p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.945006 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1
|
No
| 0.962871 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.939866 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.847991 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.869312 |
C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.847072 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.851934 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.945173 |
COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.946492 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.860571 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.945173 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.943694 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.955916 |
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.974886 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.950339 |
O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.934685 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12
|
Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1
|
No
| 0.856816 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.898138 |
COc1cc(Cn2c(-c3ccc(OCCn4cccn4)cc3)nc3ccccc32)ccc1CN1CCCC1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(CO)ccc32)ccc1CN1CCCC1
|
No
| 0.917647 |
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(CN)ccc32)ccc1CN1CCCC1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(CO)ccc32)ccc1CN1CCCC1
|
No
| 0.971188 |
COc1cc(Cn2c(-c3ccc(OCCCC(=O)O)cc3)cc3ccccc32)ccc1CN1CCCC1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(CN)ccc32)ccc1CN1CCCC1
|
No
| 0.79435 |
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnn1
|
COc1cc(Cn2c(-c3ccc(OCCn4cccn4)cc3)nc3ccccc32)ccc1CN1CCCC1
|
No
| 0.856979 |
COc1ccc(CNc2nnc(N3CCC(OC)CC3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.870219 |
COc1ccc(CNc2nnc(N3CCNCC3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.973451 |
COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C(N)=O)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.84253 |
COc1ccc(CNc2nnc(N3CCC(O)CC3)c3cc(Cl)c(Cl)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.800525 |
COc1ccc(CNc2nnc(N3CCN(c4ccccn4)CC3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.912983 |
COc1ccc(CNc2nnc(N[C@H]3CC[C@H](O)CC3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.833103 |
COc1ccc(CNc2nnc(N3CCSCC3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.884669 |
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1
|
Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1
|
No
| 0.898483 |
COc1ccc(CNc2nnc(NCc3cccnc3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.827881 |
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnc1
|
COc1cc(Cn2c(-c3ccc(OCCn4cccn4)cc3)nc3ccccc32)ccc1CN1CCCC1
|
No
| 0.862837 |
COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C(=O)N(C)C)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.823067 |
COc1cc(Cn2c(-c3ccc(OCCCC(=O)O)cc3)cc3ccccc32)ccc1CN1CCCC1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnc1
|
No
| 0.749719 |
COc1cc(Cn2c(-c3ccc(OCCCC(=O)O)cc3)cc3ccccc32)ccc1CN1CCCC1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnn1
|
No
| 0.748628 |
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnc1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnn1
|
No
| 0.949029 |
COc1cc(Cn2c(-c3ccc(OCCCC(=O)O)cc3)cc3ccccc32)ccc1CN1CCCC1
|
COc1cc(Cc2c(-c3ccc(OCCCC(=O)O)cc3)sc3ccccc23)ccc1CN1CCCC1
|
No
| 0.692896 |
COc1cc(Cn2c(-c3ccc(OCCCC(=O)O)cc3)cc3ccccc32)ccc1CN1CCCC1
|
COc1cc(Cn2c(-c3ccc(OCCn4cccn4)cc3)nc3ccccc32)ccc1CN1CCCC1
|
No
| 0.782805 |
COc1ccc(C(=O)Nc2c(OC)ccc(OC)c2NC(=O)c2ccc(OC)cc2)cc1
|
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(SC)cc2)cc1
|
No
| 0.657986 |
COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
|
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(SC)cc2)cc1
|
No
| 0.63621 |
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1
|
Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
|
No
| 0.839898 |
COc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
|
Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1
|
No
| 0.947816 |
COc1ccc(CNc2nnc(N3CCN(c4ncccn4)CC3)c3ccc(C#N)cc23)cc1Cl
|
COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(C#N)cc23)cc1Cl
|
No
| 0.912983 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.908152 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.836303 |
O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12
|
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.95805 |
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)CCCCN)c1
|
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)c2ccc(CN)cc2)c1
|
No
| 0.803328 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.939462 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.946128 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.918297 |
COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.938479 |
NCCCC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1C(=O)NCCc1ccccc1
|
NCCCC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1C(=O)NC(Cc1ccccc1)c1ccccc1
|
No
| 0.910526 |
NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1
|
N=C(N)NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1
|
No
| 0.861751 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.941874 |
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.939787 |
Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
|
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1
|
No
| 0.87123 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.843116 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.963345 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.921387 |
C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.844184 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.850925 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.924506 |
COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.921387 |
O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.955275 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.943439 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.956372 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.945701 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.937079 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.926744 |
COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.942503 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.855188 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.841994 |
COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.913043 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.916092 |
O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.93424 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.920838 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12
|
No
| 0.959951 |
CCCCC1(CCCC)Oc2cccc(N(CCCN)C(=O)c3ccc(CN)cc3)c2O1
|
CCCCC1(CCCC)Oc2cccc(NC(=O)c3ccc(CN)cc3)c2O1
|
No
| 0.8519 |
N=C(N)NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1
|
N=C(N)NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1
|
No
| 0.960061 |
NCCCC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1C(=O)NCCc1ccccc1
|
NCc1ccc(CNC(=O)[C@@H](CN)n2cccc2CNC(=O)C(c2ccccc2)C2CCCCC2)cc1
|
No
| 0.745318 |
NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1
|
NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1
|
No
| 0.947189 |
N=C(N)NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1
|
NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1
|
No
| 0.8896 |
N=C(N)NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1
|
NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1
|
No
| 0.854071 |
NCCCN1C(=O)C(CCN)N=C(c2ccccc2)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc21
|
NCCCN1C(=O)C(CN)N=C(c2ccccc2)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc21
|
No
| 0.953202 |
NCc1ccc(CNC(=O)[C@@H](CN)n2cccc2CNC(=O)C(c2ccccc2)C2CCCCC2)cc1
|
NCc1ccc(CNC(=O)[C@@H](CN)n2cccc2CNC(=O)CC2CCCCC2)cc1
|
No
| 0.831445 |
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)c2ccc(CN)cc2)c1
|
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)c2ccc(CN=C(N)N)cc2)c1
|
No
| 0.971787 |
CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1
|
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
|
No
| 0.883333 |
COc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)c2ccc(OC)cc2)cc1
|
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
|
No
| 0.81978 |
O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.946833 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.899558 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12
|
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1
|
No
| 0.905192 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1
|
No
| 0.965812 |
NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1
|
N=C(N)NC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc2ccccc2c1
|
No
| 0.90169 |
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)CCCCN)c1
|
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)c2ccc(CN=C(N)N)cc2)c1
|
No
| 0.787297 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.913043 |
O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.96449 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.849718 |
C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.843054 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21
|
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12
|
No
| 0.847732 |
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(O)ccc32)ccc1Cn1ccnn1
|
COc1cc(Cn2c(-c3ccc(OCCN4CCCC4)cc3)nc3cc(CO)ccc32)ccc1CN1CCCC1
|
No
| 0.867347 |
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