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DrugGEN_generated_molecules.csv
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DrugGEN_MOL_ID,SMILES
MOL_02_034697,CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNCC4CC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21
MOL_02_015514,NCC1(c2cccc(-c3ccccc3)c2)CCN(c2ncnc3c2CCN3)CC1
MOL_02_033292,CCNC(O)Nc1nc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)cc1CN
MOL_02_034107,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21
MOL_02_009815,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21
MOL_02_018026,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21
MOL_02_013706,CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNC4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21
MOL_02_009783,Cc1ccc(C2CCNCC2NC(O)c2cc(Cl)c(-c3c(Cl)cnn3C)o2)cc1
MOL_01_030091,CC(N)Cc1ccc(CC(C)N)c2cc(CCCn3cnc4ncccc43)ccc12
MOL_02_017700,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNC4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21
MOL_02_009744,Cc1ccc(C2CC(CC(O)NCCO)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_02_009326,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(N)O)c3)cn2CCN2CCC2)CC1
MOL_02_009835,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNC(C)(C)C)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21
MOL_01_031295,NCc1ccc(C2=CCC3=NCCN23)cc1CN
MOL_02_009945,Cc1ccc(C2CCNCC2NC(O)c2cc(-c3c(C)cnn3C)cn2C)cc1
MOL_02_023489,CC1CC(O)c2ncnc(N3CCN(C(O)C(CN)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21
MOL_02_009761,Cc1ccc(C2CC(CC(O)NCC(O)CO)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_02_000496,CN(C)c1cccc(CNCC(O)C(Cc2cc(Cl)cc(Cl)c2)NC(O)C2CN(Cc3ccccc3)C(O)N2)c1
MOL_02_034109,CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNC4CCOCC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21
MOL_01_026467,CC1=C2C(=C(C)c3cc(CN)c(CN)cc32)C(=O)C=C1
MOL_02_045597,COc1ccc2nccc(CCN3CC(O)C(CNCc4ccc5c(n4)NC(O)CC5)C3)c2n1
MOL_02_009702,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccccc2OCCN2CCCCC2)n1
MOL_01_030056,NC(CCCCc1cccnc1)C1(c2ccc(F)cc2)CC1(N)N
MOL_01_027820,Nc1ccc2nc(CCC(O)CCC(O)c3ccc(F)cc3)cc(O)n12
MOL_01_024595,NC(N)(N)CC(c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1
MOL_01_030681,NCC(c1ccc(Cl)cc1)C(N)Nc1ccc2cnccc2c1
MOL_02_015378,NC1(Cc2ccc3ccccc3c2)CCN(c2ncnc3c2CCN3)CC1
MOL_02_008350,CCCC(O)NC1Cn2c(c(-c3ccc(O)cc3)c3c(N)ncnc32)C1C
MOL_01_025351,CCC(=N)N1CCc2cc(CNCCC(=N)NC3CCCc4ccccc43)ccc21
MOL_01_027955,CCn1c2ccccc2c2cc(C(N)C(N)Nc3ccc(CN)c(CN)c3)ccc21
MOL_01_040534,COc1ncc(C2SC(=N)NC2=O)cc1C(N)NCc1ccc(C(F)(F)F)cc1
MOL_01_030524,N=C(Cc1cccc(-c2cccc(C(=N)N)c2)c1)NCc1ccc2ccccc2c1
MOL_02_035850,CC(C)NCC(Cc1cccc(C(Cl)(Cl)Cl)c1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_02_024246,Cc1ccc(C(O)NCC2(N)CCN(c3ncnc4c3CCN4)CC2)cc1
MOL_02_019447,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CCN)CC1
MOL_02_045713,NCC1C(CO)OC(n2cnc3c(N)ncnc32)C1O
MOL_02_032565,CC(C)c1ccc(NC(O)NC2CCN(c3ncnc4ccccc34)C2)cc1
MOL_02_009548,CC1CC(O)c2ncnc(N3CCN(C(O)C(CN)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21
MOL_02_008766,COc1cc(C(O)NC2CCC(O)N(CC(O)NC(CCCCNC(O)c3ccccc3)C(O)OC)C2O)cc(OC)c1OC
MOL_01_031718,CC(CN)(CCc1ccccc1Cl)NC(N)c1cccc(CC(F)(F)F)c1
MOL_02_009750,Cc1ccc(C2CCNCC2NC(O)c2cc(-c3c(Cl)cnn3C)co2)cc1
MOL_02_009587,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN2CCCC2)CC1
MOL_01_026672,NCc1cccc(-c2cc(NCCc3cccnc3)nc(CN)n2)c1
MOL_01_028275,CNc1cccc(CCc2ccc(C3C(CN)N(C(=N)C4CCCCC4)C3CN)cc2)c1
MOL_02_009355,Cc1ccc(C2CCNCC2NC(O)c2cc(Cl)c(-c3c(C)cnn3C)o2)cc1
MOL_02_045687,Nc1ncnc2c1ncn2C1OC(COC(O)(O)NC(O)C(N)CC(N)O)C(O)C1O
MOL_02_009549,Cc1ccc(C2CC(CCN3CCC(O)CC3)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_01_016284,N=C(CC1C(=N)NCCN1Cc1ccccc1C(F)(F)F)NC1CCCCC1
MOL_02_030820,CCNC(NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)C(O)C1
MOL_02_045707,CC(O)(OC1C(O)OC(n2cnc3c(N)ncnc32)C1O)OC1C(O)OC(n2cnc3c(N)ncnc32)C1O
MOL_02_045607,COc1ccc2nccc(N(C)CC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
MOL_02_034523,NCc1cccc(-c2nc(N)c3nc(Cc4cncn5ccnc45)nn3c2-c2ccncn2)c1
MOL_02_009662,Cc1cccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)c1
MOL_01_029206,NCc1ccc(Cl)cc1NC(=O)c1cccc(-n2ccnc2)c1
MOL_02_024422,CC(C)Nc1ccnc(N2CCC(C(CN)n3cc(-c4ncnc5c4CCN5)cn3)C2)n1
MOL_01_026112,Cn1ccc2c(C(=N)c3cc(CN)c(CN)c(CN)c3)cccc21
MOL_01_027205,CN1C(=N)c2c(ccc(C(=N)NCc3ccc(F)cc3)c2CN)NC1c1ccc(F)cc1
MOL_02_025697,NCc1cc(Nc2nc(O)c3cnn(-c4ccccc4)c3n2)ccc1N1CCC(O)CC1
MOL_02_036379,CC1CCc2ncnc(N3CC4(CCNCC4)c4cc(CCN)ccc43)c21
MOL_01_032736,CCc1ccc(C(O)Cc2c(Cl)cncc2Cl)c(CCC(N)O)c1CC
MOL_01_027648,Cc1ccc2c(CC(N)C(N)N)nc3ccnc(N)c3c2c1
MOL_01_002043,OC(C1NCCN1)N(Cc1cc2cc(F)nc(F)c2nc1F)C1CNCN1
MOL_02_007866,ONC(Cc1ccc2ccccc2c1)C(O)NCCCCCCNC(O)C(Cc1ccc2ccccc2c1)NO
MOL_01_010651,NCCC(CCc1cccc2cnccc12)NCc1ccccc1
MOL_02_034492,CNC(O)Nc1nc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)cc1N
MOL_02_009767,Cc1cnn(C)c1-c1cc(C(O)NC2CNCC2c2ccc(C(Cl)(Cl)Cl)cc2)oc1C
MOL_02_022275,CNCC(O)COc1cccc(-c2nc(NCCCN3CCCC3O)cc(-c3cc4ccccc4o3)n2)c1
MOL_02_009775,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN)CC1
MOL_02_033063,NCc1cc2ccccc2nc1-n1cnc(CN)c1CN
MOL_01_031450,CC(N)c1ccc(Cl)cc1NC(N)Cc1cccc2ccccc12
MOL_02_045648,CC(N)CCC(C)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_02_045763,NCCCCCC(CCN)CCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_02_024085,NCc1cnc2c(NC3CC3)cc(Nc3cc(N(CN)CN)cc(N4CCN(CCO)CC4)c3)nn12
MOL_02_023375,Cc1ccc2ncnc(N3CCCC4(CCNC4)C3)c2n1
MOL_01_029898,Nc1c(Cl)cccc1NC(=O)C(NC(=O)c1ccccc1Cl)C(N)N
MOL_02_026593,NC(N)C1CCN(c2cccc3nccn23)CC1
MOL_02_009056,Cc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cc1C
MOL_02_009416,NCc1cc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)ccc1Cl
MOL_02_009184,NCc1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1O
MOL_02_025751,Cc1ccc(C(CN2CCC(N(C)C)CC2)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1Cl
MOL_02_008884,Nc1ncnc2c1ncn2C1OC(CC(N)CC2CCCCC2)C(O)C1O
MOL_02_009173,Cc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cc1CN
MOL_01_000904,CCc1ccc(NC)c(CNC(O)C(NC)n2cc(F)c3nc4ccccc4c-3c2O)c1
MOL_01_032245,NCc1ccc(NC(N)CNC(N)Cc2cccc3ccccc23)c(CN)c1
MOL_01_028752,NCc1cc(CN2CCCC(C(N)Nc3ccccc3Cc3cccnc3)C2)ccc1F
MOL_02_009560,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(Cl)c2O)n1
MOL_02_009644,Cc1cc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cnc1C
MOL_02_027809,CNCCn1cc(-c2ccc(Cl)c(C)c2)nc1C1CCN(c2ncnc(N)c2N)CC1
MOL_02_033147,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccccc2O)n1
MOL_02_017998,Cc1cc(-c2cn(CC3CN(C)C3)c(C3CCN(c4ncnc(N)c4C)CC3)n2)ccc1Cl
MOL_02_045608,CCCNC(CCC(N)C(O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_01_029228,CC(CN)(COc1ccc(CN)cc1C(F)(F)F)NC(N)c1ccc(C(F)(F)F)cc1
MOL_01_026927,CCCc1ccc(C(N)Nc2ccc(OC)nc2C(N)NCC2CCOCC2)c2ccccc12
MOL_01_007514,NC(Cc1cc(F)c(F)cc1F)CC(N)N1CCn2cnc(-c3ccccn3)c2C1
MOL_02_045684,Nc1ncnc2c1ncn2C1OC(CCCCc2ccccn2)C(O)C1O
MOL_01_029476,Cn1cc(NNNC(N)CCc2ccc(F)cc2)c2ccccc21
MOL_01_014798,NCc1c(Cl)cc(Cl)cc1C(N)Nc1cccc2cccnc12
MOL_02_009330,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CCN(C)C)CC1
MOL_02_002683,CN(CCCNC(O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O
MOL_01_029023,C=C(CC(N)C(=C)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(CN)c(CN)cc1CN
MOL_02_009438,Cc1ccc(C2CC(CCN(C)C)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_02_022598,NCc1cc(-c2ncnc3c2CCN3)cn1-c1ccccc1
MOL_01_030159,N=C(CCc1ccc2cc(N)ccc2c1)NC1=C(C(=N)N)CC(c2ccc(F)cc2)CC1
MOL_01_019999,CCCC(N)c1cnn(-c2ccc(Cl)cc2)c1NC(N)c1cc2cc(C)ccc2cc1N
MOL_02_033532,OC1NCCN1CCNc1ccc2ncc(-c3ccccc3)n2n1
MOL_02_007893,COc1ccc2nccc(N(C)CC3(O)CCC(NCc4ccc5c(n4)NC(O)CC5)CC3)c2n1
MOL_02_036325,CC1CCc2ncnc(N3CC4(CCNCC4)c4cc(CN)ccc43)c21
MOL_02_005832,CC(O)C(NC(O)CCc1ccccc1)C(O)NC(Cc1ccccc1)C(O)NC(CCC(N)O)C(O)O
MOL_02_031271,Oc1cccc2c1CCN2C(O)CC1NC(O)CC(N2CCOCC2)N1
