| 1 |
MOL_02_034697 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNCC4CC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 |
| 2 |
MOL_02_015514 |
NCC1(c2cccc(-c3ccccc3)c2)CCN(c2ncnc3c2CCN3)CC1 |
| 3 |
MOL_02_033292 |
CCNC(O)Nc1nc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)cc1CN |
| 4 |
MOL_02_034107 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 |
| 5 |
MOL_02_009815 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 |
| 6 |
MOL_02_018026 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CNCC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21 |
| 7 |
MOL_02_013706 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNC4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21 |
| 8 |
MOL_02_009783 |
Cc1ccc(C2CCNCC2NC(O)c2cc(Cl)c(-c3c(Cl)cnn3C)o2)cc1 |
| 9 |
MOL_01_030091 |
CC(N)Cc1ccc(CC(C)N)c2cc(CCCn3cnc4ncccc43)ccc12 |
| 10 |
MOL_02_017700 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CNC4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21 |
| 11 |
MOL_02_009744 |
Cc1ccc(C2CC(CC(O)NCCO)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C |
| 12 |
MOL_02_009326 |
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(N)O)c3)cn2CCN2CCC2)CC1 |
| 13 |
MOL_02_009835 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CNC(C)(C)C)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 |
| 14 |
MOL_01_031295 |
NCc1ccc(C2=CCC3=NCCN23)cc1CN |
| 15 |
MOL_02_009945 |
Cc1ccc(C2CCNCC2NC(O)c2cc(-c3c(C)cnn3C)cn2C)cc1 |
| 16 |
MOL_02_023489 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CN)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21 |
| 17 |
MOL_02_009761 |
Cc1ccc(C2CC(CC(O)NCC(O)CO)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C |
| 18 |
MOL_02_000496 |
CN(C)c1cccc(CNCC(O)C(Cc2cc(Cl)cc(Cl)c2)NC(O)C2CN(Cc3ccccc3)C(O)N2)c1 |
| 19 |
MOL_02_034109 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CCNC4CCOCC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21 |
| 20 |
MOL_01_026467 |
CC1=C2C(=C(C)c3cc(CN)c(CN)cc32)C(=O)C=C1 |
| 21 |
MOL_02_045597 |
COc1ccc2nccc(CCN3CC(O)C(CNCc4ccc5c(n4)NC(O)CC5)C3)c2n1 |
| 22 |
MOL_02_009702 |
Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccccc2OCCN2CCCCC2)n1 |
| 23 |
MOL_01_030056 |
NC(CCCCc1cccnc1)C1(c2ccc(F)cc2)CC1(N)N |
| 24 |
MOL_01_027820 |
Nc1ccc2nc(CCC(O)CCC(O)c3ccc(F)cc3)cc(O)n12 |
| 25 |
MOL_01_024595 |
NC(N)(N)CC(c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 |
| 26 |
MOL_01_030681 |
NCC(c1ccc(Cl)cc1)C(N)Nc1ccc2cnccc2c1 |
| 27 |
MOL_02_015378 |
NC1(Cc2ccc3ccccc3c2)CCN(c2ncnc3c2CCN3)CC1 |
| 28 |
MOL_02_008350 |
CCCC(O)NC1Cn2c(c(-c3ccc(O)cc3)c3c(N)ncnc32)C1C |
| 29 |
MOL_01_025351 |
CCC(=N)N1CCc2cc(CNCCC(=N)NC3CCCc4ccccc43)ccc21 |
| 30 |
MOL_01_027955 |
CCn1c2ccccc2c2cc(C(N)C(N)Nc3ccc(CN)c(CN)c3)ccc21 |
