p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | No | 0.927069 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.767532 |
CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | No | 0.92577 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | No | 0.928371 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | No | 0.834014 |
COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.570918 |
CCCOc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.831522 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C)c2)CC1 | COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.783311 |
Cc1ccc(O)c(C(=O)NCCCN2CCC[C@@H]3CCCC[C@H]32)c1 | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.807547 |
Cc1ccc(O)c(C(=O)NCCCN2[C@@H](C)CC[C@@H]3CCCC[C@H]32)c1 | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.802607 |
C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)c(C)c1 | CCC/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1 | No | 0.738562 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.761966 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.762148 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.77661 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.784946 |
COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.875892 |
Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.748 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.784946 |
O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.752355 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C#N)c2)CC1 | COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | No | 0.594037 |
COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.782726 |
O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | O=C(Oc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2ccccc2)CC1)c1ccccc1 | No | 0.733675 |
COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=c1ccc2ccc(O)cc2n1CCCN1CCN(c2ccc(F)cc2)CC1 | No | 0.851744 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C)c2)CC1 | CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.910591 |
CC1CC[C@@H]2CCCC[C@@H]2N1CCCNC(=O)c1cc(Cl)ccc1O | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.985714 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 0.927069 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.89078 |
O=S(=O)(c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.931564 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | No | 0.80429 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | No | 0.836265 |
CCC(CC)Nc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C(C)C)C(C)C)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | No | 0.860832 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)C(C(C)C)C(C)C)cc2)cc1 | No | 0.798942 |
CCC(CC)Nc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C(C)C)C(C)C)cc1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)C(C(C)C)C(C)C)cc2)cc1 | No | 0.842399 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)C(C(C)C)C(C)C)cc2)cc1 | No | 0.96391 |
O=S(=O)(c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.765544 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.824 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.811749 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.841226 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.960641 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.819559 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.909597 |
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.788 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.76601 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.787688 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.83485 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.769133 |
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.76537 |
O=c1[nH]/c(=C\c2ccc(Cl)cc2)c(=O)[nH]/c1=C\c1ccccc1 | COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3[N+](=O)[O-])[nH]c2=O)cc1 | No | 0.619529 |
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(Cl)cc3)[nH]c2=O)cc1 | COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3[N+](=O)[O-])[nH]c2=O)cc1 | No | 0.705387 |
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3c[nH]c4ccccc34)[nH]c2=O)cc1OC | COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3[N+](=O)[O-])[nH]c2=O)cc1 | No | 0.615283 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.820106 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.816921 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.816092 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2c[nH]cn2)cc1 | No | 0.751989 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.881844 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1 | No | 0.844875 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1 | No | 0.888889 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.927007 |
CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.915535 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.750653 |
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.836565 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.770449 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.881331 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 | No | 0.813673 |
CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.878158 |
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)C(C(C)C)C(C)C)cc2)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.941263 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.975647 |
CCC(CC)Nc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C(C)C)C(C)C)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.846695 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.81965 |
CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2c[nH]cn2)cc1 | CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.744413 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.944012 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.791086 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | CCCCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2c[nH]cn2)cc1 | No | 0.72252 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | No | 0.815217 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.926254 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.804613 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.803763 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | No | 0.87656 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 | No | 0.816167 |
COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.548043 |
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.811518 |
CCCOc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.907143 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.915512 |
Cc1ccc(O)c(C(=O)NCCCN2CC(C)C[C@@H]3CCCC[C@@H]32)c1 | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.795539 |
Cc1ccc(O)c(C(=O)NCCCN2[C@H]3CCCC[C@H]3CC[C@H]2C)c1 | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.802607 |
O=C(NCCCN1CCC[C@@H]2CCCC[C@H]21)c1cc(Cl)ccc1O | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 1 |
Cc1ccc(O)c(C(=O)NCCCN2[C@@H](C)CC[C@@H]3CCCC[C@@H]32)c1 | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.802607 |
Cc1ccc(O)c(C(=O)NCCCCN2C(C)CC[C@@H]3CCCC[C@@H]32)c1 | O=C(NCCCN1CCC[C@@H]2CCCC[C@@H]21)c1cc(Cl)ccc1O | No | 0.752747 |
Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.818182 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.844538 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.74031 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.812245 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.924309 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.763587 |
C[C@H]1CCC[C@@H](C)N1CCCNC(=O)c1cc(Cl)ccc1O | Cc1ccc(O)c(C(=O)NCCCN2CCC(C)[C@@H]3CCCC[C@@H]32)c1 | No | 0.666667 |
COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.833096 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.763587 |
CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.792602 |
COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.58184 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.896747 |