Datasets:
jarod0411
/
llm_sim_new

Dataset card Viewer Files Community
1
p1
stringlengths
12
119
p2
stringlengths
12
119
Scaffold
stringlengths
2
69
similarity
float64
0.5
1
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccc(F)cc1
Cc1ccc(C(OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1
No
0.953566
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccc(C(C)(C)C)cc1
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1
No
0.934959
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccc(-c2ccccc2)cc1
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1
No
0.927419
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccc(F)cc1
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1
No
0.971284
c1ccc(C(OCCn2ccnc2)c2ccccc2)cc1
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1
No
0.528696
Cc1ccc(C(OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1
No
0.981229
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.85623
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.806416
O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.756483
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.926941
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.794279
CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.923864
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.909605
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.947856
CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.959631
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.916573
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.876344
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.871152
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.931193
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.830907
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.957597
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.926387
COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1
No
0.561497
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.819322
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.914773
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.849687
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.88
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.885033
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.933486
O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.873662
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.894845
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.761134
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.723711
O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.797009
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.902844
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.797009
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.873662
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.782427
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.81128
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.851259
COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.778468
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.700565
O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
No
1
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
No
0.826303
O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
No
0.826303
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
No
0.90172
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
No
1
O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
No
0.826303
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.814255
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.771134
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.735967
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.891667
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.752515
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.817635
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
No
0.719844
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
No
0.802966
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
No
0.924242
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.713462
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.780083
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.839836
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.744467
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.927107
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.828947
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.87931
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.815618
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.870763
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.778013
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.87037
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.850312
O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.839836
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.746
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.733068
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.805068
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.829615
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.867804
O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.891667
COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2
No
0.812133
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2
No
0.858038
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
N#Cc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1
No
0.802151
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.929864
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.931559
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.93068
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.921466
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.793443
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.941615
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1
No
0.863535
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.871614
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.779134
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.787047
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.86933
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.944316
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.794403
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.960836
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.801948
CC1CN(Cc2c[nH]cn2)c2ccccc2CN1C(=O)c1cccc2ccccc12
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.769744
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.92029
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.80683
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.78626
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.788108
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1
No
0.884746