| 31 |
MOL_01_040534 |
COc1ncc(C2SC(=N)NC2=O)cc1C(N)NCc1ccc(C(F)(F)F)cc1 |
| 32 |
MOL_01_030524 |
N=C(Cc1cccc(-c2cccc(C(=N)N)c2)c1)NCc1ccc2ccccc2c1 |
| 33 |
MOL_02_035850 |
CC(C)NCC(Cc1cccc(C(Cl)(Cl)Cl)c1)C(O)N1CCN(c2ncnc3c2C(C)CC3O)CC1 |
| 34 |
MOL_02_024246 |
Cc1ccc(C(O)NCC2(N)CCN(c3ncnc4c3CCN4)CC2)cc1 |
| 35 |
MOL_02_019447 |
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CCN)CC1 |
| 36 |
MOL_02_045713 |
NCC1C(CO)OC(n2cnc3c(N)ncnc32)C1O |
| 37 |
MOL_02_032565 |
CC(C)c1ccc(NC(O)NC2CCN(c3ncnc4ccccc34)C2)cc1 |
| 38 |
MOL_02_009548 |
CC1CC(O)c2ncnc(N3CCN(C(O)C(CN)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21 |
| 39 |
MOL_02_008766 |
COc1cc(C(O)NC2CCC(O)N(CC(O)NC(CCCCNC(O)c3ccccc3)C(O)OC)C2O)cc(OC)c1OC |
| 40 |
MOL_01_031718 |
CC(CN)(CCc1ccccc1Cl)NC(N)c1cccc(CC(F)(F)F)c1 |
| 41 |
MOL_02_009750 |
Cc1ccc(C2CCNCC2NC(O)c2cc(-c3c(Cl)cnn3C)co2)cc1 |
| 42 |
MOL_02_009587 |
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN2CCCC2)CC1 |
| 43 |
MOL_01_026672 |
NCc1cccc(-c2cc(NCCc3cccnc3)nc(CN)n2)c1 |
| 44 |
MOL_01_028275 |
CNc1cccc(CCc2ccc(C3C(CN)N(C(=N)C4CCCCC4)C3CN)cc2)c1 |
| 45 |
MOL_02_009355 |
Cc1ccc(C2CCNCC2NC(O)c2cc(Cl)c(-c3c(C)cnn3C)o2)cc1 |
| 46 |
MOL_02_045687 |
Nc1ncnc2c1ncn2C1OC(COC(O)(O)NC(O)C(N)CC(N)O)C(O)C1O |
| 47 |
MOL_02_009549 |
Cc1ccc(C2CC(CCN3CCC(O)CC3)NCC2NC(O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C |
| 48 |
MOL_01_016284 |
N=C(CC1C(=N)NCCN1Cc1ccccc1C(F)(F)F)NC1CCCCC1 |
| 49 |
MOL_02_030820 |
CCNC(NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)C(O)C1 |
| 50 |
MOL_02_045707 |
CC(O)(OC1C(O)OC(n2cnc3c(N)ncnc32)C1O)OC1C(O)OC(n2cnc3c(N)ncnc32)C1O |
| 51 |
MOL_02_045607 |
COc1ccc2nccc(N(C)CC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1 |
| 52 |
MOL_02_034523 |
NCc1cccc(-c2nc(N)c3nc(Cc4cncn5ccnc45)nn3c2-c2ccncn2)c1 |
| 53 |
MOL_02_009662 |
Cc1cccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)c1 |
| 54 |
MOL_01_029206 |
NCc1ccc(Cl)cc1NC(=O)c1cccc(-n2ccnc2)c1 |
| 55 |
MOL_02_024422 |
CC(C)Nc1ccnc(N2CCC(C(CN)n3cc(-c4ncnc5c4CCN5)cn3)C2)n1 |
| 56 |
MOL_01_026112 |
Cn1ccc2c(C(=N)c3cc(CN)c(CN)c(CN)c3)cccc21 |
| 57 |
MOL_01_027205 |
CN1C(=N)c2c(ccc(C(=N)NCc3ccc(F)cc3)c2CN)NC1c1ccc(F)cc1 |
| 58 |
MOL_02_025697 |
NCc1cc(Nc2nc(O)c3cnn(-c4ccccc4)c3n2)ccc1N1CCC(O)CC1 |
| 59 |
MOL_02_036379 |
CC1CCc2ncnc(N3CC4(CCNCC4)c4cc(CCN)ccc43)c21 |
| 60 |
MOL_01_032736 |
CCc1ccc(C(O)Cc2c(Cl)cncc2Cl)c(CCC(N)O)c1CC |
| 61 |
MOL_01_027648 |
Cc1ccc2c(CC(N)C(N)N)nc3ccnc(N)c3c2c1 |
| 62 |
MOL_01_002043 |
OC(C1NCCN1)N(Cc1cc2cc(F)nc(F)c2nc1F)C1CNCN1 |
| 63 |
MOL_02_007866 |
ONC(Cc1ccc2ccccc2c1)C(O)NCCCCCCNC(O)C(Cc1ccc2ccccc2c1)NO |
| 64 |
MOL_01_010651 |
NCCC(CCc1cccc2cnccc12)NCc1ccccc1 |
| 65 |
MOL_02_034492 |
CNC(O)Nc1nc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)cc1N |
