p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1C | O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1cc[nH]n1)CC2 | 0.525832 |
O=C(Cc1cccs1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 | C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(CC=C)C2=O)cc1OC | 0.550802 |
Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)C(=O)NC(C)C | Cn1c(C(=O)NCc2nnc3n2CCC3)cc(Cl)c1Cl | 0.53208 |
COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(C)n1 | O=C(Nc1cccc(-c2nnc3n2CCC3)c1)NC1CC(c2ccc(F)c(Cl)c2)C1 | 0.534783 |
O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 | O=C1NCCN1c1nc(CC(=O)N2CCC[C@H]2c2nnc3ccccn23)cs1 | 0.703252 |
COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)c1ccccc1 | CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O | 0.503859 |
O=C(c1cc(-c2ccccc2)co1)N1CCNC[C@@H]1c1ccccc1 | COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCc1ccc2c(c1)OCCO2 | 0.582803 |
N#Cc1ccc(-c2n[nH]c3c2CN(C(=O)[C@H]2CCCN(c4ccccn4)C2)CC3)cc1 | COc1ccc([C@H](NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2nccn2C)cc1 | 0.696162 |
O=C(NC1CC1)[C@H]1[C@H]2C=C[C@@]3(O2)[C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)[C@@H]13 | CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 | 0.733936 |
C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)N1CCNC1=O | COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@@H]2CCCN(C)C2)O3)c1 | 0.614973 |
COc1ccc(CNc2nc(C3CCN(C(C)=O)CC3)nc3c2CN(C)CC3)cc1 | COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CCO)c(F)c1 | 0.602754 |
COC(=O)[C@H]1CN(Cc2nc3ccccc3s2)C[C@@H](C)O1 | Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c[nH]1 | 0.508418 |
COC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 | O=c1c(CN2CCSCC2)coc(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 | 0.54415 |
O=C(Nc1cc(F)ccc1F)[C@@H]1Cc2ccccc2O1 | CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4C)c(N)c3cc2C1 | 0.552795 |
COC(=O)c1sc2ccc(F)cc2c1N | COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])ccc1O | 0.560327 |
Cc1nc(NCCc2nc(C)c3c(n2)CCC3)cc([C@@H]2CCOC2)n1 | CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccccc1Cl)CC2 | 0.61024 |
COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC | Cc1nc(CC2CC2)sc1C(=O)NC[C@H](C)CN | 0.516385 |
COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)COC | Cc1nc(-c2cccc(N[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cs1 | 0.633401 |
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H](CO)Cc1cccnc1 | CCC1(CC)C[C@H](NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 | 0.505985 |
C=CCc1cc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)ccc1OC(C)C | CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 | 0.641962 |
CN1CCN(C(=O)CSc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1 | O=C1Nc2ccc(Cl)cc2[C@]1(O)Cc1n[nH]c(=O)c2ccccc12 | 0.650206 |
COc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl | COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 | 0.520225 |
CC(C)c1ccc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 | CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2c(C)nn(C)c2c1=O | 0.791252 |
CC[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1N(C)C | CCn1nc(C)c([C@@H](C)NC(=O)c2cc(F)ccc2OC)c1C | 0.505482 |
COc1cccc([C@H](C)N(C)C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)c1 | C[C@H](NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc2ccccc2c1 | 0.506104 |
CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1nc3ccccc3nc1C)CC2 | Cc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)s1 | 0.501157 |
Cn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCCC3)c1=O | COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1 | 0.588912 |
O=C(c1cn(-c2ccccc2)nn1)N1CCCC[C@H]1CCn1cccn1 | CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 | 0.569659 |
O=C(Cn1cc(C(F)(F)F)ccc1=O)c1ccc(N2CCCC2=O)cc1 | Cn1nc(CN2C[C@@H]3COCC[C@]3(CO)C2)c2c(Cl)cccc21 | 0.514161 |
O=C(O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3O[C@H]2C(Br)=C3Br)cc1 | CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cc(Cl)ccc3OC)nc1=O)CCC2 | 0.692777 |
COC(=O)/C=C/CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F | CC1=NN(c2ccc(C(=O)N[C@H]3CCCO[C@@H]3c3nccn3C)cc2)CC1 | 0.534934 |
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2Br)cc1 | COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2cccs2)c1 | 0.637205 |