MOL_02_002197,NCCC(NC(O)c1ccc(-c2cccc(NC(O)(O)c3ccc4nc(O)c(O)nc4c3)c2)o1)C(O)N1CCNCC1
MOL_02_012734,NCc1ccc(-n2cncc2-c2cccnc2N)cc1
MOL_01_031915,NCc1ccccc1C(N)CC(N)c1ccc(-n2ccnc2)cc1
MOL_02_023691,Cc1nc(CCN)c2n1CCN(c1cccnc1)C2
MOL_01_015142,NC1c2ccccc2C(N)C1c1cc(F)cc(Cc2cccnc2)c1
MOL_02_016364,NCc1cc2c(nc1-n1cnc(CN)c1CN)CCCC2
MOL_02_027323,NCc1cc2c(nc1-n1cnc(CN)c1CN)CCC2
MOL_02_010056,Cc1ccc(C2CCNCC2NC(O)c2cc(Cl)c(-c3ccnn3C)o2)cc1
MOL_02_009557,CC1CCc2ncnc(N3CCN(C(O)C(N)Cc4ccc(Cl)cc4)CC3)c21
MOL_01_019368,NCc1ccc(-c2cc(Nc3ccccc3)nn2-c2ccc(F)cc2)c(CN)c1CN
MOL_02_045598,NC(N)NCCCC(NC(O)CCc1ccccc1)C(O)NC(Cc1ccccc1)C(N)O
MOL_01_027371,NCc1cccc(C2CCN(c3ccc(-c4ccncc4)cc3)C2N)c1
MOL_01_028998,NCc1ncc(C(O)c2ccccc2Cl)c(O)c1CN
MOL_02_033089,Cc1nc2cccnc2n1-c1ccc(CN)c(CN)c1
MOL_02_000546,CN1c2ccccc2C(c2ccccc2)NC(NC(O)Nc2ccc(C(O)O)cc2)C1O
MOL_01_029375,CC(CN)(COc1cc(CN)ccc1C(F)(F)F)NC(N)c1ccc(CC(F)(F)F)cc1
MOL_02_009074,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc3c2NCCC3)n1
MOL_02_045638,CC(C)OC(O)C(N)CCCCC1OC(n2ccc3c(N)ncnc32)C(O)C1O
MOL_01_031717,NCc1ccc(CN2CCC(C(N)N3CCN(c4ccccc4F)CC3)CC2)cc1CN
MOL_02_010040,Cc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cc1Cl
MOL_02_035909,Cc1cc(C(CNC(C)C)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc(C(Cl)(Cl)Cl)c1
MOL_02_035867,CC(C)NCC(c1cc(C(Cl)(Cl)Cl)cc(C(Cl)(Cl)Cl)c1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_01_024540,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccccc2OCCN2CCCC2)n1
MOL_01_030587,N=C(N)c1cc(Cl)c(Cl)cc1C(=N)Nc1cccc2cccnc12
MOL_02_024932,NC1Cc2cc(-n3ccnc3)ccc2C2NCCCN12
MOL_01_029844,CCc1cc(NC(N)c2ccc(-c3ccccc3)cc2)c(C(N)N)cc1CC
MOL_02_015940,c1nc2c(c(N3CCC4(CCCCN4)C3)n1)CCN2
MOL_01_030041,Cc1ccc(F)c(NC(N)Nc2ccccc2CCc2ccc3nccn3n2)c1
MOL_02_018033,Cc1ccc(C(CN)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)c(Cl)c1
MOL_02_007991,OC(COCCOCCOCCOCC(O)Nc1c(Cl)cc(Cl)c(C(O)O)c1Cl)Nc1c(Cl)cc(Cl)c(C(O)O)c1Cl
MOL_01_031092,Nc1ccc(-c2ccccc2)cc1NC(N)c1ccc(CN(Cc2cccnc2)C(N)O)cc1
MOL_02_030892,Oc1nnc2cc(NCCN3CCOCC3)ncn12
MOL_02_020509,NCc1cccc(-n2cncc2-c2ccnc(N)c2)c1
MOL_02_045805,NCC(c1ccccc1)C(O)Nc1ccc2cnccc2c1
MOL_02_009642,Cc1ccc(CC(N)C(O)N2CCN(c3ncnc4ccccc34)CC2)c(C)c1
MOL_02_021162,CN1CCN(CCNCCC(N)Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)CC3)CC1
MOL_02_018366,Cc1ccc(C(CCN)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)c(Cl)c1
MOL_02_017955,NCc1cccc(-c2cc(-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4ccncc43)c2)c1CN
MOL_02_019873,OC(Cc1cn(-c2ccc(Nc3ccc(-n4ccnc4)cc3)nn2)c2ccccc12)NCCCN1CCCC1O
MOL_01_032339,CCN(CC(=N)Nc1c(F)cccc1F)C(=N)C1CC(=N)N(CCc2ccccc2)C1
MOL_02_045762,NCC(c1ccccc1Cl)C(O)Nc1ccc2cnccc2c1
MOL_01_029931,NCc1ccccc1NC(O)C1CN(C(O)c2ccc3c(c2)OCO3)C1
MOL_02_022518,Nc1ncnn2c(C(O)CN3CCN(Cc4ccccc4)CC3CO)ccc12
MOL_01_026950,O=C(NCc1ccc(Cc2cncc(C(F)(F)F)c2)cn1)c1ccc2nccn2c1
MOL_02_003276,CC(O)(O)c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1
MOL_02_032341,OC(NC1COc2ccccc2C1)N1CCN(c2ccc3nccn3n2)CC1
MOL_01_028777,NCc1cc(NCc2ccncc2)c(C(O)Nc2ccccn2)cc1CN
MOL_01_030316,CC(N)CC(N)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
MOL_02_024431,NCc1cc(-c2cccc3ccccc23)nnc1NCCN1CCOCC1
MOL_01_026852,NC(c1ccc(C(F)(F)F)cc1)C1CCCN(Cc2ccncc2)C1
MOL_02_015696,NCCN(CCN)c1ncnc(-n2cnc3ccccc32)c1N
MOL_01_032140,NCc1cccc(C(N)Nc2cccc3cccnc23)c1CN
MOL_02_009063,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)cc3)cn2CCN2CCCC2)CC1
MOL_02_019881,OC(NC1CCC2CCC1N2Cc1c(Cl)cccc1Cl)n1ccc2nnc(C3CCC4NCCN4C3)c-2c1
MOL_02_009898,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(N(O)O)c2O)n1
MOL_01_028287,Cc1ccc2c(c1)N(CCCC(N)Nc1cccc(C(F)(F)F)c1)C(N)CO2
MOL_02_010049,CNCCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1
MOL_02_007352,Oc1cccc(CC2CNCC(Cc3cccc(O)c3)C2O)c1
MOL_02_006136,COc1ccc(C(CC(N)O)N2C(O)c3ccccc3C2O)cc1OC
MOL_02_006763,NC1CCCC(c2ccncc2NC(O)c2ccc(Cl)c(-c3c(Cl)ccc(O)c3Cl)n2)C1
MOL_02_009071,Cn1nccc1-c1ccc(C(O)NC2CNCCC2c2cccc(Cl)c2)nc1
MOL_01_025423,Cc1nc(-c2cccc(Cc3ccccc3)c2)c(C(=N)N)c(C(=N)N)c1N
MOL_02_004412,OC(O)CCC(NNC(O)CNC(O)Cc1ccccc1)c1ccccc1
MOL_02_045655,NCC1OC(n2cnc3c(N)ncnc32)CC1O
MOL_01_026645,NCc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCc2ccc(F)cc2)CC1CN
MOL_02_009625,Cc1cnn(C)c1-c1cc(C(O)NC(CN)Cc2cccc(Cl)c2)oc1C
MOL_01_032262,NCc1ccc(C(N)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1CN
MOL_02_006297,Nc1ncnc2c1ncn2C1OC(CNC2=C(O)C(O)=C2Nc2cccc(N(O)O)c2)C(O)C1O
MOL_02_010046,Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(Cl)c4)cn3CCN3CCCC3)CC2)c1Cl
MOL_01_031407,NCc1ccc(C(CN)NC(=O)Cc2ccc(F)c(F)c2)c(CN)c1
MOL_01_024838,Cc1ccc(-n2c(=N)c3ccn(CN)n(CN)c=3c2=N)cc1
MOL_02_026342,CCNC(NCCCN1CCN(c2cccc(C)c2)CC1)NC1CCc2ncnn2C1
MOL_02_018364,NCC1COCCN1c1cc2nnc(O)n2cn1
MOL_02_023800,Cc1ccc(C(CN)N2CCN(c3ncnc4c3CCN4)CC2)cc1
MOL_01_028081,Cc1cccc(NC(N)CCC(N)Cc2cccc(C(F)(F)F)c2)c1C
MOL_02_045676,Nc1ncnc2c1ncn2C1OC(CCCCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
MOL_02_030799,CNC(NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)C(O)C1
MOL_01_025288,N=C1N=CC(c2ccc(N)cc2)=C2C1=Nc1cc(CN)c(CN)cc12
MOL_02_009025,NC(Cc1ccc(Cl)cc1)C(O)N1CCN(c2ncnc3ccccc23)CC1
MOL_02_034296,OC(NCCc1cccnc1)C1CCN(c2nnc3ccccn23)CC1
MOL_02_045618,Nc1ncnc2c1ncn2C1OC(CCCCc2ccccc2)C(O)C1O
MOL_02_002049,NC(NO)c1ccc(CCc2cc(O)cc(O)c2)cc1
MOL_02_002560,Oc1nccc2cc(OCC3CCCNC3)ccc12
MOL_02_004842,Cc1ccc(OCC2OC(n3c4ncnc(N)c4c4c(O)nc(O)nc43)C(C)(O)C2O)cc1
MOL_02_000944,NNNC1(CO)OC(n2cnc3c(O)ncnc32)C(O)C1O
MOL_02_019613,NCc1cccn1-c1ccc(N)c2cnccc12
MOL_02_036135,NCc1ccc(-c2c(N)ccc3ncnn23)cc1
MOL_02_027224,Cc1nccn1-c1cccc(NCc2cn3c(n2)CCCC3)n1
MOL_01_031176,NCc1cccc(CNC(N)Nc2ccc(-c3ccnc(N)c3)cc2)c1
MOL_02_031336,Cc1ccc2ncc(-c3ccc(N4CCN(C)CC4)c(CN)c3)n2n1
MOL_02_009374,COc1ccc(CC(N)C(O)N2CCN(c3ncnc4ccccc34)CC2)cc1
MOL_02_019648,OC(NCc1ccc2c(c1)CCO2)N1CCN(c2ccc3nccn3n2)CC1
MOL_02_009838,Cc1cnn(C)c1-c1coc(C(O)NC2(c3ccc(Cl)cc3)CCNCC2)c1
MOL_01_029648,NCc1cc2c(cc1CN)C(=O)C1CCCC1C=C2
MOL_02_045717,CCCCC(N)C(O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_02_025971,NC(Nc1ccc(-n2ccnc2)nc1)c1ccc(-n2ccc3cccnc32)cc1
MOL_02_009643,CC1CN(C(O)Cc2nc(O)cc(N3CCOCC3)n2)c2cccc(O)c21
MOL_01_029651,NCC1(NC(O)c2ccn(-c3ccccc3Cl)n2)C=C=CC1
MOL_01_031123,N=C(CCc1ccc(C(N)(N)N)cc1)Cc1cccc2cnccc12
MOL_02_002674,COc1ccc(C(O)Nc2nc(-c3ccccc3O)cc(-c3cccc(C(O)NC(C)(C)CN)c3)c2CN)cc1
MOL_02_002475,NC(N)NC(O)c1cnn(-c2cccc3ncccc23)c1C1CC1
MOL_01_029696,NCc1cc2c(cc1CN)CN(CCCN1CCc3c(CCCF)cccc3C1N)CC2
MOL_02_009623,COc1cc2cnccc2cc1C(O)NC(c1ccc(C)c(C)c1)C1CCNCC1
MOL_02_033357,OC(NCCc1ccccc1)C1CCCN(c2c3c(nc4ncnn24)CCC3)C1
MOL_02_045642,CC(C)(CN)NC(O)c1cccc(-c2cc(-c3ccccc3O)nc(NC(O)c3ccco3)c2CN)c1
MOL_02_018700,CC1CC(O)c2ncnc(N3CCN(C(O)C(N)Cc4ccc(Cl)cc4)CC3)c21
MOL_01_027722,CC(N)Nc1cccc(NCC(N)NC2=Nc3ccc4c(c3=C2)=CN=N4)c1
MOL_02_005216,CCNC(O)NCC1Cc2ccccc2CN1C(O)C(N)Cc1c(C)cc(O)cc1C
MOL_02_020454,NCc1ccc(-n2cncc2-c2ccnc(N)c2)cc1
MOL_02_009200,NC(Cc1ccc(Cl)c(Cl)c1)C(O)N1CCN(c2ncnc3ccccc23)CC1
MOL_02_009493,Nc1ncnc(N2CCC3(CCCN(CC(O)CNC(O)(O)c4ccccc4Cl)C3)C2)c1C1CC1
MOL_01_026941,NCc1ccc(C(O)Nc2c(Cl)cncc2Cl)c2ccnn12
MOL_02_029419,NCc1cc(Cn2cnc3c(N)ncnc32)ccc1Cl
MOL_02_030877,CC1CN(C(O)CC2CC(O)CC(N3CCOCC3)N2)c2cccc(O)c21
MOL_02_009369,NC(Cc1ccc(C(Cl)(Cl)Cl)cc1)C(O)N1CCN(c2ncnc3ccccc23)CC1
MOL_02_023131,CC(O)c1cnc(N2CCC(C(CCN)n3cc(-c4ncnc5c4CCN5)cn3)C2)c(N)n1
MOL_02_016695,NC1CCCN(c2cccc(-c3cnc4ccccn34)n2)C1
MOL_02_009851,Cc1ccc(C2CC(CCO)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_01_029323,Nc1cncc2ccc(C(=O)CCc3ccccc3CC(N)N)nc12
MOL_02_014703,NCC(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2CCN3)CC1
MOL_02_002505,CC(NNCc1c(O)ccc2ccccc12)NC1CN2CCC1CC2
MOL_02_011904,c1nc2c(c(N3CCNCC3)n1)CCN2
MOL_01_030043,NCc1cc(CC(=O)Cc2cccc3cccnc23)cc(CN)c1CN
MOL_02_035901,CC(C)NCC(c1ccc(C(Cl)(Cl)Cl)cc1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_01_025289,Cc1cc(CN)ccc1-c1ncncc1-c1ccc(CN)cc1
MOL_02_009002,Cc1ccc(C2CCNCC2NC(O)c2ccc(-c3ccnn3C)o2)cc1
MOL_02_009201,COCCNCC(c1ccc(C)cc1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_02_032261,Cc1ccc2ncnc(N3NC(N)(c4ccc(N5CCOCC5)c(C)c4)NC3N)c2c1