| 66 |
MOL_02_009767 |
Cc1cnn(C)c1-c1cc(C(O)NC2CNCC2c2ccc(C(Cl)(Cl)Cl)cc2)oc1C |
| 67 |
MOL_02_022275 |
CNCC(O)COc1cccc(-c2nc(NCCCN3CCCC3O)cc(-c3cc4ccccc4o3)n2)c1 |
| 68 |
MOL_02_009775 |
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CCN)CC1 |
| 69 |
MOL_02_033063 |
NCc1cc2ccccc2nc1-n1cnc(CN)c1CN |
| 70 |
MOL_01_031450 |
CC(N)c1ccc(Cl)cc1NC(N)Cc1cccc2ccccc12 |
| 71 |
MOL_02_045648 |
CC(N)CCC(C)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
| 72 |
MOL_02_045763 |
NCCCCCC(CCN)CCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
| 73 |
MOL_02_024085 |
NCc1cnc2c(NC3CC3)cc(Nc3cc(N(CN)CN)cc(N4CCN(CCO)CC4)c3)nn12 |
| 74 |
MOL_02_023375 |
Cc1ccc2ncnc(N3CCCC4(CCNC4)C3)c2n1 |
| 75 |
MOL_01_029898 |
Nc1c(Cl)cccc1NC(=O)C(NC(=O)c1ccccc1Cl)C(N)N |
| 76 |
MOL_02_026593 |
NC(N)C1CCN(c2cccc3nccn23)CC1 |
| 77 |
MOL_02_009056 |
Cc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cc1C |
| 78 |
MOL_02_009416 |
NCc1cc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)ccc1Cl |
| 79 |
MOL_02_009184 |
NCc1cccc(NC(O)Cc2nc(O)cc(N3CCOCC3)n2)c1O |
| 80 |
MOL_02_025751 |
Cc1ccc(C(CN2CCC(N(C)C)CC2)C(O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)cc1Cl |
| 81 |
MOL_02_008884 |
Nc1ncnc2c1ncn2C1OC(CC(N)CC2CCCCC2)C(O)C1O |
| 82 |
MOL_02_009173 |
Cc1ccc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cc1CN |
| 83 |
MOL_01_000904 |
CCc1ccc(NC)c(CNC(O)C(NC)n2cc(F)c3nc4ccccc4c-3c2O)c1 |
| 84 |
MOL_01_032245 |
NCc1ccc(NC(N)CNC(N)Cc2cccc3ccccc23)c(CN)c1 |
| 85 |
MOL_01_028752 |
NCc1cc(CN2CCCC(C(N)Nc3ccccc3Cc3cccnc3)C2)ccc1F |
| 86 |
MOL_02_009560 |
Oc1cc(N2CCOCC2)nc(CC(O)Nc2cccc(Cl)c2O)n1 |
| 87 |
MOL_02_009644 |
Cc1cc(C(NC(O)c2ccc3cnccc3c2)C2CCNCC2)cnc1C |
| 88 |
MOL_02_027809 |
CNCCn1cc(-c2ccc(Cl)c(C)c2)nc1C1CCN(c2ncnc(N)c2N)CC1 |
| 89 |
MOL_02_033147 |
Oc1cc(N2CCOCC2)nc(CC(O)Nc2ccccc2O)n1 |
| 90 |
MOL_02_017998 |
Cc1cc(-c2cn(CC3CN(C)C3)c(C3CCN(c4ncnc(N)c4C)CC3)n2)ccc1Cl |
| 91 |
MOL_02_045608 |
CCCNC(CCC(N)C(O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
| 92 |
MOL_01_029228 |
CC(CN)(COc1ccc(CN)cc1C(F)(F)F)NC(N)c1ccc(C(F)(F)F)cc1 |
| 93 |
MOL_01_026927 |
CCCc1ccc(C(N)Nc2ccc(OC)nc2C(N)NCC2CCOCC2)c2ccccc12 |
| 94 |
MOL_01_007514 |
NC(Cc1cc(F)c(F)cc1F)CC(N)N1CCn2cnc(-c3ccccn3)c2C1 |
| 95 |
MOL_02_045684 |
Nc1ncnc2c1ncn2C1OC(CCCCc2ccccn2)C(O)C1O |
| 96 |
MOL_01_029476 |
Cn1cc(NNNC(N)CCc2ccc(F)cc2)c2ccccc21 |
| 97 |
MOL_01_014798 |
NCc1c(Cl)cc(Cl)cc1C(N)Nc1cccc2cccnc12 |
| 98 |
MOL_02_009330 |
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CCN(C)C)CC1 |
| 99 |
MOL_02_002683 |
CN(CCCNC(O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2ccc3c(N)ncnc32)C(O)C1O |
| 100 |
MOL_01_029023 |
C=C(CC(N)C(=C)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(CN)c(CN)cc1CN |
Datasets
Models
