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
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.896458
O=S(=O)(c1ccc(N2CCCCC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.750309
O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.890605
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.903664
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.774936
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.774319
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(CCc1ccccc1F)Cc1c[nH]cn1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.774314
O=S(=O)(c1ccc(COc2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.763819
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.771208
CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)c1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.800254
O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1
No
0.835425
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.918848
Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1
No
0.803789
O=S(=O)(c1ccc(CN2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1
No
0.757233
O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1
No
0.798649
Cc1ccc(N2CCN(c3ccc(S(=O)(=O)N(Cc4c[nH]cn4)CC4CCCCC4)cc3)CC2)cc1
O=S(=O)(c1ccc(N2CCN(c3ccccn3)CC2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1
No
0.911565
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.85906
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
No
0.969811
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.97905
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
No
0.787546
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
No
0.87005
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.895095
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.909209
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.859331
CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
COc1ccc(-c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)cc1
No
0.880597
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.876712
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
No
0.806569
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
No
0.94069
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
No
0.878187
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.802267
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
No
0.890909
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
No
0.825654
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
No
0.823308
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
No
0.912827
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
No
0.81519
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
No
0.836707
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
No
0.818421
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
No
0.881761
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.875513
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
No
0.821648
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.887668
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.81715
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.909661
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.890812
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.811111
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.836627
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
No
0.823298
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.842457
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.847503
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.891931
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.874826
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1
No
0.825916
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.821832
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.821696
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.841746
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.864789
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
No
0.832041
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
No
0.83125
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.896189
O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1
COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
No
0.863636
C[C@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O
COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
No
0.806957
C[C@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1
No
0.776119
Cc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
No
0.878143
C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O
COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
No
0.806957
O=C(c1ccccc1)N1CCN2C(=O)CC[C@@H]2C1
COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
No
0.902584
O=C(c1ccc(F)cc1)N1CCN2C(=O)CC[C@@H]2C1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1
No
0.805996
O=C(c1ccc(Cl)cc1)N1CCN2C(=O)CC[C@@H]2C1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1
No
0.824057
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
No
0.926489
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN12
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1
No
0.565986
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
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(c3ccccc3)C2=O)c1
No
0.917062
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
No
0.956573
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
No
0.83531
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
No
0.823147
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
No
0.842365
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21
No
0.917676
O=C(Nc1ccccc1)NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1
No
0.906178
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21
CN(C)c1cccc(NC(=O)NC2C(=O)N(c3ccccc3)c3ccccc3N(C3CC4CCC3C4)C2=O)c1
No
0.902381
CC(C)CCN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
No
0.901308
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
No
0.894598
O=C(c1ccccc1)N1CCN2C(=O)CC[C@@H]2C1
O=C(c1ccc(F)cc1)N1CCN2C(=O)CC[C@@H]2C1
No
0.928425
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
No
0.837803
COc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1
No
0.536517
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(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.898045
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.882195
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.806775
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.896684
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1
O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
No
0.891147
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F
O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
No
0.918987
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(c3ccccc3)C2=O)c1
No
0.898007
COc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1
Cc1ccc(N2CCN(CC3CC3c3ccccc3)CC2)c(C)c1
No
0.759924
O=C(c1ccc(F)cc1)N1CCN2C(=O)CC[C@@H]2C1
O=C1CC[C@@H]2CN(Cc3ccc(F)cc3)CCN12
No
0.871166
C[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C1=O
C[C@H]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C1=O
No
1
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
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
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
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
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12
O=C1CC[C@@H]2CN(Cc3ccc(F)cc3)CCN12
No
0.524242