p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.789171 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.850822 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.878141 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.833333 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | No | 0.888355 |
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | No | 0.849879 |
c1ccc2c(C3CCNCC3)c[nH]c2c1 | NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1 | No | 0.804388 |
Fc1cccc2[nH]cc(C3CCNCC3)c12 | NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1 | No | 0.707883 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | No | 0.818849 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.896468 |
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.858385 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1OCCN(C)C | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.812808 |
CN1CCC2(CC1)COc1ccc(NC(=O)NCCN3CCC(c4c[nH]c5cc(F)ccc45)CC3)cc12 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.790378 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1OCCN(C)C | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.833333 |
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.780595 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.963964 |
CN1CCC2(CC1)COc1ccc(NC(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.797497 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | No | 0.787469 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.939355 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | No | 0.907967 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.916667 |
N#Cc1ccc2[nH]cc(C3CCNCC3)c2c1 | NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1 | No | 0.842657 |
Fc1ccc2[nH]cc(C3CCNCC3)c2c1 | NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1 | No | 0.746667 |
Fc1ccc2[nH]cc(C3CCNC3)c2c1 | NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1 | No | 0.678407 |
CN1CCC2(CC1)COc1ccc(NC(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.78211 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.905806 |
Fc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1 | NCCc1c[nH]c2ccc(F)cc12 | No | 0.783058 |
CN1CCC2(CC1)COc1ccc(NC(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.779528 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.931732 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.818182 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.963303 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.846824 |
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.879739 |
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.743561 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.865311 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.825822 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.840764 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.938931 |
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.771084 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.787208 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.789474 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.909202 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.948232 |
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.835784 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1OCCN(C)C | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.796163 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.795792 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | No | 0.949812 |
CCCCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21 | O=C(Nc1ccccc1)NC1C(=O)N(CCc2ccccc2)c2ccccc2N(c2ccccc2)C1=O | No | 0.922981 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.777644 |
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.90172 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | No | 0.782452 |
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.933486 |
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.890591 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.977621 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.79034 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.907572 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.882873 |
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.892936 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.779587 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.778634 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.806167 |
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.896627 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.881828 |
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.806941 |
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.887931 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.801105 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.827549 |
CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.876638 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.967742 |
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.956221 |
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.93424 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.932802 |
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.806904 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.878556 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1 | No | 0.787118 |
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1 | No | 0.886339 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1 | No | 0.914158 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1 | CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.821858 |
CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1 | No | 0.900329 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.802186 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.781622 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | No | 0.777056 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | No | 0.802162 |
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.977621 |
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.930524 |
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.941312 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.806054 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.783146 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.789123 |
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.86413 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.920045 |
COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | No | 0.852697 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | No | 0.774863 |
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2 | N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | No | 0.820926 |
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.884106 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.932725 |
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.791351 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.897025 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.904545 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | No | 0.809001 |