MOL_02_009903,Cc1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1O
MOL_02_045653,NNNC1C(O)C(CO)OC1n1cnc2c(N)ncnc21
MOL_02_029980,Clc1ccc(-c2ccccc2CN2CCN(CCCn3cnc4ccccc43)CC2)cc1
MOL_01_025906,CC1(C(=N)NCc2cccc(Cl)c2)Cc2nccc(-c3cccc(C(=N)N)c3)c2C1
MOL_02_009854,CC(C)C(c1nc(O)cc(N2CCOCC2)n1)C(O)Nc1ccc(Cl)cc1
MOL_02_019339,OC1CC(CC(O)N2CCc3c(-c4ccncc4)cccc32)NC(N2CCOCC2)C1
MOL_02_026624,c1nc2c(c(N3CCCC4(CCCNC4)C3)n1)CCC2
MOL_01_032249,NCc1ccc(CCN2CN=C(CCc3ccc(Cl)c(Cl)c3)NC2)cc1CN
MOL_02_006671,CCC(CC)C(O)Nc1cc(NC(O)CCc2ccc(O)c(O)c2)ccc1O
MOL_02_036021,NCc1cnc2ccccc2c1-n1cccc1CN
MOL_02_027682,Clc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc5c4CCCN5)CC3)n2)cc1C(Cl)(Cl)Cl
MOL_02_009532,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(OC(Cl)(Cl)C(Cl)Cl)c2)n1
MOL_02_004044,CCc1nc2ccc(C(O)NCc3ccc4c(c3)OCO4)cn2c1N(CCC(C)C)CCN(C)C
MOL_02_021970,NC(NC(N)C1CCN(Cc2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC1)c1ccccn1
MOL_01_028034,NCCCC1CCCCN1C(=O)c1ccc(CC2CCN(C(N)=O)CC2)c(CN)c1
MOL_02_037364,NCc1c(N)nc(CCCCn2c(O)nc3ccccc32)c(CN)c1-c1ccccc1
MOL_02_012519,NCc1nccn1-c1ccc2cnccc2c1N
MOL_01_025977,Cc1cc(-n2cc3c(n2)CN(C(N)c2cc(CN)ccc2CCC2CC2)C3)ccn1
MOL_02_009118,Cc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCCNC2)cc1C
MOL_01_032791,CN(CCc1ccc(CN)c(CN)c1)C(N)Cc1ccc(-c2ccccc2)cc1
MOL_01_030503,CC(C)c1cc2c(CC(N)CCN)ncnc2cn1
MOL_02_037181,NCc1ccc(N2CCC(NC(O)NCCCc3nnc4n3CCCCC4)CC2)nc1
MOL_02_006089,Cc1cc2c(O)nccc2cc1NC(O)c1ccccc1
MOL_01_029870,CC(CN)(COc1cc(CN)ccc1C(F)(F)F)NC(N)c1ccc(C(F)(F)F)cc1
MOL_02_045799,Cc1ccc(CC(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1
MOL_01_024684,CCCc1ccc(NC(N)c2cc3nc4c(C)cccn4c(N)c-3c2)cc1
MOL_02_008276,NCC(CN)C(CN)c1ccc(CO)cc1
MOL_01_031846,CC(CN)(CCc1c(Cl)cccc1Cl)NC(N)c1ccc(C(F)(F)F)cc1
MOL_02_006414,Nc1ncnc2c1ncn2C1OC(COC(O)(O)OC(O)(O)OCC2OC(N3CCCC(C(N)O)C3)C(O)C2O)C(O)C1O
MOL_02_045770,CC(O)NCCCCN(C)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_02_002512,Cc1ccccc1CN1CCN(CC(O)NCc2cccnc2)C1O
MOL_02_003840,CCN(Cc1ccccc1)CC(O)NC(O)NC1CCCCC1
MOL_02_030032,NCc1cccc(-c2cc(-n3c4c(c5cc(CN)ccc53)CCCC4)nc(-n3c4ccccc4c4cccnc43)c2)c1
MOL_02_024562,c1cc(N2CCCC3(CCCNC3)C2)n2ccnc2c1
MOL_02_010044,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC)c(C(N)O)c3)cn2CCN2CCC2)CC1
MOL_01_030722,CC(C)(C)c1ccc(CN)c(NC(O)NCN(O)C2=NNC(O)CC2)c1
MOL_02_024911,Cc1c(C)n(CCN2CCCC2)c2ncnc(N)c12
MOL_02_012478,CC(C)(N)c1cncn1-c1cccc2cnccc12
MOL_02_009513,Cc1ccc(CC(N)C(O)N2CCN(c3ncnc4ccccc34)CC2)cc1
MOL_01_028731,CCn1cc(C(=N)N)c(=N)c2cccc(C)c21
MOL_02_003729,CC1NN(C(C)N)C(O)C1NNc1ccc(O)cc1
MOL_02_001241,Nc1ncnc2c1ncn2C1OC(CNC(O)(O)NC(O)CCCCC2CCC3NC(O)NC23)C(O)C1N
MOL_02_024667,NCc1cccc(-c2cc(-n3c4c(c5ccccc53)CCNC4)nc(-n3c4ccccc4c4cc(CN)ccc43)c2)c1
MOL_01_026671,CNc1cccc(CNC(N)Cn2c(CCC(N)Nc3ccc(C)cc3)nc3ccccc32)c1
MOL_01_026739,CC(C)CC(NC(=N)C(Cc1ccccc1)NC(=N)c1ccc2ccccc2n1)C(O)O
MOL_02_045692,COc1ccc(C(CN)C(O)Nc2ccc3cnccc3c2)cc1
MOL_02_009709,OC(NCCNCCCc1ccc(Cl)cc1)c1cccc2cnccc12
MOL_01_028398,CCc1ccc(CC)c(NC(N)c2nnn(CC(N)Nc3ccc(C(C)C)cc3)c2N)c1
MOL_02_009376,Nc1ncnc(N2CCN(C(O)C(N)Cc3ccccc3)CC2)c1Cl
MOL_02_003185,CCC(Cc1ccccc1)C(O)NC(CCCc1ccc(C)cc1)C(N)O
MOL_02_033019,NCc1ncn(-c2ncnc3ccc(N)cc23)c1CN
MOL_02_017408,CC(C)NCC(c1ccc(Cl)c(Cl)c1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_02_004488,Cc1cc2c(O)nccc2cc1NC(O)C1CCC(N)CC1
MOL_02_009039,Cc1ccc(C2CC(CCN3CCCCC3)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_02_005986,Nc1ncnc2c1ncn2C1OC(C(O)NC2CC2)C(O)C1O
MOL_02_045758,Nc1ncnc2c1ncn2C1OC(C(O)NC2CC2)C(O)C1O
MOL_02_032659,Cn1ncc2c(N3CCN(Cc4cn5ccccc5c4CN)CC3)ncnc21
MOL_01_027226,C=C(Cc1ccc(Cc2ccnc3cc(CN)c(CN)cc23)cc1)c1ccncc1
MOL_01_028122,N=C(CCCCCC(=N)Cc1cnc2ccccc2c1)Cc1ccccc1
MOL_01_030805,Cc1cccc(C(C)N)c1NC(N)Cc1cccc2ccccc12
MOL_01_029349,Cc1c(C)c2c(c(C)c1N)CCC(C)(CNCc1ccc(CN)c(CN)c1)C2
MOL_02_012769,NCc1cccc(-n2cncc2-c2cccnc2N)c1
MOL_02_008513,Nc1nccc(N2CCC3(CC2)CNC3)n1
MOL_02_026782,NCC1COCCN1c1ccc2nnc(O)n2n1
MOL_01_027235,NC(C1CC(c2cccnc2)C1)C1(c2ccc(F)cc2)NC1(N)N
MOL_02_009583,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(Cl)c2)n1
MOL_01_027891,CCc1ccc2nccc(CCNC(N)c3ccc(CC(F)(F)F)cc3)c2c1
MOL_02_017697,COc1cc(N2CCN(C(O)NCCn3cnc4ccccc43)CC2)ccc1-n1cnc(C)n1
MOL_02_017351,OCC1CCCN1c1nc(Nc2cn(-c3ccnc4ccccc34)cn2)c2cccn2n1
MOL_02_031343,Nc1ncnc2c1ncn2Cc1cccc(C(N)N)c1Cl
MOL_02_009586,Cc1ccc(C2CC(CC(O)NC3CCC3)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_01_027742,Cc1ccc(CN2CCCn3nc(C(N)NCCc4ccc(CN)c(CN)c4)cc3C2N)cc1
MOL_02_006423,CCCCCCCCC1(Cc2ccc(OC)cc2)C(O)NC(O)NC1O
MOL_02_012141,Nc1ncccc1-c1nccn1-c1ccc(C2(N)CCC2)cc1
MOL_01_026502,NCc1cc(C(N)NCCN2CCC(C(N)c3ccc(F)cc3)CC2)c(CN)cc1Cl
MOL_01_026276,NCc1cc(O)c2c(c1CN)CCCC2=O
MOL_02_009865,Cc1ccc(CC(N)C(O)N2CCN(c3ncnc4ccc(N(C)C)cc34)CC2)cc1
MOL_01_026837,Cc1ccc(F)c(C(=N)N2CC(C(=N)N)C(c3ccccc3)C2)c1Cl
MOL_02_022164,NCCCn1cc(Nc2ncc(CN)c(NCc3cccc(N4CCOCC4)c3)n2)cn1
MOL_02_018577,Cc1cc(N2CCN(c3nc4c(c(CN)c3CN)CCCCCC4)CC2)n2ncnc2n1
MOL_02_005593,Cc1ccc(NC(O)C(O)C2C(N)NN(c3ccccc3)C2O)cc1
MOL_02_045794,Nc1ncnc2c1ncn2C1OC(COC(O)(O)O)C(O)C1O
MOL_02_009860,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN(C)C)CC1
MOL_02_009261,CN(C)c1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1
MOL_02_009417,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc3occc23)n1
MOL_02_045791,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc3occc23)n1
MOL_01_026769,Cn1ncnc1-c1cc(Cc2ccc(NC(N)Nc3cccc(C(F)(F)F)c3)cc2F)ccn1
MOL_02_003696,Cc1nc(O)nc(O)c1CCC(O)NC(CO)C(O)c1ccc(N(O)O)cc1
MOL_02_022901,Cc1cnn2c(Nc3ccc(CN)cc3)c(CN)c(NCCN3CCOCC3)nc12
MOL_01_031259,NCc1ccccc1CNC(N)CN1Cc2cccc3cccc1c23
MOL_02_032273,Cc1cc(N2CCCNC(O)C2)n2ncnc2n1
MOL_02_031989,OC(CN1CCCNC1O)Nc1ccnc2ccnn12
MOL_02_000367,COC(O)NC(CC(O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
MOL_02_017028,Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(Cl)(Cl)Cl)c4)cn3CCN3CCC3)CC2)c1OC(Cl)C(Cl)Cl
MOL_02_036859,NC1CCCCN(c2ccncc2Nc2cccc3cnc(-c4c(Cl)cccc4Cl)nc23)C1
MOL_01_027504,CC(=O)CC(CN)c1ccc(Cl)c(CCc2ccnc3ccccc23)c1
MOL_01_032820,CCc1ccc(CNC(N)CN2N=C(c3ccc(Cl)cc3)CCC2N)cc1
MOL_02_010057,CC1CN(c2cc(O)nc(CC(O)Nc3ccc(Cl)cc3)n2)CCO1
MOL_02_036190,NCc1cccnc1-n1ncc2c(N)ncnc21
MOL_02_045710,Nc1ncnc2c1ncn2C1OC(CCCCCl)C(O)C1O
MOL_02_014191,CCc1cnc(N2CCC(c3nnc4c(Nc5ccc(-n6cncn6)nc5C)cccn34)CC2)nc1
MOL_02_009377,COc1cc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)ccc1Cl
MOL_02_006805,Nc1ncnc2c1ncn2OCCOCC(O)(OCc1ccccc1)OCc1ccccc1
MOL_02_009356,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(O)c(C(Cl)(Cl)Cl)c3)cn2CCN2CCCC2)CC1
MOL_01_029583,N=C(C1CCN(Cc2cc(ON)c(ON)c(ON)c2)CC1)N1CCN(c2ccccc2F)CC1
MOL_02_009468,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(Cl)c2)n1
MOL_01_031146,NOc1ccc(NC(N)CCCC(N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
MOL_01_027192,CCn1cc2c(n1)C(CCN)CN(C(N)CCCc1ccccc1)C2
MOL_02_013262,CN1CCN(c2ccc(-n3ncc4c(N)ncnc43)c(CN)c2)CC1
MOL_02_008292,Oc1ccc(C(O)NC2CNCC2NC(O)c2cc(O)c(C(O)c3c(O)cccc3C(O)O)c(O)c2)cc1
MOL_01_025201,CCn1c(N)c2cc(C(N)N(CCN(C)C)Cc3ccccc3)cc-2c2ccccc21
MOL_02_016956,CC1OCc2ncnc(N3CCN(C(O)C(CC(C)(C)N)c4ccc(Cl)c(Cl)c4)CC3)c21
MOL_02_004139,Cc1ccccc1-c1cc(C(O)O)c2cnn(Cc3ccncc3)c2n1
MOL_02_002950,CC(C)C(O)(O)C1NCC2NC(O)C(Cc3ccc(-c4ccccc4)o3)C(N)N21
MOL_02_045782,CC(O)(OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)OC1C(O)OC(n2cnc3c(N)ncnc32)C1O
MOL_02_045636,Nc1ncnc2c1ncn2C1OC(CNCC(O)CO)C(O)C1O
MOL_01_026980,N=C1C(CCCc2cccnc2)C(c2ccc(CN)cc2)N1c1ccccc1
MOL_02_002756,NC(Cc1ccc(O)cc1)C(O)NC1CCCC2(CCCCC2)C(C(O)O)NC(O)C(Cc2ccccc2)NC(O)CNC1O
MOL_02_045781,Cc1ccc(C(CN)C(O)Nc2ccc3cnccc3c2)cc1
MOL_02_036005,CC(C)c1nc2cnccc2n1-c1cccc(CN)c1
MOL_02_009605,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNC(C)(C)CO)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21
MOL_01_029868,NCc1ccc(CC(N)NCCCN2CCN(c3ccccc3F)CC2)cc1CN
MOL_02_015566,NC(N)c1cc(N2CCn3cnnc3C2)ccn1
