p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 | CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 | 0.565457 |
CCN1CC[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1 | O=Cc1ccc(N2CCN([C@@H]3c4ccccc4C[C@@H]3NS(=O)(=O)c3ccccc3)CC2)s1 | 0.55755 |
CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3ccn(-c4ccccc4)n3)C2)C1 | CCC(=O)N1c2ccc(C)cc2[C@@H](OC(=O)c2ccccc2)C[C@@H]1C | 0.510989 |
CCOc1ccc(CN2C(=O)/C(=N/O)c3cc(C)ccc32)cc1OC | CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1Cl | 0.618785 |
COc1ccc2cc([C@@H](C)C(=O)N(C)CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)ccc2c1 | CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C | 0.604407 |
CCCC[C@H](CC(=O)OCC)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 | 0.524183 |
CCCNC(=O)c1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)ccc1Cl | CCOc1ccc2[nH]c(C(=O)N3CCC4(CC3)C[C@H](N(C)C(C)=O)[C@@](C)(O)CO4)c(C)c2c1 | 0.522777 |
Cn1nnc2c1C[C@H](C(=O)N1C[C@@H]3CCC[C@]3(C(=O)O)C1)CC2 | CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)cc1 | 0.626667 |
Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cn(C)c(=O)n(C)c1=O)N3 | CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 | 0.673327 |
COC(C)(C)C(=O)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 | O=C(Oc1ccccc1)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@@H]4C3)cc2)cc1 | 0.513024 |
CN(C)S(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1c2c(nn1C)CCCC2 | CCN(Cc1nc(C(C)C)no1)c1cnc(C(=O)O)cn1 | 0.548793 |
COc1ccc(CNCC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC | CCOc1ccc(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)cc1 | 0.518319 |
Cc1cc2c(c(-c3ncccc3C(N)=O)c1)O[C@@H](CN)C2 | O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc2c(c1)OCO2 | 0.523093 |
Cc1ccc(C)c(S(=O)(=O)NCCn2ncccc2=O)c1 | Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 | 0.532609 |
COc1cc(OC)c2c(C)c(CC(=O)NC[C@@H](C)O)c(=O)oc2c1 | COc1ccc(-n2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)cc1 | 0.544743 |
CCC(CC)NS(=O)(=O)c1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1 | Cc1c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)oc2c(Cl)cccc12 | 0.781282 |
CCN(CC)S(=O)(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1 | CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 | 0.611053 |
C=CCN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 | CCc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)cnn1CC(C)C | 0.615942 |
C#CCOc1cccc([C@H](C)NC(=O)Cc2noc3ccccc23)c1 | C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@H]2CCCCO2)C[C@H](C)O1 | 0.536797 |
O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O | O=C1CCc2cc(S(=O)(=O)N3CCOc4ccccc43)ccc2N1 | 0.570652 |
COc1ccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)cc1 | CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 | 0.561662 |
COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)c1 | CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2cc3cc(F)ccc3[nH]c2=O)CC1 | 0.643678 |
Cc1nnc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)s1 | COC1=NCCc2c1[nH]c1ccccc21 | 0.550162 |
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC[C@@H]4CCCO4)ccc3c2=O)cc1 | O=S1(=O)C=C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 | 0.606092 |
CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C | CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 | 0.772414 |
Cc1ccccc1CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 | Cc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)n(C)n1 | 0.520908 |
CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1 | CC(=O)C(C(C)=O)=C1Nc2cccc(C)c2O1 | 0.553479 |
CCCOC(=O)c1cc2c(c(OC)n1)COC(=O)[C@]2(O)CC | O=C(NC1CCN(C2CC2)CC1)C1=NN(c2ccccc2)C(=O)CN1 | 0.57377 |
O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cncc2sccc12 | COc1cc(-c2cnn(CC(=O)Nc3cc(C4CC4)nn3C)c2)nc(N)n1 | 0.610879 |
COc1cccnc1NC(=S)N[C@@H](C)c1cc(C)ccc1C | CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1 | 0.542587 |
CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1OC | C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)C1 | 0.529589 |
O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 | COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OC | 0.543408 |
CCC[C@@](OC)(c1c[nH]cn1)C(c1ccccc1)c1ccccc1 | CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-n3cnnn3)cc2)C1=O | 0.54102 |
