p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.828025 |
COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.723519 |
COc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.759924 |
Oc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.706503 |
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.787575 |
COc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.774951 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.699473 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccncc3)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.752515 |
COc1c(Cl)cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.680135 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.751923 |
Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.864341 |
Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.762868 |
COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.666667 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3Cl)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.725953 |
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.732839 |
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.900474 |
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | No | 0.974293 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.867347 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.86514 |
C[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O | C[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C1=O | No | 0.569801 |
O=C(c1ccccc1)N1CCN2C(=O)CC[C@@H]2C1 | O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1 | No | 0.943867 |
C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O | C[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C1=O | No | 0.942164 |
O=C(c1ccccc1)N1CCN2C(=O)CC[C@@H]2C1 | C[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C1=O | No | 0.89901 |
C[C@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O | O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1 | No | 0.812834 |
Cc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1 | No | 0.917172 |
C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O | O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1 | No | 0.812834 |
Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 1 |
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN12 | O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1 | No | 0.519369 |
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN12 | C[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O | No | 0.922948 |
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN12 | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.859784 |
Cc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.893548 |
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN12 | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.932318 |
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN12 | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.894652 |
C[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1=O | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.843703 |
C[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1=O | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.843703 |
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)C(C(C)C)C(C)C)cc2)cc1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1 | No | 0.888252 |
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1 | No | 0.912791 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1 | No | 0.934328 |
COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.721223 |
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12 | COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 | No | 0.894822 |
COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.677686 |
Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.876712 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccc(Cl)cc3)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.75717 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.913306 |
Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.75 |
COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.731618 |
COc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.762548 |
Oc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.906 |
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.891775 |
COc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.79596 |
Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 1 |
Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.75 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 | No | 0.726103 |
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.834003 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3Cl)CC2)cc1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.888446 |
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.793057 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.8 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.810775 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.952174 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.807181 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.784876 |
O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.827985 |
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.714653 |
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.93185 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.768229 |
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 | O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.727617 |
O=S(=O)(c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1 | No | 0.940762 |
CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1 | No | 0.873297 |
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.907787 |
COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.778947 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3cccnc3)CC2)cc1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.728653 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.940171 |
COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.712585 |
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1 | COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1 | No | 0.815681 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3cccnc3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.736434 |
Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.728938 |
COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.692833 |
COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.727903 |
Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.795802 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccc(Cl)cc3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.850103 |
COc1c(Cl)cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.753131 |
COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.734375 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccncc3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.755144 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccn3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.666055 |
Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.850505 |
Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.75 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3Cl)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.94375 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ncccn3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.628037 |
COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1 | No | 0.723519 |
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.87605 |
c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 | Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | No | 0.860927 |
COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.718166 |
Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.726103 |
Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.77037 |
Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccc(Cl)cc3)CC2)cc1 | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.92437 |
COc1c(Cl)cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl | Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 | No | 0.799277 |
CSc1cccc(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(c3ccccc3F)C2=O)c1 | No | 0.960141 |
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)C(C(C)C)C(C)C)cc2)cc1 | CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 | No | 0.827586 |
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1 | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | No | 0.903189 |
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O | CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1 | No | 0.96327 |
Subsets and Splits