MOL_01_029054,N=C(CCc1nc(C(N)(N)N)nc2ccccc12)Cc1ccc2c(c1)CCCC2
MOL_01_027978,Cc1ccc(CN2C=CNC(=N)C2CC(=N)NC2CCCc3cc(CN(C)C)ccc32)cc1
MOL_02_031030,c1cncc(CN2CCCC(n3ccnc3-c3cccc4cnccc34)C2)c1
MOL_02_006930,COc1ccccc1NC(O)c1cc(N(O)O)ccc1NC1CN(C)CCN1C
MOL_02_024465,NCc1c(C(CN)Cc2cc3ccccc3nc2N2CCOCC2)nn(-c2ccccc2)c1N
MOL_02_016269,Cc1c(C)n(C2CCN3CCCC3C2)c2ncnc(N)c12
MOL_02_034559,Cc1ccccc1C1CCN(CCCCn2cnc3ccccc32)CC1
MOL_01_032199,NCc1ccc2ccc(-c3ccccc3)c(O)c2c1CN
MOL_02_032144,COc1ccc(Cn2ncc(NC(O)c3cc(NC(O)c4cccc(C(Cl)(Cl)Cl)c4)ccc3C)c2N)cc1
MOL_02_025252,CN1CC(c2ccccc2)CC12CCN(c1cc(N)ncn1)CC2
MOL_01_030622,CNc1cc(CN)c(C(=N)NC2CCN(Cc3ccccc3)CC2)cc1Cl
MOL_02_009503,Cc1cc(-c2cn(CC3CNC3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1Cl
MOL_02_045633,Nc1ncnc2c1ncn2C1OC(CCC2CCNC2)C(O)C1O
MOL_02_032925,NCc1ncn(-c2ccc3cc(N)ccc3n2)c1CN
MOL_01_030301,CCCc1cc(C(=N)NC(C)CCCc2cccnc2)ccc1-c1ccc(CN)c(CN)c1
MOL_02_031415,CNCC1CCCCN1c1cc(C)cc2ncnn12
MOL_02_000412,COc1ccc(N(CC(O)NCc2ccccc2)C(O)CCC(O)Nc2cc(C)ccn2)c(OC)c1
MOL_02_009158,NC(Cc1ccccc1)C(O)N1CCN(c2ncnc3ccccc23)CC1
MOL_02_003406,NCc1cc(C(O)(O)Nc2ccc(Cl)cn2)ccc1Oc1ccc(-n2ccnc2)cc1
MOL_02_008648,COc1cc(OC)cc(C(CC(N)O)N2C(O)c3ccccc3C2O)c1
MOL_02_010029,Cc1ccc(C(CN)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1
MOL_02_009431,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cc(Cl)cc(Cl)c2)n1
MOL_02_028077,CC1CC(O)c2ncnc(N3CCN(C(O)C(N)Cc4ccc(Cl)c(Cl)c4)CC3)c21
MOL_02_012318,NCc1cccc(-c2cc(-n3c4ccccc4c4ccc(CN)cc43)ncc2-n2c3ccccc3c3ccc(CN)cc32)c1
MOL_01_030585,CC(C)CC(C(=N)NCCN)c1cccc(-c2ccc(-c3ccncc3)cc2)c1
MOL_02_031950,Oc1cc(N2CCC(NCC(O)NC3CCOc4ccccc43)CC2)ncn1
MOL_02_045624,NNC(O)C(CCC(N)O)NC(O)C(Cc1ccccc1)NC(O)CNC(O)CCc1ccccc1
MOL_02_026248,Cc1cn2ccc(Nc3ncc(C)c(NC4CCN(c5ccc(CN)nn5)CC4)n3)cc2n1
MOL_01_028336,N=C(CC1CNCCN1)NC1CCC(CCN2CCC(c3cccc4c3CCN4)CC2)CC1
MOL_01_031345,CCC(CCCCC(c1ccccc1)c1ccccc1)(c1ccc(CN)c(CN)c1)C(N)N
MOL_02_008091,OC1NC(O)C(CCCc2ccncc2)(CCCc2ccncc2)N1
MOL_02_012801,NCc1ccc(-n2cnc3c(N)ncnc32)cc1
MOL_02_025965,NC(N)c1c(-n2ccc3ccccc32)ccc(-n2ccc3ccccc32)c1C(N)N
MOL_01_029720,OC(NCCCc1ccc(C(F)(F)F)cn1)c1cccc2ncccc12
MOL_02_036246,CCc1nc2cnccc2n1-c1cccc(CN)c1
MOL_02_009714,CCc1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1
MOL_01_029688,NC(CCc1ncnc2ccccc12)c1ccc(Cl)cc1
MOL_02_009211,COc1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1
MOL_02_004298,Cc1cc(C)c(Oc2cc(Nc3ccc(CN)cc3)ncc2C(O)NCc2cn(Cc3ccccc3C)nn2)c(C)c1
MOL_02_009138,Oc1cc(N2CCOCC2)nc(CC(O)N2CCc3c(O)cccc32)n1
MOL_02_019558,CCc1cnc(N2CCC(c3ncn4c(Nc5ccc(-n6cncn6)nc5C)nccc34)CC2)nc1
MOL_02_026087,NCc1cccnc1N1CCN(CCCn2c(O)nc3ccccc32)CC1
MOL_02_009972,Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CCNC3CCCC3)CC2)c1C(N)O
MOL_02_009932,CC(O)(O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4CN)CC3)n2)c1
MOL_02_000173,COc1cc(CC(O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
MOL_02_035404,CNc1nc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C(N)N
MOL_02_031139,COc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cc1Cl
MOL_01_026903,NCc1ccc(CCNCCC2CNc3ccccc3C2)cc1CN
MOL_01_025638,CC(NC(=N)C(Cc1ccccc1)NC(=N)c1cc2cc(Cl)ccc2n1C)C(=N)O
MOL_01_027767,NCc1ccc(Cl)cc1NC(N)Nc1cc(Cl)nc2ccccc12
MOL_02_031871,NCCC1CCN(c2cc3nnc(O)n3cn2)CC1
MOL_02_009712,Cc1noc(C)c1C(O)(O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1
MOL_01_028441,CC1(C)CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc(CN)c(CN)cc21
MOL_02_022534,OC(NCCc1nnc2n1CCCCC2)N1CCN(c2ccccc2)CC1
MOL_02_016016,Nc1nc(O)c2nc(-c3ccc(CN4CCC(n5c(O)nc6ccccc65)CC4)cc3)c(-c3ccccc3)nc2n1
MOL_02_012792,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(Cl)(Cl)Cl)c3)cn2CCN(C)C)CC1
MOL_02_036865,OC1N(Cc2ccccn2)CC2CN(Cc3ccnc4ccccc34)CCN21
MOL_01_030689,CCCCCc1c(C)cccc1C(N)NC1(C(C)N)Cc2ccccc2C1
MOL_02_031746,OC(NC1CC1)N1CCn2nc(-c3ccc(Cl)cc3)c(-c3ccc4nc(NCc5ccnc(Cl)c5)cn4n3)c2C1
MOL_02_009090,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)cc2)n1
MOL_02_001281,OC(O)c1cccc(NC2C(O)NC(O)C2c2ccccc2N(O)O)c1
MOL_02_029376,NC1CCCN(c2ncnc3c2CCC3)C1
MOL_02_008417,CN(C)c1ccc(CNC(O)Nc2cccc3cnccc23)cc1
MOL_02_001027,Cc1cc(CC2CC(N)N(c3ccccc3)C2O)ccc1O
MOL_02_024931,NCCCn1c(-c2cccc(CN3CCN(c4ccccc4)CC3)c2)nc2ccccc21
MOL_02_019088,NCc1ccc(N2CCCC(NCc3cnc4cnccn34)C2)c(Cl)c1
MOL_02_009323,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C)c3)cn2CCN2CCC2)CC1
MOL_01_025668,NCc1cc2c(c(CN)c1CN)C(c1cc(-c3ccccc3)ccc1F)NC(N)N2
MOL_02_000089,CC(C)(C)NC(O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(O)NC1c2ccccc2CC1O
MOL_01_032846,NCc1cc(NCc2ccc3ccccc3n2)cc(CN)c1CN
MOL_01_029048,NCc1ccc(Cl)cc1NCc1ccc2c(c1)NC(=O)CCC2
MOL_01_031054,CC(C)(C)c1cccc(C(N)Nc2cccc(Nc3ccnc(NC(N)C4CC4)c3)c2)c1
MOL_02_009668,NCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(O)c3)cn2CCN2CCC2)CC1
MOL_02_009716,Cc1ccc(C2CC(CC(N)O)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_01_031147,N=C(NC(Cc1ccccc1)C(=N)Nc1ccc(F)cc1)C1CCNCC1
MOL_02_045657,Nc1ncnc2c1ncn2C1OC(CCCC(O)(O)O)C1CO
MOL_02_009966,Cc1ccc(CC(N)C(O)N2CCN(c3ncnc4ccc(C)cc34)CC2)cc1
MOL_02_030865,Cc1nc(N2CCOCC2)ccc1Nc1nc(O)c2cnn(-c3ccccc3)c2n1
MOL_01_032184,CCc1ccc2c(C(N)N(C)CC(N)N)c(CCC(F)(F)F)ccc2c1C(F)(F)F
MOL_02_012503,Cc1nc2cnccc2n1-c1cccc(CN)c1
MOL_02_017716,NCCCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2N)CC1
MOL_02_029936,c1ccc2c(c1)Cc1nccc(-n3cnc(C4CCNCC4)c3)c1-2
MOL_02_008474,Cc1ccc(C(O)Nc2ccc(Nc3nc(N4CC(N)CC(N)C4)nc(N4CC(N)C4)n3)cc2O)cc1
MOL_02_034627,Cc1nc(C)nc(-c2cc(CN)ccc2-n2c3ccc(-c4cccc(CN)c4)cc3c3cc(-c4cccc(CN)c4)ccc32)n1
MOL_02_015853,CCc1c(N)ncnc1N1CCn2ccnc2C1
MOL_02_012376,NCc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2CN)cc(-n2c3ccccc3c3ccccc32)n1
MOL_02_009034,Cc1ccc(C2CCNCC2NC(O)c2ccc(-c3c(Cl)cnn3C)o2)cc1
MOL_02_000435,CNC(NC(N)O)NC1CCCc2cc(C)cnc21
MOL_02_026041,CN1CCN(c2nc(N3CCC(NCCCc4ccncc4)CC3)c3cnn(C)c3n2)CC1
MOL_01_029560,CC(C)c1c(CCCc2cccnc2ON)c(C(N)N)nn1C
MOL_02_033192,CC(O)Nc1nc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)cc1CN
MOL_02_012739,NCc1ccccc1-n1cncc1-c1cccnc1N
MOL_01_030653,NC(Nc1cccc(-c2ccccc2)c1)NC(N)c1ccc2nccnc2c1
MOL_02_005809,OCC1OC(CC(O)NCc2ccccc2)CCC1NC(O)Nc1ccc2c(c1)OCO2
MOL_02_030773,CNC(NCc1nccc2ccccc12)N1CCN(c2cnn(C)c2)C(O)C1
MOL_02_016394,NCc1cnc(Nc2cnn(CCO)c2)nc1NCc1cccc(N2CCNCC2)c1
MOL_02_030749,OC(CN1c2c(cnn2-c2ccccc2)C2NCCN2C1O)NCCc1ccccc1
MOL_01_027983,CN(Cc1cc(O)n2cccc2n1)CC(O)Nc1ccc(Cl)c(C(F)(F)F)c1
MOL_02_007294,Cc1ccc(CNCC(NC(O)CNC(O)c2cccc(C(Cl)(Cl)Cl)c2)C(O)NCc2ccccc2)c(C)c1
MOL_02_014901,Cc1cc(-n2cc(C3CCC4CN(c5nccnc5CN)CCN43)nn2)ccn1
MOL_02_020022,OC1N2CCCC2CN1C1CCN(Cc2cccnc2)CC1
MOL_02_011584,NCc1cccnc1N1CCCC(Cc2nnc3ccccn23)C1
MOL_02_030775,OCCN1CCN(c2ccc3nnc(O)n3n2)CC1
MOL_02_019919,OC(Nc1ccc2c(c1)CCCO2)N1CCC(Nc2ccc3nccn3n2)C1
MOL_02_009274,CC(O)(O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)O)CC3)n2)c1
MOL_02_007251,Cc1cccc(NC(O)c2cc(CN)ccc2COC(c2ccc(CN)cc2)c2cncn2C)c1
MOL_02_034424,NCc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c1CN
MOL_02_017849,Nc1nccc(N2CCC(c3nc(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CCN3CCCC3)CC2)c1-c1ccc(C(O)O)cc1
MOL_02_008746,CCC(NC(O)C(CC(C)C)NC(O)OCc1ccccc1)C(O)C(O)NCCCn1cnc2c(N)ncnc21
MOL_02_001389,COc1cc(NC(N)NCN)ccc1-c1cnco1
MOL_01_031137,CCc1ccc(CC)c(N2CC(N)C2O)c1
MOL_02_034194,CNC(NCCCc1nnc2ccccn12)NC1CCCN(c2cc(C)ccc2Cl)C1
MOL_01_030537,COc1ccc2cccc(CCNC(=N)C3CN(C(=N)c4ccncc4Cl)C3)c2c1
MOL_02_007571,CC(O)OC(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(O)(O)O
MOL_02_000741,COC(O)C1C(C)NC(C)N(CCCCCN2CCC(c3ccccc3C(Cl)(Cl)Cl)CC2)C1c1ccc(Cl)c(Cl)c1
MOL_01_032652,OC(Nc1ccncn1)c1cc(Cc2cccnc2)ccn1
MOL_02_029762,NCc1ccc(-n2cnc3c2CCCC3)c(CN)c1
MOL_02_033066,NCc1ncn(-c2ccc3ccccc3n2)c1CN
MOL_02_018957,NCc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2CN)cc(-n2c3ccccc3c3ccncc32)c1
MOL_02_004869,CC1(C)NC(O)C(Cc2ccc(O)cc2)N1
MOL_02_008696,Cc1cnc(C(O)N2CCN3CC(OCc4cccnc4)CC3C2)cn1
MOL_01_011591,NC(O)C(Cc1ccccc1)Nc1cc(O)c2ccccc2n1
MOL_01_024829,CCOc1ccccc1CC(N)Cn1ncc2c3ccccc3nc-2c1N