O=C(c1ccc2oc(O)nc2c1)N1CC[C@@H](O)c2ccccc2C1 | COc1cnc([C@H]2CCCN2c2cc(C(F)F)nc(SC)n2)nc1O | 0.588912 |
COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cncn3)C2)c1 | CCOCc1cn([C@@H]2C[C@H](C(=O)OC)N(C(=O)C[C@@](O)(c3ncc(C)o3)C(F)(F)F)C2)nn1 | 0.620761 |
COc1ccccc1CN1CCN(C)[C@@H](c2cn3c(-c4ccncc4)cccc3n2)C1 | COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)C[S@@](=O)C3)cc1 | 0.714863 |
Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3CCCCN3)CCO2)cn1 | COc1cc(/C=C/C(=O)NC2CCCCC2)cc(S(=O)(=O)NCc2ccco2)c1OC | 0.529605 |
COC(=O)Cc1cc(=O)[nH]c(/N=C(\N)Nc2cc(Cl)ccc2OC)n1 | CSc1nc2ccsc2c(=O)n1CC(=O)Nc1c(C)cc(C)cc1C | 0.57234 |
Cc1noc(C)c1C(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 | CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)SC(N)=N1 | 0.569114 |
CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C)c3)ccc21 | CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1 | 0.628998 |
Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)CC1 | Cc1nc(CN2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cs1 | 0.508897 |
COc1ccc2cnn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1OC | CC[C@@H](C(=O)NC(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O | 0.514851 |
Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 | O=C(NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 | 0.658763 |
O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nnc2ccccn12 | C#C[C@@H](COC)NC(=O)c1cnc2n1CCOC2 | 0.584906 |
O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(C(c4ccccc4)c4ccccc4)CC3)CN12 | CC(C)CN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C | 0.71003 |
Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 | CCOc1cc(Br)c(CN(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC | 0.556805 |
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)S(=O)(=O)C(C)C | CCO[C@@H](c1ccc(C)cc1)c1noc(Cc2csc(CC)n2)n1 | 0.526882 |
COc1ccc(OC)c([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)c1 | Cc1ccc(Nc2nnc(C(C)(C)C)c(=O)n2N)cc1 | 0.536017 |
CC1(C)Cc2c(C#N)c(OCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1 | C[C@@H](c1ccc(F)c(F)c1)N(C)CCC(=O)Nc1sccc1C#N | 0.548077 |
COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(OC)cc1 | CC1(C)COc2c(S(N)(=O)=O)cnn2C1 | 0.590486 |
Cc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O | Cn1c(Cl)cnc1CN1CCNC(=O)C[C@H]1c1ccccc1 | 0.5189 |
Fc1ccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 | Cn1cc(N2CCC[C@H](NC(=O)NCC3(Cc4ccccc4)CCC3)C2)cn1 | 0.521081 |
O=C(N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1)C1(c2ccccc2)CCCCC1 | O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2ccc(F)cc2)CC1 | 0.548889 |
Cc1nc2cc(F)ccc2cc1C(=O)NCCc1nnc2n1CCC2 | CCn1cc(C#N)c(=O)n(C[C@@H](O)c2ccc(F)cc2)c1=O | 0.538462 |
Cc1cc(C)n([C@H]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C2)n1 | Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)ncn2CCO | 0.599587 |
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN[C@H](C(N)=O)C1 | C[S@@](=O)Cc1noc(-c2ccn(-c3c(F)cccc3F)n2)n1 | 0.575916 |
O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 | C[C@@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1cccs1 | 0.605863 |
C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O | CC[C@@H](C)OC(=O)c1cc(Cl)ccc1N | 0.391525 |
CCOc1cccc(C(=O)Nc2cccc3cccnc23)c1 | CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)cc1 | 0.510369 |
Cc1nccn1-c1ccc(NC(=O)CCn2c(C)csc2=O)cn1 | Cn1cnnc1C[C@]1(O)CCCN(c2cncc(Br)c2)C1 | 0.546577 |
NC(=O)CSc1nccc2c(OCc3ccc(F)cc3)cccc12 | CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1O | 0.50879 |
Cc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)CCC4)[C@@H](C(=O)NC(C)(C)C)[C@@]23C=C[C@H]1O3 | O=C(NCCn1nc(-c2ccco2)ccc1=O)C(=O)Nc1cccnc1 | 0.670319 |
Cc1ccsc1-c1nc2c(cnn2Cc2cccnc2)[nH]1 | O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 | 0.668337 |
C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)NC1CCCCCC1 | Cc1ccc2nc(SCC(=O)NC[C@H]3Cc4cccc(-c5nc(C)cnc5C)c4O3)[nH]c2c1 | 0.638388 |
CC(C)c1ncc2c(n1)CN(CC(=O)Nc1nncs1)CC2 | COc1ccc(C(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)cn1 | 0.558992 |
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 | Cc1ccc(CN2CCCN(C(=O)c3cc4ncccn4n3)CC2)nc1 | 0.599178 |
COc1ccc(C[C@@H]2CCCN2C(=O)N[C@H]2CCN(C3CC3)C2=O)cc1 | COc1cccc(N2C(=O)C[C@H](Sc3nnc(SCc4ccc(Cl)cc4)s3)C2=O)c1 | 0.516496 |
CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 | C[C@@H]1c2ncc(CCOc3ccccn3)n2CCN1C(=O)c1cocn1 | 0.515856 |
