p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | No | 0.871854 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | No | 0.877598 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | No | 0.908981 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | CCCCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.896429 |
COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.666667 |
Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.864341 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.751923 |
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.969011 |
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | No | 0.898325 |
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | No | 0.788274 |
Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.701389 |
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.763566 |
COc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.853707 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.698276 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.797546 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccncc3)CC2)cc1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.722868 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.746241 |
COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.907236 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ncccn3)CC2)cc1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.610507 |
COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.898897 |
Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.708042 |
COc1c(Cl)cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.74271 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3cccnc3)CC2)cc1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.703839 |
COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.895604 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccn3)CC2)cc1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.636049 |
COc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.83559 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3Cl)CC2)cc1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.725953 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.936221 |
COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.677686 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.699473 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.828025 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccncc3)CC2)cc1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.752515 |
CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | No | 0.909756 |
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.796675 |
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | CCCCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.911622 |
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.983139 |
O=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1 | CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | No | 0.754717 |
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.917676 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.906178 |
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.954279 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.71553 |
CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.746269 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.930205 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.94941 |
O=C(C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.761644 |
CC(CN1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)C | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OC(C)CN1CCCCC1 | No | 0.879562 |
CC(CN1CCCCC1)OC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)C | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OC(C)CN1CCCCC1 | No | 0.926966 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | No | 0.94247 |
CC(CN1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OC(C)CN1CCCCC1 | No | 0.698171 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.905063 |
O=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.77924 |
O=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.787297 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.719884 |
O=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1 | O=C(C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | No | 0.773585 |
O=C(C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | O=C(C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | No | 0.956772 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1 | O=C(C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | No | 0.78086 |
CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | O=C(C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | No | 0.762431 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.892916 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.993983 |
CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CC(C)CCN1C(=O)C(NC(=O)Nc2cccc(N(C)C)c2)C(=O)N(c2ccccc2F)c2ccccc21 | No | 0.910287 |
O=C(C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.794944 |
CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | No | 0.883683 |
CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | No | 0.940978 |
CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | No | 0.922951 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.938095 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.915577 |
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.896471 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.904875 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.958281 |
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.910059 |
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.961929 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.945342 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.947891 |
CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CC(C)CC(C)N1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.94875 |
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.899061 |
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.957071 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.884527 |
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.941736 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.902696 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1OCCN(C)C | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | No | 0.821216 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | No | 0.945069 |
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | No | 0.837769 |
O=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1 | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | No | 0.745042 |
O=C(C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.787204 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.956381 |
CC(C)CC(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.943457 |
CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.748892 |
O=C(C(=O)N1CCC[C@H]1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 | CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCS(=O)(=O)c1ccccc1 | No | 0.757534 |
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 | No | 0.97138 |
CC(C)C(C)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.94403 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | COc1cccc2c1CCC(=O)N2CCCN1CCN(c2ccccc2Cl)CC1 | No | 0.946991 |
O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.942726 |
O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.953196 |
O=C1Nc2c(Cl)cc(Cl)cc2N2CCNCC12 | O=C1Nc2cc(Cl)ccc2N2CCNCC12 | No | 0.902174 |
CCCCN(CCCC)c1ccc2c(c1)NC(=O)C1CNCCN21 | O=C1Nc2cc(Cl)ccc2N2CCNCC12 | No | 0.839117 |
O=C1Nc2ccc(Cl)cc2N2CCNCC12 | O=C1Nc2cc(Cl)ccc2N2CCNCC12 | No | 0.974705 |
O=C1Nc2ccccc2N2CCNC[C@H]12 | O=C1Nc2ccc(Cl)cc2N2CCNC[C@H]12 | No | 0.90223 |
O=C1Nc2ccccc2N2CCNCC12 | O=C1Nc2cc(Cl)ccc2N2CCNCC12 | No | 0.894558 |
Clc1cc2c(cc1Cl)N1CCNCC1CN2 | Clc1cc2c(cc1Cl)N1CCNC[C@@H]1CN2 | No | 1 |
c1ccc2c(c1)NCC1CNCCN21 | Clc1cc2c(cc1Cl)N1CCNC[C@@H]1CN2 | No | 0.811715 |