MOL_02_025276,Nc1cnc2c(c1)N(CCNCCCn1ccnc1)CCN2CCNCCCn1ccnc1
MOL_02_024341,Cn1nccc1-c1ccc(C(O)NC2CNCCC2c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1
MOL_02_016953,Cc1ccc(C(CC(C)(C)N)C(O)N2CCN(c3ncnc4c3C(C)OC4)CC2)cc1Cl
MOL_02_000429,NCNC(NC(O)(O)c1ccccc1)c1ccccc1
MOL_02_009554,CN1CC(Cn2cc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)nc2C2CCN(c3ncnc(N)c3C(N)O)CC2)C1
MOL_01_030438,N=C(CC(N)Cc1cc(F)c(F)cc1F)N1CCN(C(=N)c2ccccc2)CC1
MOL_02_009506,Cc1cc(C2CCNCC2Nc2ccc(C(N)O)c3ncncc23)ccc1Cl
MOL_01_029831,NCc1cc(NCc2ccc(C(N)O)cc2)ccc1Cc1ccc(Cl)c(C(F)(F)F)c1
MOL_02_011260,Oc1nc2ccccc2n1CCCCCN1CCN(c2ccncc2)CC1
MOL_02_033338,OC1CC(CN2CCC(c3nnc4ccc(-n5cccn5)nn34)CC2)CN1
MOL_02_035482,Cc1ccccc1CNC1CCC2Cn3nc(N4CCOCC4)nc3NC21
MOL_02_009337,CN(C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(C(O)O)cc2)CC1
MOL_02_030846,OC(CCC(O)c1ccnc(NC2CCC2)c1)CN1CCc2nc(OCc3cnco3)ccc2C1
MOL_02_035590,Nc1cc(N2CC(O)CC2CNCc2cnn3c2CCC3)ncn1
MOL_01_031302,N=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=N)NCc1ccccc1
MOL_01_028827,N=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCc2ccc(CN)cc2C1
MOL_01_027052,NCC(Cc1ccccc1)C(N)Cn1c(N(N)O)nc2ccccc21
MOL_02_026757,Cn1cnc2cnc(N3CCC(N)C3)nc21
MOL_02_015657,OC(CN1CCN(c2ncccn2)CC1)NCCCc1nnc2ccccn12
MOL_01_032789,Cc1ncc(Cc2cc(CCN)c(O)c(CCN)c2)c(C)n1
MOL_01_026783,COc1ccc(-c2nc(CCCc3ccccc3)nc(N)c2CN)cc1
MOL_02_032259,NCc1ccc(Nc2ccc3c(c2)C(O)N(C2CCC(O)NC2)C3)nn1
MOL_01_030938,Nc1cc2ccc(Cl)cc2n1C(N)NCc1cccc(CO)c1
MOL_02_019778,Oc1cccc2c1CCN2C(O)CC1CC(O)CC(N2CCOCC2)N1
MOL_02_019750,OC(CN1CCN(c2nnnn2-c2ccccc2)CC1)NCCc1cccc2cccnc12
MOL_02_035410,Cn1ncc2c(N)nc(NCCN3CCCCC3CO)nc21
MOL_02_045609,NCCNC(O)C(Cc1ccc2ccccc2c1)NC(O)OCc1ccccc1
MOL_02_006887,CC(CCc1c(O)ccc(C(O)CCc2ccc(O)cc2)c1O)COC(O)CCc1ccc(O)cc1
MOL_02_009102,OC(NC(c1ccccc1)C1CCNCC1)c1ccc2cnccc2c1
MOL_02_009022,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)cn2)n1
MOL_01_028689,CC(=O)N(C)c1ccc(CNc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(CN)c2)cc1
MOL_02_031468,c1cnc2nc(N3CCOCC3)nc(N3CCc4ncc(N5CCCn6nccc65)cc4C3)c2c1
MOL_01_031843,OC(NCc1ccc(Cl)cc1)NNCc1cccc2cccnc12
MOL_02_013816,CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNCC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21
MOL_01_026179,CC(=O)c1cn(C2NN2)c2cc(C3CC(N)CC(N)C3)ccc2c1=O
MOL_02_009703,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(Cl)(Cl)Cl)n3)cn2CCN2CCC2)CC1
MOL_02_034402,c1cnc(N2CCN(CCCCn3cnc4ccccc43)CC2)nc1
MOL_01_032082,CCCCCCC(NC(=N)C1CCC(=N)N1)C(=N)Nc1cccc(C(F)(F)F)c1
MOL_01_030576,CCNC(N)CCc1ccc(Cl)cc1CC(N)c1cc2cc(CCl)ccc2cc1N
MOL_01_027354,C=C1C(C)C(c2cc(CN)c(CN)c(CN)c2)N1c1ccc(CN)c(C)c1
MOL_02_002237,Oc1ccc(CC(O)NCCCCNC(O)Cc2ccc(O)c(O)c2)cc1O
MOL_01_031980,CC(CCN)NC(O)CCc1nncc2ccccc12
MOL_02_009963,COc1cc(CC(N)C(O)N2CCN(c3ncnc4ccccc34)CC2)cc(OC)c1
MOL_02_002011,Cc1ccc2c(c1)CCN2C(O)(O)c1ccc(C(O)Nc2ccc(CN)cc2C(O)O)cc1
MOL_02_018819,Cc1c(C)n(-c2cccc(CN)c2)c2ncnc(N)c12
MOL_02_045743,CCCNC(O)CCCN(C)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_02_001255,Cc1ccc(NNC(C(O)NN)C(O)(O)c2ccc(C)cc2)cc1
MOL_01_027206,CNc1cccc2cc(C(N)CC(N)(N)c3ccc(C(C)(C)C)cc3)c(N)nc12
MOL_02_009396,CN(C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(C(C)(C)O)cc2)CC1
MOL_02_045800,CN(C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(C(C)(C)O)cc2)CC1
MOL_01_026723,NCc1ccc(CCNCCC2Cc3ccccc3N(Cc3ccc(CN)c(CN)c3)C2)cc1CN
MOL_02_012388,NCc1ccc2c3ccccc3n(-c3cc(-c4ccccc4CN)c(-n4c5ccccc5c5ccc(CN)cc54)cn3)c2c1
MOL_02_000730,NCc1ccc(-c2ccc(OCC(O)NNCc3ccncc3)cc2)cc1
MOL_02_019820,Cn1nc2c(c1-c1ccccc1)-c1nc(NC(N)CCNCCN3CCN(CCO)CC3)ncc1CC2
MOL_02_011624,NCc1ccncc1N1CCCC(Cc2nnc3ccccn23)C1
MOL_02_045772,NCCC1(n2cc(C(N)O)c(Nc3ccc(Cl)cc3)n2)CCN(c2ccncn2)CC1
MOL_02_004163,CCOc1cccc(N2CCC(CCN)(n3cc(C(N)O)c(Nc4ccc(Cl)cc4)n3)CC2)n1
MOL_02_030515,OCCN(CC1CCCN1)c1nccn2nccc12
MOL_02_013565,Oc1nc2ccccc2n1CCCCCN1CCN(c2ncncn2)CC1
MOL_02_036401,NCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cn2CCCCC2CCCC2)CC1
MOL_02_005074,Cc1ccccc1CNC(N)NC(N)N
MOL_01_031813,NCc1ccccc1CNC(N)C1CCc2cnccc2C1
MOL_01_026132,CC1CC(C)CN(c2cnnc3c(CN)c(CN)c(CN)cc23)C1
MOL_02_003456,CC(C)CC(NC(O)NCc1ccc(Cl)cc1)C(O)NO
MOL_02_018392,NCc1nc2n(n1)CCCN2Cc1ccc2c(c1)CN(C1CCC(O)NC1O)C2O
MOL_02_001520,OC(CN1C(O)NC(CCc2ccccc2)C1O)Nc1ccc(Cl)c(Cl)c1Cl
MOL_02_018956,NCc1cccc(-c2cc(-n3c4ccccc4c4cc(CN)ccc43)nc(-n3c4ccccc4c4ccncc43)c2)c1
MOL_02_025975,CC(N)c1ccc(-n2cnc3c(N)ncnc32)cc1
MOL_02_032985,NCc1ncn(-c2cc(CN)c3ccccc3n2)c1CN
MOL_02_033130,CC(C)NCC(c1ccc(C(Cl)(Cl)Cl)cc1Cl)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_02_005624,Cc1ccc(C(O)N2CCCC2C(O)N2CCC(C(O)NCCc3ccncc3)CC2)cc1
MOL_01_031675,NCC(NC(O)CCCCc1cccnc1)c1ccc(F)cc1F
MOL_01_030060,NCc1cccc(CC(N)CC2NC(N)(N)Cc3ccccc32)c1
MOL_02_017106,Nc1ncccc1-c1cncn1C1CCN2CCCC12
MOL_02_011382,Oc1nccn1C1CCC2CN(Cc3ccccc3)CC21
MOL_02_001365,Cc1ccn2ncc(-c3ccn(C(O)(O)c4cc(N(O)O)ccc4C)n3)c2n1
MOL_01_025932,Cc1ccc(C2=Nc3ccccc3N(CC(=N)Nc3ccc(CN)c(CN)c3)C(=N)C2)cc1C
MOL_02_026389,NCCN1CCN(c2ccc(-c3cnc4ccc(CO)nn34)cc2)CC1
MOL_01_030951,CCc1ccccc1CCCN1CC(NCN)C(C(C)C)C1
MOL_02_035890,Oc1nc(CC2c3cc(Cl)c(N4CCOCC4)cc3NC2O)nc2cc(NCCCN3CCCC3)c(Cl)cc12
MOL_02_023123,CN(Cc1nccn1Cc1ccccc1)c1nc2c(cc1CN)CCCC2
MOL_01_025261,NC(N)c1cccc(-c2ccnc3c2CC(N)(C(N)CCC2CCCCC2)C3)c1
MOL_02_029775,NC1CCN(c2cccc3nccn23)CC1
MOL_02_033002,NCc1ncn(-c2cnc3ccccc3n2)c1CN
MOL_02_009801,CNC(O)CC1CC(c2ccc(Cl)c(Cl)c2)C(NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)CN1
MOL_01_031965,CNc1cccc(NC)c1C(N)CCc1cccc2ccccc12
MOL_01_032657,CCc1cc(N)cc2c(CNC(Cc3ccccc3)C(C)N)c(C)ccc12
MOL_02_006326,CC1C2Cc3ccccc3C1NC(NCN)N2
MOL_01_028178,Cc1cc(-c2ccc(NC(N)C(C)c3cccc(F)n3)cc2CN)ccn1
MOL_02_007667,CCOC(O)C(Cc1ccc(O)cc1)NC(O)C1(NC(O)C(CC(O)COC)C(C)C)CCCC1
MOL_01_027147,Cc1nn(-c2ccccc2)c(C)c1C(N)CCC(N)Nc1ccc2c(c1)CCC2
MOL_01_025435,CCCc1ccccc1N1CC(C(=N)N2CCc3ccccc3C2)CC1=N
MOL_02_009478,CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CCN(CC)CC)CC1
MOL_02_003237,CCC(O)OC1C(COC(O)(O)NC(O)(O)O)OC(n2cnc3c(O)nc(N)nc32)C1O
MOL_02_045659,Nc1ncnc2c1ncn2C1OCC(CO)C1O
MOL_01_032762,NCc1cc2c(cc1CCCCN1CCCCC1)C(=O)CC2
MOL_02_045661,CC(C)COC(O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_02_000676,CC1N(NC(O)c2ccccc2)C(CC(N)O)C(O)N1c1ccccc1
MOL_02_024378,NC1NCN(CCCCO)n2c(-c3ccncc3)ccc21
MOL_02_024390,Cn1nccc1-c1ccc(C(O)NC2CNCCC2c2cccc(Cl)c2)c(Cl)c1
MOL_02_005605,NC(NO)NNCc1ccccc1Cl
MOL_02_009213,Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4CN)CC3)n2)cc1C
MOL_02_009411,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(C(Cl)Cl)c2)n1
MOL_01_029823,NCc1cccc(C2CCN(C(N)c3ccc(CCc4cccnc4)o3)CC2)c1
MOL_02_000212,Cc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1C(N)(O)O
MOL_01_027522,NOCCn1c(CCc2ccc(ON)c(F)c2)nnc1-c1ccncc1
MOL_01_031047,NC(NCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1
MOL_02_035885,NCC(O)N1CCc2cccc(OCC3CCCN3c3ccnc4ncnn34)c2C1
MOL_02_004472,NC(NNCc1c(O)cc(O)cc1O)c1ccncc1
MOL_02_021151,CCC(CNN)C(C)N1CCCC(Nc2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
MOL_02_009684,COC(O)c1cc(Cl)ccc1NC(O)Cc1nc(O)cc(N2CCOCC2)n1
MOL_02_034193,Cc1nccn1-c1ccc(CNCc2cccc(CN)c2)cn1
MOL_01_029819,CCc1ccc2c(CC)ccc(C(N)CC(C(N)N)C3(C)CC3)c2c1
MOL_01_029815,Cc1cncc(CCc2ccc(N3CC(C)(C)CC3=N)nc2)c1
MOL_02_005885,OC(O)c1ccc(NC(O)c2cccc(C(O)Nc3ccc(C(O)O)cc3)n2)cc1
MOL_02_009568,Cc1ccc(C2CCNCC2NC(O)c2ccc(-c3c(C)cnn3C)o2)cc1
MOL_02_036918,NC1CCCN(c2cc(-c3cnc4ccc(C(Cl)Cl)nn34)ncn2)C1
MOL_02_019620,CCNC(NCCc1nnc2ccccn12)NCc1ccc(N2CCCC2O)cc1
MOL_01_026820,Cc1ccc(C(C)CNC(C)(C)Cc2cc(F)cc(F)c2)c2c1NC(=O)CC2
MOL_01_025029,NCc1nc2nc(C(=O)c3ccccc3)cn2c2c1NNC(N)N2
MOL_02_004315,CC1(C)CNc2c(cccc2C(O)(O)NC(CCCNC(N)N)C(O)N2CCC(CC(Cl)Cl)CC2)C1
MOL_01_027613,Cc1cc(CCC(O)Nc2ccccc2C(N)O)c2c(C)cc(O)cc2c1
MOL_02_011633,Nc1nccn2c(C3CCNC3)nc(Cl)c12
MOL_01_029508,N=C(N)c1ccc(Cc2ccc3c(c2)CCN(CCCc2ccccc2)C3)nc1
MOL_01_027183,O=C(NC(CO)Cc1ccc(O)cc1)c1cccnc1Cc1ccc(Nc2ccccn2)cc1
MOL_01_027520,N=C(Cc1cccc2ccc(N)cc12)CC1CC(N)(N)Oc2cc(F)ccc21
MOL_01_032503,NCc1cc(CCC(=O)CCC(=O)Nc2c(F)cccc2F)cc(CN)c1CN