Cc1cn(C)nc1C(=O)Nc1nc2ccc(Cl)cc2s1 | Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(C(F)(F)F)c3)co2)n1 | 0.526432 |
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2nc(C)cc(C)n2)nc1C | Cn1c(=O)[nH]c(=O)c2c1nc(SCCC(=O)O)n2Cc1ccccc1Cl | 0.738739 |
Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 | O=C(Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1)c1ccco1 | 0.563656 |
CC[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(C)=O | C=CCn1c(SC)nc2c(c1=O)CCCC2 | 0.676319 |
CCc1ncnc(O[C@@H]2CCN(C(=O)NC(C)C)C2)c1F | CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 | 0.520652 |
O=C1C[C@@H](C(=O)N2C[C@@H](CNC(=O)c3nnn4ccccc34)C3(CCOCC3)C2)NC(=O)N1 | NC(=O)Cn1cc(CN2CCC[C@@H]2c2cccc(Cl)c2)nn1 | 0.562568 |
COC(=O)c1ccc2[nH]c3c(c2c1)CN([C@@H]1C[C@H](C)OC1=O)CC3 | CC[C@@H]1c2cccn2CCN1Cc1c[nH]nc1-c1ccc(O)cc1 | 0.642857 |
COc1cc(OC)c(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)c(OC)c1 | C[C@H](NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1)c1ccccc1 | 0.51824 |
Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 | Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2cnn(-c3ccccc3F)c2n1 | 0.532189 |
Cc1noc(C)c1CC(=O)N1CC[C@]2(CCCO2)C(=O)C1 | O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1nnc(C2CC2)s1 | 0.513484 |
CCc1c(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)cnn1CC(C)C | Cc1noc([C@H]2CCCN(C(=O)c3cc(F)c(F)cc3Cl)C2)n1 | 0.600858 |
CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 | Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1C | 0.5 |
CCOc1ccccc1OCc1nn2c(-c3ccco3)nnc2s1 | COc1ccccc1-n1ncc(C(=O)N2CC(C)(CO)C2)c1C | 0.571579 |
Cc1nc(-c2cc(C(=O)N3CC[C@@H](N(C)Cc4ccccc4)C3)n(C)c2)cs1 | COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc(Br)c1O | 0.731463 |
CCOc1ccccc1CCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O | CCOC(=O)C1=C(C)Oc2ncn3nc(CCn4cc([N+](=O)[O-])cn4)nc3c2[C@@H]1c1ccccc1 | 0.624376 |
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 | Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)c12 | 0.74975 |
C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(F)c(F)c4)c(=O)n1c23 | COCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 | 0.634872 |
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O | Fc1cc(CN2CCC[C@H](c3nncn3C3CC3)C2)c2ncccc2c1 | 0.586359 |
C[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc2c(c1)CCC(=O)N2 | CCc1nc(CNC(=O)COc2cccc3c2NC(=O)CC3)cs1 | 0.576784 |
CNC(=O)[C@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccccc1 | CCCn1c(=O)n(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)c2ccccc21 | 0.566098 |
Cc1nnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1 | O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 0.606522 |
CN(C)CC(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 | COc1ccc(S(=O)(=O)N(C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1 | 0.60511 |
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@](C(=O)O)(C(=O)NC)[C@H]2C1 | Cc1ccccc1OCCn1cc(C(=S)N2CCOCC2)c2cc(Br)ccc21 | 0.655838 |
CC/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C | COC(=O)CCCC(=O)NCc1nc(NCc2ccc(F)cc2)c2ccc(Cl)cc2n1 | 0.634398 |
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C)[nH]c2ccccc12 | Clc1ccccc1CN1CCC(c2noc(-c3ccccn3)n2)CC1 | 0.533755 |
Cc1nc(C)n(CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccccc2)n1 | CCOc1cccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)c1 | 0.519144 |
Cc1cccc2nc(=S)n(C(=O)c3ccc(F)cc3)n12 | CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 | 0.557465 |
Cc1cc(OCC(=O)NCCc2c[nH]c3ccc(F)cc23)c2c3c(c(=O)oc2c1)CCCC3 | COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 | 0.528139 |
O=c1[nH]c2ccc(S(=O)(=O)NCc3cccc4ccccc34)cc2o1 | CCOC(=O)[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)C1(OCC)CCCC1 | 0.564182 |
CC/C=C(\C)[C@@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1 | CC(=O)Nc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 | 0.580064 |
CC1(C)C(O)=Nc2ccc(/C(O)=N/Cc3ccc4c(c3)COC4)cc21 | C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1 | 0.56 |
NC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 | CN(C(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 | 0.576063 |
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(C)cc42)N2CCC[C@@H]32)sc(C)c1C | Cc1cc(CNC(=O)N(C)Cc2c(F)cccc2Cl)no1 | 0.504892 |
COc1ccc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c(OC)c1 | CCOC(=O)c1sc(NC(=O)c2ccccc2CSc2nc(C)cs2)nc1C | 0.638517 |
