(C)(NC(=O)OC(C)(C)C)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-5714349E0268", "smiles": "[2H]C([2H])([2H])n1cc(-c2ccnc(Nc3cc(NC(=O)C=C)c(N4CCC(C(N)=O)CC4)cc3OC)n2)c2ccccc21"}, {"compound_id": "LB-7DCB063043E8", "smiles": "Clc1ccc(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c(Cl)c1"}, {"compound_id": "LB-02E64DB80364", "smiles": "Clc1ccc(Cl)c(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c1"}, {"compound_id": "LB-B4AE52DC169B", "smiles": "CCc1cc(Nc2ncc(Cl)c(Nc3ccc(C)c(C)c3P(C)(C)=O)n2)c(OC)cc1N1CC2(CCN(C)CC2)C1"}, {"compound_id": "LB-D36930BC7698", "smiles": "C=CC(=O)C1CCC[C@@H](n2nc(-c3ccc4ccccc4c3)c3c(N)ncnc32)C1"}, {"compound_id": "LB-0D1D3147AA57", "smiles": "[2H]C([2H])([2H])c1cc(Nc2ncc(Br)c(Nc3ccccc3NS(=O)(=O)C3CC3)n2)ccc1N1CCN(C([2H])([2H])[2H])CC1"}, {"compound_id": "LB-986C68F5C1C5", "smiles": "O=C(Nc1nccs1)[C@@H](c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O"}, {"compound_id": "LB-336B0A23D8FB", "smiles": "C#Cc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)ccc1C=O"}, {"compound_id": "LB-6948760FFD19", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc(C)cc2P(C)(C)=O)n1"}, {"compound_id": "LB-2C21B25EC0F7", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(C#Cc4ccccc4)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-4C7CB090713D", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(Oc4ccccc4)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-8B0FE86BFCAB", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(-c4ccccc4)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-96BBCA22683E", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(Oc4cccc(F)n4)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-7351DE69D080", "smiles": "C=CC(=O)N1Cc2nc(-c3ccc(F)c(Oc4cccc(F)n4)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-AE6245CEE4C1", "smiles": "C=CC(=O)N1Cc2nc(-c3ccc(F)c(Oc4cc(F)ccn4)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-03863208B667", "smiles": "C=CC(=O)N1Cc2nc(-c3ccc(F)c(Oc4cccc(F)n4)c3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-985694B1F5D7", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(Oc4cccc(F)n4)c3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-045B409168E1", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4cccc(F)n4)ccc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-395011A4538F", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(F)c(F)c(Oc4cccc(F)n4)c3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-75EB2A943F0B", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4cccc(F)n4)cc(F)c3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-564229D73989", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4cccc(F)n4)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-3F48A86C85BE", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4cccc(F)n4)c(F)cc3F)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-6577A84364B5", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(Oc4ccc(Cl)cn4)c3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-5F85002BA695", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(Oc4nc(F)ccc4Cl)c3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-F55C93899ED9", "smiles": "C=CC(=O)N1Cc2nc(-c3cccc(Oc4nccc(Cl)c4F)c3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-58513631D54D", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4nccc(Cl)c4F)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-0CDCF63662A4", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4cc(Cl)c(F)cn4)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-4DABE1A5426B", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4cc(Cl)ccn4)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-3D7F45384FE0", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4nc(F)ccc4F)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-620722839E6B", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(Oc4nc(F)ccc4F)ccc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-E1A5008CB330", "smiles": "[2H]c1nccc(-n2c(-c3cc(Oc4nc(F)ccc4F)ccc3F)nc3c2CN(C(=O)C=C)C3)n1"}, {"compound_id": "LB-3E95B1F6DBE0", "smiles": "[2H]c1cc(-n2c(-c3cc(Oc4nc(F)ccc4F)ccc3F)nc3c2CN(C(=O)C=C)C3)ncn1"}, {"compound_id": "LB-98C197040D0A", "smiles": "[2H]c1cc(-n2c(-c3cc(Oc4nc(F)ccc4F)ccc3F)nc3c2CN(C(=O)C=C)C3)nc([2H])n1"}, {"compound_id": "LB-C04B9DBDE57A", "smiles": "C=CC(=O)N1Cc2nc(-c3ccc(F)c(-c4ccccc4F)c3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-E4C1A2A73706", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4ccccc4F)c(F)cn3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-B84FF7E46698", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4c(F)cccc4F)c(F)cn3)n(-c3ccncc3)c2C1"}, {"compound_id": "LB-EDC30BA374EE", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4ccccc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-B5618A65A567", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4c(F)cccc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-C1C6AD98EFF4", "smiles": "C=C(F)C(=O)N1Cc2nc(-c3cc(-c4c(F)cccc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-29DF367075D0", "smiles": "C=C(Cl)C(=O)N1Cc2nc(-c3cc(-c4c(F)cccc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-978E66728468", "smiles": "O=C(/C=C/CF)N1Cc2nc(-c3cc(-c4c(F)cccc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-54FCD3EF7676", "smiles": "O=C(/C=C/C(F)(F)F)N1Cc2nc(-c3cc(-c4c(F)cccc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-EFBD4D8D74D0", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4ccccc4F)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-38E333B8F7D0", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4cccc5ocnc45)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-08DA173CA9B8", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4cccc5ccnn45)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-AC827694925D", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4ccc(-n5cccn5)cc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-5BAF01DF868F", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4ccc(-c5cocn5)cc4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-F53D57DBD5A3", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4c(F)cccc4C(F)F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-6DC8F14CF021", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4c(Cl)ccc(C(F)F)c4F)c(F)cn3)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-7B384EA4AA14", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4c(C(F)F)ccnc4F)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-4FA558C55E18", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4c(Cl)ccnc4Cl)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-ED631E8D7ED2", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4cc(Cl)cnc4Cl)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-2C03E105E912", "smiles": "C=CC(=O)N1Cc2nc(-c3cc(-c4cnn(C(F)F)c4C)c(F)cc3F)n(-c3ccncn3)c2C1"}, {"compound_id": "LB-B81C99DDFA34", "smiles": "C=CC(=O)Nc1cc(Nc2nccc(Nc3cc(Cl)c(F)cc3C(C)(C)O)n2)c(OC)cc1N1CC[C@@H](N(C)C)C1"}, {"compound_id": "LB-56D3BF1A7BCF", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1nnc(C)o1"}, {"compound_id": "LB-6180C02BBA29", "smiles": "CC[C@H](C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn(C)c1"}, {"compound_id": "LB-2F4FFED0AB2B", "smiles": "CC[C@H](C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn(C)c1"}, {"compound_id": "LB-8D180A37073E", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn(C)c1"}, {"compound_id": "LB-996C17EFFC16", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn(C2CCN(C)CC2)c1"}, {"compound_id": "LB-D99AACDF2574", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn(C2CCOCC2)c1"}, {"compound_id": "LB-09D0BF48BCCA", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn(-c2ccncc2)c1"}, {"compound_id": "LB-9103CC9C6F7A", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn([C@H]2CCN(C)C2)c1"}, {"compound_id": "LB-028AAD252177", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn([C@@H]2CCN(C)C2)c1"}, {"compound_id": "LB-A3996166AF24", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnn([C@H]2C[C@H](C)N(C)C2)c1"}, {"compound_id": "LB-7183B3F3968F", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cn([C@H]2C[C@H](C)N(C)C2)nc1F"}, {"compound_id": "LB-190F7C9F80BD", "smiles": "Cc1nn([C@H]2C[C@H](C)N(C)C2)cc1-c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1OC(C)C"}, {"compound_id": "LB-D5379AA94D39", "smiles": "COc1nn([C@H]2C[C@H](C)N(C)C2)cc1-c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1OC(C)C"}, {"compound_id": "LB-0AF7762CBD05", "smiles": "COc1nn(C2CCN(C)CC2)cc1-c1cnc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)cc1OC(C)C"}, {"compound_id": "LB-D9A0F084A494", "smiles": "CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cn(C2CCN(C)CC2)nc1OC(F)F"}, {"compound_id": "LB-A5C2B4BBF9A5", "smiles": "COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)N(C(=O)C(C)(C)C)C(=O)C(C)(C)C"}, {"compound_id": "LB-D1744DCE3CDA", "smiles": "COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)N1C(=O)C=CC1=O"}, {"compound_id": "LB-480CF6E5C774", "smiles": "Cc1ccc2nc(NC(=O)CSc3nc(O)c(C#N)c(-c4coc5ccccc5c4=O)n3)sc2c1"}, {"compound_id": "LB-B8E2397D937E", "smiles": "COc1cc2c(Nc3ccc(Oc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCC1CCN(C)CC1"}, {"compound_id": "LB-73806E605BBC", "smiles": 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{"compound_id": "LB-B8FC7DE04F80", "smiles": "COc1cc(N(C)CCN(C)C)c2cc1Nc1ncc(F)c(n1)Nc1ccc(cc1P(C)(C)=O)OCCCCC(=O)N2"}, {"compound_id": "LB-2AB94E62F536", "smiles": "COc1cc(N(C)CCN(C)C)c2cc1Nc1ncc(Br)c(n1)Nc1ccc(cc1P(C)(C)=O)OCCCCC(=O)N2"}, {"compound_id": "LB-562452782178", "smiles": "COc1cc(N(C)CCN(C)C)c2cc1Nc1ncc(C)c(n1)Nc1ccc(cc1P(C)(C)=O)OCCCn1cc-2cn1"}, {"compound_id": "LB-EEAF8A62D4DA", "smiles": "COc1cc(N2CCOCC2)c2cc1Nc1ncc(C)c(n1)Nc1ccc(cc1P(C)(C)=O)OCCCn1cc-2cn1"}, {"compound_id": "LB-1CE85A97DA55", "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)c2cc1Nc1ncc(C)c(n1)Nc1ccc(cc1P(C)(C)=O)OCCCn1cc-2cn1"}, {"compound_id": "LB-E670217242DD", "smiles": "COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(C)c(n1)Nc1ccc(cc1P(C)(C)=O)OCCCn1cc-2cn1"}, {"compound_id": "LB-C2DDBF1C56EC", "smiles": "CCC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"}, {"compound_id": "LB-7F931F584E1F", "smiles": "COc1cc(N(C)CCN(C)C)c2cc1Nc1nccc(n1)-c1cn(c3ccccc13)CCCC(=O)N2"}, {"compound_id": "LB-D7FF82CBFC41", "smiles": 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{"compound_id": "LB-82EDA9001842", "smiles": "COc1cc2nc(C)nc(N/N=C/c3cc(CN4CCOCC4)c(O)c(OC)c3)c2cc1OC"}, {"compound_id": "LB-FD6F4A4E83F5", "smiles": "COc1cc2nc(C)nc(N/N=C/c3cc(CN4CCN(C)CC4)c(O)c(OC)c3)c2cc1OC"}, {"compound_id": "LB-04D5D149172E", "smiles": "COc1cc2nc(C)nc(NNCC(=O)Nc3ccccc3)c2cc1OC"}, {"compound_id": "LB-FE80209278FC", "smiles": "COc1cc2nc(C)nc(NNCC(=O)Nc3ccc(Cl)cc3)c2cc1OC"}, {"compound_id": "LB-F84F3F00C398", "smiles": "COc1ccc(NC(=O)CNNc2nc(C)nc3cc(OC)c(OC)cc23)cc1"}, {"compound_id": "LB-409ABB64E733", "smiles": "COc1cc2nc(C)nc(NNC(=O)c3ccccc3)c2cc1OC"}, {"compound_id": "LB-9C5350AFF947", "smiles": "COc1cc2nc(C)nc(NNC(=O)c3ccccc3Cl)c2cc1OC"}, {"compound_id": "LB-BE90931EA056", "smiles": "COc1cc2nc(C)nc(NNC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2cc1OC"}, {"compound_id": "LB-39B87D48F1E1", "smiles": "COc1cc2nc(C)nc(NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2cc1OC"}, {"compound_id": "LB-3C84B165ECA9", "smiles": "COc1cc2nc(C)nc(Oc3ccc(/C=N/Nc4ccccc4)cc3)c2cc1OC"}, {"compound_id": 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