MOL_02_023130,NCc1ccc(N2CCN(c3cncc4ncnn34)CC2)nc1
MOL_01_029471,Cc1ccc(C(C)CCC(C)N2NNNNN2)c2c1=NC(=O)C=2
MOL_02_016342,CCn1ccnc1CN1CCN(c2ncnc3ccccc23)CC1
MOL_01_028556,CCc1nc(C)c(CCC(N)CO)c2cc(CO)c(CO)cc12
MOL_02_027821,Nc1cc(N2CCC(N)C2)nc2c(CCCO)cnn12
MOL_02_012239,Cc1ccc(-c2ccccc2CN2CCN(CCCn3cnc4ccccc43)CC2)cc1
MOL_02_033053,NCc1ncn(-c2ccc3nccnc3n2)c1CN
MOL_02_045682,Nc1ncnc2c1ncn2C1OC(CNC(O)C2CCC(O)N2)C(O)C1O
MOL_02_030485,NCc1ccccc1C1CCN(C(O)C2CCn3ncnc3C2)CC1
MOL_01_028012,COc1ccc(Cn2cnc(C(O)Nc3cc(OC)ccc3OC)c2N)cc1
MOL_02_009313,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cc(Cl)c(Cl)c(Cl)c2)n1
MOL_01_024897,Cc1cccc(N2CCN(C(N)c3cc4c(N)n(C)c5ccccc5c-4c3)CC2C)c1
MOL_02_030367,Cc1nc2ncnn2c(N2CCCC(N(C)C)C2)c1C
MOL_02_004731,CNC(O)c1ccc(NC(O)CN2c3cccc4cccc(c34)C2(O)O)cc1
MOL_02_009049,Oc1cc(N2CCOCC2)nc(C(Cl)(Cl)C(O)Nc2ccc(Cl)cc2)n1
MOL_01_028528,COc1ccc(-c2cccc(CNC(Cc3cccc(CN)c3)C(=N)N3CCC(CCN)CC3)c2)cc1
MOL_02_030447,CCc1cc(N2CCC(CNc3ncccc3CN)C2)n2ncnc2n1
MOL_02_026848,NCc1cc(C2CCN(C(O)CCCc3nc(O)c4cccn4n3)CC2)cnc1N
MOL_02_005749,CCc1ccc(C2C(CN)C(N)CC(N)C2CN)cc1
MOL_01_031200,CCc1ccc2cccc(CCNC(O)C3CN(C(O)c4cc(NC)cc(NC)c4)C3)c2c1
MOL_02_001880,NCCCNCCCCCC(CCN)CCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_01_027303,CN(C)C(=N)Cc1ccc(CC(Nc2ncncc2-c2ccncc2)C(=N)O)cc1
MOL_01_031975,NCc1cccc(NCCNCCN2C(N)c3cccc4cccc(c34)C2N)c1
MOL_02_029528,NCc1cccc(-c2cc(-n3c4c(c5cccnc53)CCCC4)nc(-n3c4ccc(CN)cc4c4cc(CN)ccc43)c2)c1
MOL_02_032223,Oc1cc(CCCC(O)Nc2cccc(N3CCOCC3)c2)nc2cccn12
MOL_02_009790,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(C3CC3)c2)n1
MOL_02_031694,Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1N(N)Cc1ccc2nccn2c1
MOL_02_018317,NCc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c(CN)c1
MOL_02_009009,CC(C)(C)c1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1
MOL_02_037411,NCC(c1nnc2n1CCCCC2)C(O)CN1CCN(c2ccccn2)CC1
MOL_02_012221,Cc1cc(Nc2ccc(N3CCC(O)CC3)c(CN)c2)n2ncnc2n1
MOL_02_031128,Cc1ccc(C(CN2CCNCC2)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1
MOL_02_014940,NCc1c(C(CN)Cc2cc3ccccc3nc2N2CCCCC2)nn(-c2ccccc2)c1N
MOL_01_026045,CN1C(=N)Cc2ccc(-c3ccc(CC(CN)NC(=N)C45CCC(CC4)CN5)cc3)cc21
MOL_02_017237,Cc1nc2cnccc2n1-c1ccc(Cl)c(CN)c1
MOL_02_018299,Cc1ccccc1C(c1ccccc1)N1CCN(CCCn2cnc3ccccc32)CC1
MOL_02_006516,OC(NN1C(O)CCCC1Cc1ccc(N(O)O)o1)c1ccncc1
MOL_02_008342,OC(CCc1ccc2c(c1)OCO2)NCCCCN1CCCC2CC3CC(CN4CCCCC34)C21
MOL_01_030434,Cc1cccc(CCCC(N)N(C)CC(N)Nc2cccc3ccccc23)c1
MOL_02_017813,NCc1cccc(-c2cc(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)c2)c1CN
MOL_01_032947,CC(N)(NC(N)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2
MOL_01_030097,N=C(NC(Cc1cccc(Cl)c1)C(=N)NCCN)c1cccc2c1CCCC2
MOL_01_028550,N=C1CC2(CCN(Cc3ccc(CN)cc3)C2)CN1c1cccc(F)c1
MOL_01_027356,CCCc1ccccc1N1CCN(C(N)c2cc3ccccc3cc2CN)CC1
MOL_02_005121,NNNCC(Nc1ncnc2c(C(N)O)cccc12)c1ccccc1
MOL_02_035975,NCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(CN)ccc1CN
MOL_01_026851,N=c1c(CN)c(N2CCCC(c3ccccc3)C2)ccn1CCC(N)N
MOL_02_009338,Cn1nccc1-c1coc(C(O)NC2CNCCC2c2ccc(Cl)c(Cl)c2)c1
MOL_01_025877,Cc1nccn1CCCCNC(=N)c1ccc2nc3ccc(C(C)C)cc3c(=N)n2c1
MOL_02_004823,Cc1ccc(C(C)NC(O)C2(N)CCN(c3ncnc(N)c3C)CC2)cc1
MOL_02_030703,Cc1nc2ncnn2c(N2CCCNC(O)C2)c1C
MOL_02_033500,OC(CCCN1Cc2ccccc2C1O)Nc1ccc2ncnn2c1
MOL_02_007050,NCc1c(C(CN)Cc2ccc(-c3ccccc3N(O)O)o2)nn(-c2ccccc2)c1N
MOL_01_025091,Nc1c2n(c3cc(O)ccc13)CC(O)CNC2O
MOL_02_030752,NCc1cc(N2c3ccccc3CN(CC3CCN(c4cccc5nnc(O)n45)CC3)C2O)ccn1
MOL_02_045714,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(OC(Cl)(Cl)Cl)c2)n1
MOL_02_018123,CC1CCN(c2cc(CC(CN)c3nn(-c4ccccc4)c(N)c3CN)c3ccccc3n2)CC1
MOL_02_009757,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(OC(Cl)(Cl)Cl)c2)n1
MOL_02_032947,NCc1ncn(-c2nccc3ccccc23)c1CN
MOL_02_014291,COc1ccccc1NC(O)NC1CCN(c2ncnn3cccc23)CC1
MOL_01_032729,NC(Cc1ccc(Oc2cccnc2)nc1)c1ccc(C(N)(N)N)cc1
MOL_02_019403,NC1C2CCCC1CC(C(O)NCc1cccnc1-n1ccnc1)C2
MOL_02_007162,Cc1nn(C2CCCC2)c(C)c1C(O)(O)NC(C)COc1cccc2cnccc12
MOL_02_024512,NCc1ccc(-c2cc(Nc3ccc(N4CCOCC4)nn3)c3nccn3c2)cc1N
MOL_02_009646,Cc1cnn(C)c1-c1cc(C(O)NC2CNC(CCO)CC2c2ccc(Cl)c(Cl)c2)oc1C
MOL_02_032255,OC1CC(CC(O)N2CCc3c(N4CCOCC4)cccc32)NC(N2CCOCC2)C1
MOL_02_009252,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(C3CC3)c2)n1
MOL_02_036092,NCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(CN)ncc1CN
MOL_01_031322,NC(CN1Cc2ccccc2C1N)NCCCCc1cccc(Cl)c1
MOL_02_004118,CN1C(O)CCC12CCC(NC(O)NCc1cccnc1)CC2
MOL_02_001415,Cn1cc(-c2ccc3c(c2)CCNC3NO)c(-c2ccncc2)n1
MOL_02_018228,NCc1nc(-n2cnc3ccccc32)ccc1N
MOL_01_028016,NCc1ccc(CNCC2(c3cccc4cc(F)ccc34)CC2)cc1N1CCNCC1
MOL_01_033032,Nc1ccc(C(N)C2CNC3(NC2)NC(C2CCCCC2)N3)cc1
MOL_02_032113,Nc1ccc2ncnc(N3CCC(N4CCCC4)C3)c2c1
MOL_02_009399,NCc1cc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)nc1N
MOL_01_031591,NCCCCNC(N)CCC(N)c1ccc(-c2ccccc2)cc1
MOL_02_017446,NCc1c(Cl)cccc1-n1cncc1-c1cccnc1N
MOL_02_026252,Cc1ccc(N2CCC(NCCO)CC2)n2ncnc12
MOL_02_019520,CCc1cnc(N2CCC(c3ncc4c(Nc5ccc(-n6cncn6)nc5C)nccn34)CC2)nc1
MOL_01_030155,Cn1ccc2cc(C(=O)c3ccc(CN)c(CN)c3CN)ccc21
MOL_02_006004,NC(N)NCCNC(O)C1CC(OCc2ccc3ccccc3c2)CN1C(O)C(Cc1ccccc1)NC(O)C1CCNCC1
MOL_02_016526,Nc1ncnc2c1c(-c1ccccc1)cn2C1CCNC1
MOL_02_005056,OC(CCN1C(O)c2ccccc2C1O)NCc1ccc(Cl)cc1
MOL_02_000650,CCCN(NO)C(O)NCCCC(NC(C)O)C(O)NCc1ccccc1
MOL_01_025374,NCc1cccc(-c2nnc3n2N=C(c2cc(CN)ccc2CN)CC3)c1
MOL_02_006487,NC(N)Nc1ccc(C(O)NCCC(O)NC(CC(O)O)C(O)NC(Cc2cccc3ccccc23)C(O)O)cc1
MOL_02_009325,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(Cl)(Cl)Cl)c3)cn2CCN2CCC2)CC1
MOL_02_002219,CC1(c2ccc(Nc3nn(C4CCC(O)CC4CN)cc3C(N)O)cc2)COC1
MOL_01_029652,Cc1ccc(C(N)c2cc3c(cc2NC(N)c2cccc(CN)c2)CCCC3)cc1
MOL_02_023072,NCc1cnn(C2CCN(c3ncnc4c3CCC4)C2)c1
MOL_01_030059,NCc1cc(CCc2ccc(C3=Cc4ccccc4C4=CCCC34)cc2)cc(CN)c1CN
MOL_01_031851,NC(Nc1ccc(C(N)N2CCN(CC3CCCCC3)CC2)cc1)N1Cc2ccccc2C1
MOL_02_026271,NCC1CN(CCCn2c(O)nc3ccccc32)CCN1c1cnccn1
MOL_02_013392,Cc1cc(C(C)N)cc(-n2cnc3cc(C)c(C)cc32)n1
MOL_01_028463,NC(Nc1ccc(F)c(Cl)c1)c1cccc2c1C(N)c1ccccc1-2
MOL_02_009358,NCc1ccc(CC(N)C(O)N2CCN(c3ncnc4ccccc34)CC2)cc1
MOL_02_007046,NCCCCC(NC(O)C(CCCNC(N)N)NC(O)C1CC1)C(O)NC(c1ccc(OCc2ccccc2)cc1)C(N)O
MOL_02_032286,OC(CCC(O)N1CC(O)Nc2ccccc21)NCc1ccc(-n2cncn2)nc1
MOL_02_006278,COc1ccc(C(O)NC2CCC3NCCN32)cc1
MOL_02_031852,NC(Nc1ccncc1)c1ccc(Cn2ccc3ncccc32)c(Cl)c1
MOL_01_031958,NCc1ccc(C(N)NCc2cccc(-c3cccc(CN4CCNCC4)c3)c2)cc1
MOL_02_031237,CCc1nc2n(n1)CCCC2NC(O)c1cc(N2CCNC(O)C2)ccn1
MOL_02_009688,CCN(CC)CC1CN(C(O)Cc2nc(O)cc(N3CCOCC3)n2)c2ccccc21
MOL_02_006523,CN(c1ccccc1)C(O)CCNC(O)c1ccc(C(C)(O)O)c(N(O)O)c1
MOL_02_021798,NCc1cccnc1N1CCCN(Cc2cnn3c2CCC3)CC1
MOL_02_009218,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(Cl)c2Cl)n1
MOL_01_030939,CCNc1cc(CC(C(N)c2ccc(F)cc2)C(N)(N)Cc2ccc(F)cc2)ccc1N
MOL_02_001276,NCc1c(N)n(CCNC(O)Nc2ccccc2)c2nc3ccccc3nc12
MOL_02_029562,NC1CCN(C2CCN(c3ncnc4c3CCC4)C2)CC1
MOL_02_035058,Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5nccn5C)CC4)nc3)c3c(CN)cnn3c2)cn1
MOL_01_026025,Nc1nc(CCC(N)NC(CO)Cc2ccccc2)nc2ccccc12
MOL_02_009630,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccccc2Cl)n1
MOL_01_026680,N=C(CCn1c(=N)c2cccn2c2ccccc21)Nc1ccc(N)cc1N
MOL_02_004354,NC(N)NCCCC(N)C(O)Nc1ccc(N(O)O)cc1
MOL_01_029025,NCc1ccc(C(N)C2CCCN(CCc3ccccc3)C2)cc1CN
MOL_02_029864,Cc1nc2ccc(Cl)cn2c1-c1cc(CN)cc(Nc2ccccc2)n1
MOL_01_032899,NCc1ccc2ncc3cc(CN)c(CN)cc3c2c1
MOL_01_031544,CC(N)N1CCc2ccc(C(N)CCCN(C)Cc3ccccc3)cc2CC1
MOL_02_019670,Cc1cccc(-c2cnn3ccc(C(O)Nc4ccccc4N4CCN(CCNC(N)N)CC4)nc23)c1
MOL_02_012062,Nc1ncnc2c1ncn2C1CCNC1
MOL_01_026990,N=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=N)Nc1ccccc1Cl
MOL_02_002930,CCCCNc1nc(NCc2cccc(-c3ccccc3)c2)nc(N2CCCC2CNC(O)(O)c2ccc(C(Cl)(Cl)Cl)cc2)n1
MOL_01_026842,Cc1nc2c(N)cccc2cc1CC(CCN)C(N)c1cccc(Cl)c1
MOL_02_045625,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
MOL_01_030154,CN(C)CCCNC(=N)C(Cc1ccc(Cl)cc1)NC(=N)C1(c2ccc(Cl)cc2)CC1
MOL_02_036127,Cc1ccc(CN)cc1-n1c(N)nc2cnccc21