CCCC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@]2(C)C1 | N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)cc1 | 0.627593 |
C=CCN1C(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2C1=O | CC[C@H](C)[C@H](CO)NC(=O)Cn1ccc2c(cnc3ccnn32)c1=O | 0.56059 |
O=C(NC[C@H](c1ccco1)N1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 | N#Cc1c(C2CCCC2)nn(Cc2ccccc2F)c1N | 0.579665 |
c1coc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)c1 | COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 | 0.509351 |
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1ccccc1 | CCOC(=O)N1CCC(n2ccnc2-c2cnc(-c3ccccc3OC)s2)CC1 | 0.544008 |
CCc1nc(N)nc(NC[C@@H](O)COc2cccc(OC)c2)c1C | O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1 | 0.513043 |
CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC | O=C(N[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 | 0.511526 |
Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5cccc(F)c5)[nH]n4)C3)c2c1 | Cc1cccn2c(=O)cc(CN3CCN(Cc4ccc(-c5ccccc5Cl)s4)CC3)nc12 | 0.649485 |
Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl | CN(C)[C@H](C(=O)N1CCn2cncc2C1)c1ccc2c(c1)OCO2 | 0.543784 |
COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 | Cc1cn(Cc2ccccc2)[nH]c1=NC(=O)N1CCOC[C@@H]1c1ccc(F)cc1 | 0.52603 |
O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 | O=C1/C(=N\O)c2ccccc2N1CCOc1ccccc1Cl | 0.565875 |
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 | COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1OCc1ccccc1 | 0.541943 |
CCn1c(SCC(=O)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 | CN1CC=CC[C@@H]1CC(=O)N[C@@H]1CCCC12CN(c1ncnc3cccnc13)C2 | 0.605319 |
CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 | C[C@@H](c1nncn1C)N1CCC[C@H](Cn2cnc3ccccc32)C1 | 0.533627 |
CCc1ncc2n1-c1ncccc1NC21CCN(C(=O)[C@@H]2CCOC2)CC1 | COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 | 0.610718 |
CCS(=O)(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F | COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 | 0.560865 |
COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1OC | C/C=C/C=C/C(=O)OCC(=O)Nc1sc(C)c(CC)c1C(=O)OCC | 0.511732 |
Cc1ccc(NC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1F | COc1ccccc1CN(C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 | 0.543408 |
CCOc1cc(S(=O)(=O)n2cnc(C)c2)c(OCC)cc1C | Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] | 0.553097 |
COCc1cccc([C@@H](C(=O)O)N2CCN(C(=O)c3cccs3)CC2)c1 | Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)N3CCCC3)c(=O)c21 | 0.542857 |
O=C1CN(C2CCCCC2)C(=O)[C@H]1c1noc2ccccc12 | C=CCOc1ccccc1CN1CCC([C@@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 | 0.641509 |
CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1cc(F)c(F)cc1Cl | COCc1ccc([C@@H]2CCCN2Cc2cc(O)c(OC)cc2Br)o1 | 0.604579 |
C[C@H]1CCn2ncc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)c2C1 | CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 | 0.646329 |
C[C@@H](C(=O)N(C)Cc1cc2ccccc2o1)c1ccnn1C | Cc1c(C(=O)NC[C@H](C)C(=O)O)nnn1-c1ccc(F)c(F)c1 | 0.522286 |
Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)CCc3cccnc3)C2=O)cc1 | Cn1cc(CN2CCC[C@]2(C)CCCO)c(-c2cc3ccccc3o2)n1 | 0.622318 |
COc1ccc(CCN2CCC(O)(c3cccnc3)CC2)cc1OC | N#CCCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc(F)cc1 | 0.514995 |
CC(C)c1nc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c(C#N)c2c1CCC2 | CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(C#N)c2)C1(C)C | 0.546524 |
Cc1ccccc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 | NC(=O)Cc1nc(CCc2ccc3c(c2)OCO3)n([C@@H]2CCOC2)n1 | 0.552573 |
CC(C)c1ccccc1-n1ccnc1SCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 | COCCc1noc(CN2CC[C@]3(O)CCN(S(C)(=O)=O)C[C@@H]3C2)n1 | 0.517021 |
CCN1C(=O)[C@@]2(CCCN(C(=O)[C@@H](N)CCC(=O)O)C2)C[C@@H](O)[C@@H]1c1ccccc1 | C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 | 0.565124 |
Cc1ccc2c(c1)c(C(=O)N(CCN(C)C)C[C@@H]1CCCO1)nn2C | Fc1ccc(N2CCC(NCc3nc(Cc4cccs4)no3)CC2)cc1F | 0.50838 |
C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 | COc1cccc(-c2noc(CNC(=O)Cc3ccc(C)cc3C)n2)c1 | 0.549495 |
COc1cc2nc(N3CCN(C(=O)C[C@H](C)O)CC3)nc(N)c2cc1OC | COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)c4ccccc4)C=C[C@@]31CCN(C)C2 | 0.627392 |
COc1ccccc1[C@H]1CCCN1C(=O)c1ccc2c(c1)nnn2C | COCCn1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CCN(C)CC1 | 0.601293 |
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