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Datasets:
jarod0411
/
llm_sim_new

Modalities:
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Formats:
parquet
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p1
stringlengths
12
119
p2
stringlengths
12
119
Scaffold
stringlengths
2
69
similarity
float64
0.5
1
C=C(C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
C=CCN1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
No
0.837626
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.977621
CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.819172
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.808442
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.80916
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.810127
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.804798
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.96624
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.941312
CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.804772
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.806054
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.783146
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.78626
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.789123
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.944316
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.827283
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.880282
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.879121
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.881235
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.932955
CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.905765
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.974742
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.986047
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.857895
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
No
0.86413
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.812227
CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.987239
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.812632
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.88204
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.785792
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.869752
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.940023
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.992958
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.788793
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.853795
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.86455
CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.86149
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.794565
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.78692
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.875978
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1
No
0.930917
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1
No
0.9748
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.863302
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.856691
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.875
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.772824
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.831579
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.797455
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.93959
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.85623
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.857445
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
No
0.811579
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]1Cc1ccncc1
No
0.903867
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.89781
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.775599
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.928224
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.807445
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.82936
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.805825
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.883784
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.820896
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
No
0.859813
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.869014
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.896936
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.871182
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
No
0.933599
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
No
0.92247
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.825537
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
No
0.925099
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.884078
O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.939394
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.797561
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.830769
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.838046
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.85266
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.835341
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.815104
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.816352
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.882674
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.941176
O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.91791
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.846351
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1
No
0.891929
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.883788
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.815054
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.806416
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.806134
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.897527
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
No
0.771429
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccc2ccccc2c1
No
0.983627
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccc2ccccc2c1
No
0.929009
CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1
No
0.975834
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1
No
0.932361
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
No
0.876866
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
No
0.898977
O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1
No
0.877358
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1
No
0.838292
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1
No
0.977454
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1
No
0.94401
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Number of rows:
9,819,434