MOL_01_031136,NCc1ccc(C(=O)C2CCC=C2CCc2cccnc2)cc1CN
MOL_02_020165,NCc1ccnc(N2CCn3cnnc3C2)c1N
MOL_01_026964,CC(=N)Cn1nc(-c2ccccc2)cc(NCCc2ccccn2)c1=N
MOL_01_026226,CC(N)c1cc(Cl)ccc1NC(N)c1cccc(-c2cnc3ccccc3c2)c1
MOL_01_030015,NCc1cccc(C(O)Nc2cccc(Nc3cc4c(O)nnc(O)c4cc3Cl)c2)c1
MOL_02_011443,Nc1nccn2c(C3CCCNC3)nc(Cl)c12
MOL_02_009351,Cc1ccc(C(CNC(C)C)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1Cl
MOL_02_034456,CNCC1COCCN1c1cc(C)nc2ncnn12
MOL_01_022430,NCCN1CCN(Cc2ccc(CNC(=O)C3=C4C(=O)N=CN=C4C=C3)cc2)CC1
MOL_01_030960,CCc1cc(-c2cccc(OC)c2)c(O)c(CCN)c1O
MOL_02_021869,Cc1nccc(-c2cnc(N3CCC(Cl)C3)c(CN)c2)n1
MOL_02_027560,CNCC(CN)C1CCC(N)C(C(N)c2cc(N3CCn4ncnc4C3)ncn2)C1
MOL_02_019179,Cc1cc(N2CCN(c3ccc(CN)c(C)c3)CC2)n2ncnc2n1
MOL_02_037084,CCCCn1c(N2CCNCC2)nc2c1CN(CCc1ccccc1)C(N(C)C)N2
MOL_02_004129,NCC(CCCc1ccccc1)C(O)Nc1ccccc1
MOL_02_033406,OC(Nc1ccc2c(c1)CCCO2)N1CCC(Cn2cncn2)CC1
MOL_02_045700,CCOC(O)C1CCN(C(O)(O)NCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1
MOL_02_001971,Cc1ccc(C(O)(O)N(C)CC2Oc3ccc(NC(O)Cc4cn(C)c5ccccc45)cc3C(O)N(C(C)CO)CC2C)cc1
MOL_01_024575,Cc1cccn2cc(-c3cccc(CC(=O)c4cc(CN)c(CN)c(CN)c4)c3)nc12
MOL_02_031712,CN1CCCC(CNCc2cccc3nccn23)C1c1ccnn1C
MOL_02_022209,Cc1cc(N2CCC(NC(O)NCc3nnc4n3CCCCC4)CC2)nc(C)n1
MOL_02_037484,OC(NCc1cccnc1-n1cccn1)NC1CCN2CCCCC12
MOL_02_012628,CNc1ncc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CCN(C)C)CC2)cn1
MOL_02_009515,Cc1cc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)ccc1Cl
MOL_02_030129,Cc1cc(N2CCN(C)CC2CN)n2ncnc2c1
MOL_01_030618,CCCCCCCC1=C(CN)C(c2ccc(F)cc2)NC(N)N1
MOL_02_002646,Cc1ccc(NC(O)CC2CC(Nc3ccccc3C)NC2O)c(C)c1
MOL_02_009407,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN2CC(C)C2)CC1
MOL_02_001046,Cc1ccc(C(Cl)(Cl)Cl)cc1NC(O)C(OC(O)CNC(O)c1ccc(N(C)C)cc1)c1ccccc1
MOL_02_005604,Oc1ccc(CNNC(O)C2NC(O)(O)c3ccccc3C2O)c(O)c1
MOL_02_023222,CCc1cc(N2CCCC(NC(O)NC3CCc4ncnn4C3)C2)ncn1
MOL_02_012622,NCc1cccc(-n2cncc2-c2ccc(N)nc2)c1
MOL_01_030564,Nc1c(C(N)N)cccc1C(N)CCc1cccc(CCc2ccc3ccccc3n2)c1
MOL_01_031898,NC(CCC(N)c1ccccc1)NCc1cccc(C(F)(F)F)c1
MOL_01_028516,NC(N)CCc1ccc(-c2ccc(Cl)cc2)cc1C(N)c1cnn(-c2ccccc2)c1
MOL_02_008846,OCC(NC(O)C(Cc1ccccc1)NC(O)OCc1ccccc1)C(O)O
MOL_01_031129,Cc1ccc(CCC(=N)Cn2ccn(-c3cc(C)cc(C)c3)c(=N)c2=N)cc1
MOL_02_009219,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC2CCN2)CC1
MOL_02_031117,CN1CCCC(CNCc2cnc3cnccn23)C1c1ccnn1C
MOL_01_030965,NCc1cccc(C(N)C(N)N2CCN(c3ccccc3)CC2)c1
MOL_02_008243,CNC(O)c1cc(Oc2ccc(NC(O)(O)c3ccc4ccccc4c3)cc2)ccn1
MOL_02_030880,CNC(NCc1cccnc1-n1ccnc1)N1CCN(c2cnn(C)c2)C(O)C1
MOL_02_005765,CN(C)CCCOc1ccc(C(NC(O)c2ccc(-c3cccc(NC(O)c4ccccc4)c3)o2)C(O)N2CCNCC2)cc1
MOL_02_031483,CC(N)c1cc(Cn2cnc3c(N)ncnc32)ccc1Cl
MOL_02_000580,CC(C)C(N)C(O)NC(C)C(O)NC(Cc1ccccc1)C(O)CC(C)C(O)NC(C(C)C)C(O)NCc1ccncc1
MOL_02_017395,CNCCC1CCCCN1c1cc(C)nc2ncnn12
MOL_01_028142,NC(=O)c1ccc(CC(=O)CCC(=O)Cn2cnc3ccccc32)cc1
MOL_02_006909,Cc1ccc2c(c1)C(c1ccccc1)N(C(N)O)CC(O)N2C
MOL_02_012862,NCC(CN)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN2CCC2)CC1
MOL_02_020010,Cc1cccc(-n2nc(CN)c(N3CCc4ccccc4C3)n2)c1C
MOL_01_032908,CC1Cc2c(CN)ccc(CN)c2CC1NCCCCc1ccccc1
MOL_02_003421,Cc1ccc2c(c1)CCC2NC(O)Nc1ccc2c(c1)N(C)C(O)CC2
MOL_02_002039,Cc1ccc(NC(O)CC(N)NO)cc1C
MOL_02_009907,CCCCNCCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1
MOL_02_016884,Cc1cccc(N2CCN(CCCn3cnc4c(N)ncnc43)CC2)c1
MOL_02_034328,NCc1ccccc1Cn1cnc2c(N)ncnc21
MOL_01_029806,CCc1ccc(Cl)cc1NC(N)CN(C)C(N)c1ccc(-n2cncn2)cc1
MOL_01_027072,N=C(N)CC(NCc1ccccc1)c1ccc(Cl)cc1Cl
MOL_02_003225,COc1cc(CCC(O)OCC2OC(OC3OCC(C(O)O)C4CCC(C(O)O)C34)C(O)C(O)C2O)ccc1O
MOL_01_031756,CCN(Cc1c2ccccc2c(Cl)c2ccccc12)C(=N)C(N)CCCCN
MOL_02_021988,CCN1CCCC(n2c(C)c(C)c3c(N)ncnc32)C1
MOL_02_045787,CC(N)C(O)NC(Cc1ccccc1)C(O)O
MOL_02_031367,CNc1cc(N2CCC(N)C2)ncn1
MOL_02_009096,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(C(Cl)(Cl)Cl)c2)n1
MOL_02_019247,NCc1ccc2ncc(CNC3CCN(c4ccccc4Cl)C3)n2c1
MOL_01_028695,NC(N)c1ccccc1CCC(N)N1CCCc2ccccc21
MOL_02_013546,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21
MOL_02_017292,Cn1ncc2c(NCC3CCCN(CCO)C3)nc(-c3ccncc3)nc21
MOL_02_004713,CN(C)CCCn1cc(C2C(O)NC(O)C2c2cn(C)c3ccccc23)c2ccccc21
MOL_02_019259,OCCN1CCN(c2cc3nnc(O)n3cn2)CC1
MOL_02_036628,c1cnc(-n2nc(Cn3cnc4ccccc43)c3c2CCNC3)nc1
MOL_02_045680,Cc1cccc(NC(O)NC2NC(c3ccccc3)c3ccccc3N(CC(O)C3CCC3)C2O)c1
MOL_02_025161,NCc1cccc(Cl)c1N1CCN(c2ccncn2)CC1
MOL_02_009006,Cc1ccc(CC(N)C(O)N2CCN(c3ncnc4c3CC(O)(O)C4)CC2)cc1
MOL_01_030373,CCC1CCCCN1CC(N)Nc1cc(CN)c(CN)cc1CN
MOL_01_031183,CCN1C(=N)C(NC(=N)Cc2ccccc2)C1NC(=N)c1ccccc1
MOL_02_003852,CCCCC(Cc1ccc(Cl)cc1)C(O)OCC(NC(O)C(CCC)CC(O)NCCO)c1ccccc1
MOL_01_027066,Cc1ccnc2c(NCCC(N)N)cc(CN)c(Cc3cccc(C(F)(F)F)c3)c12
MOL_01_029517,CNC(N)c1cccc(NC(N)N2CCC(Cc3cc(F)ccc3Cl)CC2)c1
MOL_02_018011,Cc1ccc(C(CN)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1Cl
MOL_02_012237,NCc1ccc2c3ccc(CN)cc3n(-c3ccc(-c4cnc(CN)nc4)cc3CN)c2c1
MOL_02_014158,Cc1ccc2c(N3CCN(CCc4cccc(-n5ccnc5O)c4)CC3)cccc2n1
MOL_01_028873,NCc1cc2c(cc1CN)CN(CCc1ccc(NC(N)CCc3ccccc3N)cc1)CC2
MOL_01_026885,CC1CC(=N)N(C(=N)NCCCN2CCC(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1
MOL_02_029767,c1ccc2c(CCN3CCN4CCC(c5ccncn5)NC34)cccc2c1
MOL_01_024871,CCNC(=N)c1cccc(-c2c3c(c(N)c4ncccc24)C(=N)N(Cc2ccc(F)cc2)C3)c1
MOL_02_011477,Nc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)ncn1
MOL_01_030829,NCCCc1ccc2c(c1)CCC(C(=O)CC(N)Cn1ccnc1)=N2
MOL_01_029681,CN1CCc2cc(CN)c(CN)cc2C1CCc1ccc(Cl)cc1
MOL_02_030302,Cc1cc(N2CCN(CC(C)N)CC2)n2ncnc2n1
MOL_02_002968,OC(Cc1cccc(Cl)c1)NCCNCc1ccc2c(c1)CCO2
MOL_01_028913,C=C(CC1NNNNN1)c1ccc2c(c1)C(CCC)C(=C)C(N)(N)C2
MOL_02_009692,CC(C)(C)OC(O)n1ccc2c(NC(O)Cc3nc(O)cc(N4CCOCC4)n3)cccc21
MOL_02_015152,Cc1ccc(CN)c(N2CCCC(Cc3nnc4ccccn34)C2)n1
MOL_01_030513,Cc1cnc(O)nc1CCC(O)Nc1cc(C(F)(F)F)ccc1Cl
MOL_02_033703,CN1CCc2c(cc3ncn(CCN4CCN(c5cccc6ccccc56)CC4)c(N)c2-3)C1
MOL_02_031029,OC(NCc1ccc(N2CCOCC2)nc1)C1CC(O)N(c2ccc3c(c2)CCC3)C1
MOL_02_009694,CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(C(Cl)(Cl)Cl)c3)cn2CCN2CCC2)CC1
MOL_01_032075,CCC(CC(N)c1cc(CN)nn1C)c1ccc(Cc2ccccc2)cc1
MOL_02_013108,Cc1cc(-c2cn(CCN(C)C)c(C3CCN(c4ncnc(N)c4C)CC3)n2)ccc1Cl
MOL_02_012820,NCc1ccc(-n2cncc2-c2ccc(N)nc2)cc1
MOL_02_019086,Cc1nc2ncnn2c(N2CCN(c3nc4c(cc3CN)CCC4)CC2)c1C
MOL_02_006584,NCC(NNC(O)Cc1ccccc1)c1cccc(O)c1
MOL_02_024427,NCC(CNCCO)c1cnc(N)c(NCc2ccn3nccc3c2)n1
MOL_02_014159,Oc1nc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1
MOL_01_027797,NCc1ccc(CN)c(Nc2c(CN)cnc3ccc(Cl)cc23)c1
MOL_01_029544,NC(CCc1cccc2cccnc12)N1CCc2ccccc2C1
MOL_02_022137,Nc1ncnc2c1ccn2NC1NCCN1CCO
MOL_01_029052,NC(Cc1ccccc1)CC1NC(N)(N)Cc2ccc(F)cc21
MOL_01_031198,CC(C)NCc1cc(-c2cccc(NC(N)c3cccc(Cl)c3)c2)ccc1CN
MOL_01_027099,NC(CCC(N)NCCc1ccccc1)Cn1cnc2ccccc21
MOL_02_009663,Cc1ccc(C(NC(C)(C)C)c2ccc(-c3ccncc3)cc2)cc1
MOL_01_026037,NCCC(CN)Cc1cc(NCc2ccccc2)c2ncn(C(N)N)c2c1
MOL_02_016155,CC(CN1CCN(c2ccccc2)CC1)Cn1cnc2c(N)ncnc21
MOL_02_012367,NCc1cnc(-c2ccc(-n3c4cc(CN)ccc4c4ccc(CN)cc43)c(CN)c2)nc1
MOL_02_000395,Cn1nc(C(O)Nc2ccccc2CN)c2c1-c1ccccc1CC2
MOL_01_030008,NCC1=C(CCc2ccc(O)cc2)CC2(CCC(C(=O)O)CC2)NC1=O
MOL_02_037086,NCc1cnc2c(NC3CC3)cc(Nc3ccc(N4CCOCC4)c(N(CN)CN)c3)nn12
MOL_02_018953,NCc1cccc(-n2c(N)nc3cnccc32)c1
MOL_02_024200,CCNC(NCc1nnc2n1CCCC2)NC1CC(C)N(Cc2ccccc2)C1
MOL_02_008958,CC(C)(C)C(O)CN1c2ccccc2N(C2CCCCC2)C(O)N(CC(O)Nc2cccc(CCC(O)O)c2)C1O
MOL_02_009227,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN2CCC2)CC1
MOL_02_033621,CNCC1CCCN(c2ccn3nccc3n2)C1
MOL_02_020595,OC(NCCCN1CCCc2ccccc21)C1CCN(c2nnc3ccccn23)CC1
MOL_02_036055,NCc1cc(CN)c(-n2c3ccccc3c3cc(-c4ccccc4)ncc32)c(CN)c1
MOL_02_009798,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)cc2Cl)n1
MOL_02_020237,Cc1cc(N2CCN(c3ccc(CN)cn3)CC2)n2ncnc2n1
MOL_02_008525,CCC(O)Nc1ccc(C(O)Nc2cc(Oc3ccc4c(C(O)NC)cccc4c3)ccn2)cc1
MOL_02_024263,Cn1nccc1-c1ccc(C(O)NC2CNCCC2c2cc(Cl)cc(Cl)c2)c(Cl)c1
MOL_02_014978,Nc1nccn2c(C3CC(N4CCNCC4)C3)nc(Cl)c12
MOL_02_009112,Cc1ccc(CC(N)C(O)N2CCN(c3ncnc(N)c3Cl)CC2)cc1