CC(=O)Nc1ccc2c(COC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)cc(=O)oc2c1 | COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)cc1 | 0.594538 |
Brc1cnc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc1 | CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 | 0.728797 |
O=C(COc1ccccc1-c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | C[C@H](Cn1cc(Cl)cn1)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccc3c(c1)OCO3)C2 | 0.587284 |
CCC[C@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 | CC[C@H](C)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc2c1=O | 0.608421 |
Cc1ccccc1C(=O)N(C)c1ccccc1C(=O)NC1CCCCC1 | COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2Cc1cccc(F)c1 | 0.511278 |
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)ccc1N1CCNC1=O | CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3F)CC2)sc2c1CC(C)(C)OC2 | 0.661174 |
O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnc2ccsc2c1 | O=C(Cc1cnn(-c2ccccc2)c1)Nc1nnc(-c2ccccn2)s1 | 0.504505 |
CCOC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 | Cc1occc1-c1nnc(SC[C@@H]2CCCN(C)C2=O)o1 | 0.61658 |
O=C(c1ccc(F)c(O)c1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O | NC(=O)c1cnn2c(O)cc([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 | 0.644964 |
CCOc1ncccc1C(=O)Nc1cc(C)nn1[C@@H](C)C1CC1 | C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1)c1ccccc1 | 0.591054 |
c1nc(N2CC[C@]3(C2)Cn2c(nnc2CN2CCCC2)CO3)c2nc[nH]c2n1 | CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc([N+](=O)[O-])c1O | 0.663609 |
Cc1ccc(-n2c(SCC(N)=O)nc(O)cc2=O)cc1 | COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(OC)cc1OC | 0.513274 |
CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] | CCOc1cccc2c1OC(=O)C1=C(N)S[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@H]12 | 0.613161 |
Cn1ccc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1=O | CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 | 0.526316 |
Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)c3oc4c(c3C)C(=O)CCC4)CC2)c1 | CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 | 0.549733 |
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 | O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O | 0.644068 |
COc1ccc(-c2nnn(CC(=O)Nc3nnc(C)s3)n2)cc1OC | COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 | 0.582505 |
Cc1nocc1C(=O)N[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cn1 | Cc1cnc(C)c(N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)n1 | 0.507592 |
CCC(CC)C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccoc2C)C1 | Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@@H](C)C3CC3)c12 | 0.640919 |
CSc1ncc(C)c(N2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 | CCOC(=O)c1sc(NC(=O)CN2CCCCC2)c(C(=O)Nc2ccccc2)c1C | 0.622934 |
O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 | Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 | 0.569697 |
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 | N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccco4)C2)C3)c1 | 0.614035 |
COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1OC | CNC(=O)c1ccc(OC)c(NC(=O)N2CCC(CCn3cccn3)CC2)c1 | 0.533721 |
O=C(Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S)Nc1ccc2c(c1)OCO2 | CCOc1ncnc2c1CN(CCCC(=O)NC(N)=O)CC2 | 0.5587 |
c1c(C2CCCCC2)noc1CN1CCN2CCCC[C@@H]2C1 | CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 | 0.504264 |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(OC)c1 | Cc1cc(N[C@@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 | 0.586134 |
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(OC(F)(F)F)c3)n2)c1 | Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(F)c(F)cc2Cl)c(C)c1 | 0.552828 |
COc1cc2nc(CN3CCOCC3)nc(OCC(=O)N3CCCCCC3)c2cc1OC | COC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc(C(=O)OC)c1 | 0.629328 |
C=CCN1C(=O)/C(=N/N=C/c2ccc(OC(F)F)cc2)c2ccccc21 | COc1ccccc1C(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 | 0.597266 |
C[C@]1(Cl)C(=O)C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)[C@]1(C)Cl | CC(C)c1noc([C@@H]2CCCN2C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)n1 | 0.633745 |
Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1 | Cc1noc(C)c1-c1c(C)nn2cccnc12 | 0.506051 |
CO/N=[N+](\O)CC(=O)N1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 | O=C(Nc1ccc(F)cc1)[C@H]1Sc2nnc(COc3ccccc3)n2N[C@@H]1c1ccc(F)cc1 | 0.694416 |