MOL_02_019302,CC(Nc1cncc(-n2cnc3ccc(CN)cc32)n1)c1cccnc1
MOL_02_006635,NNNCC1CC(c2ccc(N3CCOCC3)cc2)ON1
MOL_01_031552,NC(Nc1cccc(CN2CCC(C(N)NC3CCCCC3)CC2)c1)C1CCCC1
MOL_01_028141,Cc1ccc(OCC(C)(O)C(N)Cc2ccc(CO)c(C(F)(F)F)c2)cc1
MOL_02_009700,Oc1cc(N2CCOCC2)nc(CC(O)Nc2cc(Cl)c(Cl)cc2Cl)n1
MOL_02_032284,OC(NCc1cccc(N2CCCCC2O)c1)C1CCN(c2ccc3nncn3n2)CC1
MOL_02_009499,Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(Cl)(Cl)Cl)c4)cn3CCN3CCC3)CC2)c1OCC(Cl)(Cl)Cl
MOL_01_029665,NC1c2c(F)c(F)c(F)c(F)c2C(N)N1C1Cc2ccccc2C1
MOL_02_024580,c1cc2c(c(CN3CCC(c4nnc5cnccn45)CC3)c1)CCNC2
MOL_01_030427,Cc1c(CN2CCN(Cc3ccc(NN)cc3N)CC2CCN)ccc(NN)c1C
MOL_01_032570,Cc1ccc2cc(-c3cccc(CN)c3)cc(O)c2c1
MOL_02_009919,Cc1cc(Cl)ccc1NC(O)Cc1nc(O)cc(N2CCOCC2)n1
MOL_02_035818,NCc1ccc(C(O)N2CCC(n3c(O)nc4cncnc43)CC2)cc1
MOL_02_026737,Cc1nn(C)c2ncc(NC(O)N3CCN(c4ccccc4O)CC3)cc12
MOL_02_030708,Cc1nc(N2CCCC(CCO)C2)cc2nnc(O)n12
MOL_02_036173,NCc1ccc(-n2cnc3ccccc32)c(CN)c1
MOL_02_001359,Cn1cc(C2C(O)NC(O)C2c2cn(CCCCC(N)N)c3ccccc23)c2ccccc21
MOL_02_009784,CC1CCc2ncnc(N3CCN(C(O)C(N)Cc4ccc(Cl)c(Cl)c4)CC3)c21
MOL_02_005293,NC(O)NNCc1c(O)ccc2ccccc12
MOL_01_027950,Cc1nc(CCc2ccccc2Cl)c2c(c1CN)CCN(Cc1ccccc1)C2
MOL_02_004070,OC(CCCCc1ccc2c(c1)OCO2)NC1CCCC1
MOL_02_030100,CNC1CCCN(c2cc(C)nc3ncnn23)C1
MOL_02_034200,OC(NCc1cccc(Cl)c1)NC1CCN(c2cc3c(nn2)CCCC3)CC1
MOL_02_020528,NCc1cccc(-c2cncnc2-n2ccnc2)c1
MOL_02_026949,COc1ccc(CCNC(O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1
MOL_02_034052,Cc1nccn1-c1ccc(CNC(O)C2CC3CCCC(C2)C3N)cn1
MOL_02_036203,c1cn2c(CN3CCC(c4ncc5n4CCCC5)CC3)cnc2cn1
MOL_01_032329,CCCc1cccc(NCc2ccccc2C(=N)N)c1C(=N)N
MOL_02_028574,NCCOC1CCN(c2cc3nnc(O)n3cn2)CC1
MOL_01_028169,NCc1cc(-c2cccc3ccccc23)cc2c1CNCC(Cc1cccnc1)C2
MOL_01_029808,NC(Nc1ccc(Cc2cccnc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1
MOL_01_032251,Cc1c(CN)c(=N)oc2cc(NCc3ccccc3)ccc12
MOL_01_031356,N=C(NCNCNNN)c1cccc2c1-c1ccccc1C2=N
MOL_02_017125,Nc1ncnc2c1ncn2CCCCc1nc2ccccc2n1CCc1ccccc1
MOL_02_030815,CNC(NCc1nccn1Cc1ccccc1)N1CCN(c2cnn(C)c2)C(O)C1
MOL_01_028242,N=C(CC1NCCc2ccccc21)Nc1c(N)cc(Cl)cc1Cl
MOL_02_027477,CNCC1CCCCN1c1cc(C)nc2ncnn12
MOL_01_027345,N=C(Cc1ccccc1CN)N1CCCc2cc(N)ccc21
MOL_02_018028,CCNCC(c1ccc(Cl)cc1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1
MOL_01_019876,CNCCC(c1ccccc1)n1c(=N)n(C(N)N)c2ccccc21
MOL_02_032473,Cc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)c(CN)c(C)n1
MOL_02_006949,NCc1ccc(C(O)Nc2ccc(C(O)N3CCCC3CN)cc2)cc1
MOL_02_009809,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC2CNC2)CC1
MOL_02_023471,NCCCN(CCCN)c1ncnc(-n2cnc3ccccc32)c1N
MOL_02_015385,NCc1c(N2CCC(n3cncn3)C2)nc2ccccn12
MOL_02_033030,NCc1ncn(-c2ncnc3ccccc23)c1CN
MOL_02_003963,CCN(CCO)C1CC(O)N(c2ccccc2C)C1O
MOL_02_035001,Cc1cc(N2CCC(CN)CC2)n2ncnc2n1
MOL_02_045645,Cc1ccc(CC(NO)C(O)NCCCCCCNC(O)C(Cc2ccc(C)cc2)NO)cc1
MOL_02_034864,Clc1nc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ccc1N1CCNCC1
MOL_02_003402,CCNC(O)Nc1ccc(Oc2ncnc(N)c2CNOC)cc1C
MOL_01_032569,CCc1cc(CC)cc(C(N)NCC2(CN)CCN(CCc3ccccc3)CC2)c1
MOL_01_031506,CC(O)c1ccc(C(O)Nc2ccc(CN)cc2CN)cn1
MOL_02_019125,Cc1cccc(-c2ccccc2CN2CCN(CCCn3c(O)nc4ccccc43)CC2)c1C
MOL_01_030558,CC(N)C1(NC(N)c2cccc3c2CCCC3)Cc2ccccc2C1
MOL_02_006349,Cc1ccc(-c2ncccc2Cl)cc1C(O)Nc1cc(C(O)NC2CCCNC2)nn1-c1ccccc1
MOL_01_025936,C=C(CC1C(=C)N(c2ccc(Cl)cc2)C(=C)N1CNCN)Nc1cc(CN)cc(CN)c1
MOL_02_011312,Cc1cc(N2CCN(c3ncccc3CN)CC2)n2ncnc2n1
MOL_02_010059,CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(Cl)(Cl)Cl)c3)cn2CCN2CCC2)CC1
MOL_02_025365,CCC1CCCCN1CCCn1cnc2c(N)ncnc21
MOL_02_002386,NCC(Cc1ccc(-c2ccc3c(c2)CC(O)N3)cc1Cl)NC(O)C1NC2CCC1C2
MOL_01_026732,Cc1ccc2c(Cl)cc(Cl)c(CCC(N)CCC(N)Nc3ccc(CN)cc3)c2n1
MOL_02_035422,NCc1ccc(N2CCC(NC(O)N3CCCC3c3nnc4n3CCCCC4)CC2)nc1
MOL_02_019317,OC(NCc1nncn1C1CCCCC1)N1CCN(c2ccccc2)C(O)C1
MOL_02_009952,Cc1ccc(C2CC(CC(O)O)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C
MOL_01_030127,N=C(NCc1ccc(CN)cc1)C1CCC(CNC(=N)C2Cc3ccccc3CN2)CC1
MOL_02_015444,Nc1ncnc(N2CCC(CN3CCC(Cl)(Cl)C3c3ccc(Cl)cc3)CC2)c1-c1ccc(Cl)cc1
MOL_02_004549,Cc1nc(CN)c(NCc2ccc3c(c2)OCO3)o1
MOL_02_009937,Cc1cc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)cc(C)c1Cl
MOL_02_024423,Cc1c(CCN(CCN)Cc2cnn(-c3cc(N)c(CN)cn3)c2)ccc2c1CCC2C
MOL_02_009748,Cc1ccc(CC(CC2(N)CC2)C(O)N2CCN(c3ncnc4c3C(C)CC4)CC2)cc1Cl
MOL_02_027581,Cc1nc(Nc2c(CN)cnn2-c2cc(C)c3cccc(C)c3n2)cc(N2CCN(C)CC2)n1
MOL_01_031044,NCc1cc(CN)nc(NC2CC(=O)c3ccccc32)n1
MOL_01_033001,Cc1cccc(C(N)CCC(C)CNCCc2ccc(CN)c(CN)c2)c1
MOL_02_000508,Cc1ccc(CCNC(O)(O)c2ccc3c(c2)NC(O)C(C)C(O)N3)cc1
MOL_02_032775,Cc1ccc2c(c1)nc(O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1
MOL_02_006578,ON(O)c1cc(Oc2cccnc2)cc(N(O)O)c1
MOL_02_024612,Cc1cn2c(-c3nccc(N4CCNC(C5CCNC5)C4)n3)cnc2cn1
MOL_01_027062,NCCCn1nc2cc(C(N)CCc3ccc4c(c3)CCC4)ccc2c1CCN
MOL_02_026558,Nc1ncnc2c1ccn2C1CCNCC1
MOL_02_009304,Oc1cc(N2CCOCC2)nc(CC(O)N2CCc3c(-c4ccccc4Cl)cccc32)n1
MOL_01_028750,NCc1cnn(-c2ccccc2)c1NC(O)C(O)NCCc1ccccc1
MOL_02_014886,Cc1ccc(CCCNCCCC(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1Cl
MOL_01_029781,NCc1ccc2c(c1)C=C(C(N)c1cccc(N)c1N)CC2
MOL_01_027523,CCC(=O)c1ccc(N)c(CC(=O)Cn2cnc3ccccc3c2=O)c1
MOL_02_031283,Cc1cc(N2CCC(C)C(CN)C2)n2ncnc2c1
MOL_01_026693,N=C(NCCN1C(N)CN(c2cccc3c2CCCC3)CC1N)c1ccc(F)cc1
MOL_02_032075,NCCN1CCN(c2cc3nnc(O)n3cn2)CC1
MOL_02_045622,CN(C)C(O)C(N)CCCCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
MOL_01_029205,CC(C)c1ccc2c(c1)C(C(=N)N)c1ccccc1C=C2
MOL_01_032968,NC(N)CN(C1CCCC1)C(N)C1Cc2ccc(Cl)cc2C1
MOL_02_004145,CCOc1ccc(NC(O)c2ccc(Cl)c(C(O)(O)NCc3ccc4c(c3)OCO4)c2)cc1
MOL_01_028294,NCCCc1ccc(F)c2c1CC(=O)N2
MOL_02_002519,Cc1ccc(CC(NC(O)CCN)C(O)N2CCN(c3ncccc3CNC(O)OCc3ccccc3)CC2)c(C)c1
MOL_02_019446,OC(Nc1cccc2cccnc12)NC1CCN(c2ccccn2)C1
MOL_01_032668,CC(O)c1cc2ccccc2cc1NC(O)Nc1cccc(C(F)(F)F)c1
MOL_02_012409,NCc1ccc2c(c1)c1cc(CN)ccc1n2-c1cc(-c2ccccc2CN)cc(-n2c3ccccc3c3cccnc32)n1
MOL_01_024970,NCc1cc(-n2cnc3cccc-3c2N)ccc1CCCN1CCCC1
MOL_02_017108,Cc1nc2cnccc2n1-c1ccc(CN)cc1Cl
MOL_01_032027,NCc1cccc(C(O)Nc2cccc(Cc3cccnc3)n2)c1
MOL_02_017126,c1cc(NC2CCN3CCCCC23)cc(-n2ccnc2)c1
MOL_02_027151,Cc1nc(N2CCOCC2CN)cc2nnc(O)n12
MOL_02_030290,Cc1nc2ncnn2c(N2CCC(NC3CC3)CC2)c1C
MOL_02_009803,Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccc(Cl)c(Cl)c2Cl)n1
MOL_02_000980,CC(O)NC(c1ccco1)C(O)NCc1ccccc1
MOL_02_036467,NCC(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
MOL_02_009427,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C)c(Cl)c3)cn2CCN2CCCC2)CC1
MOL_02_027443,c1nc2c(Nc3ccc(N4CCOCC4)cn3)cc(C3CCCNC3)cn2n1
MOL_02_009086,Cc1ccc(C(NC(C)C)c2ccc(-c3ccncc3)cc2)cc1
MOL_02_001925,Cc1ccc(CN2CCN3C(C)C(O)C(N(O)O)C23)cn1
MOL_02_031590,Nc1ncccc1-c1cncn1CCN1CCCC1
MOL_02_009738,CCc1cc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)ccc1Cl
MOL_02_008288,Cc1ccc(C(O)Nc2cc(N(C)CCN(C)C)cc(C(Cl)(Cl)Cl)c2)cc1Nc1ncnc2cnc(NCCCl)nc12
MOL_01_029245,N=C(CCc1ccccc1N)NCC(c1ccccc1CN)N1CCCC1
MOL_02_017407,CC1CC(O)c2ncnc(N3CCN(C(O)C(CNC4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21
MOL_02_033266,Oc1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CC(O)c5ccccc5)CC4)cc2C3)n1
MOL_01_030005,CC(C)N1CCC1(C)C(O)Nc1cccc(CN)c1CN
MOL_02_004547,CC(NC(O)c1cccc(N2CCCC2O)c1)c1ccc2c(c1)OCCO2
MOL_02_009312,Oc1cc(N2CCOCC2)nc(CC(O)N2CCc3c(-c4ccncc4)cccc32)n1
MOL_02_019697,NC1c2ccccc2CC12CCN(c1ncc(Cc3cnc4ccccn34)nn1)CC2
MOL_01_022006,N=C(Cc1ccc(Cl)cc1)NC(Cc1ccc(Cl)cc1)C(=N)NC1CCCNCC1
MOL_02_001795,COC(O)C1CC2(CC(O)N(c3cc(C)cc(C)c3)C2O)N(NO)N1
MOL_01_026558,NCC1C(N)N(c2ccc(CCc3ccccc3)cn2)CC1(N)N
MOL_01_027394,Nc1cc(CCC(N)c2ccccc2NC(N)CCc2ccc(Cl)cc2)nc2cccn12
MOL_02_029643,OC(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1
MOL_02_020036,Cc1cc(N2CCN(c3ccc(CN)nc3)CC2)n2ncnc2n1
MOL_02_015195,Cc1nccc(-c2ccc(N3CCC(Cl)C3)c(CN)n2)n1
MOL_01_028324,NC(N)(N)c1ccc(CCCn2cnc3ccccc32)c(Cl)c1
MOL_01_026274,Cn1cc(C(=N)NCc2ccccc2ON)c(=N)c2cc(CN3CCCC3)ccc21
MOL_02_000588,Oc1ccc(-c2cccc(C(O)c3ccc(Cl)c(O)c3)n2)cc1O
MOL_01_029990,Cc1nc(CCC(=O)N2CCNC2=O)c(CN)c(C)c1C