p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CN(Cc1ccccc1OCc1ccccc1)C(=O)Cn1nc(-c2ccccc2)ccc1=O | O=C1CC[C@H](N2Cc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)O)C4)cc3C2=O)C(=O)N1 | 0.56 |
CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 | C[C@H]1CC[C@H](C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)CC1 | 0.543223 |
COc1ccc(-c2nccnc2NC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1 | O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCC2 | 0.664943 |
Cn1ncc2c1C[C@H](C(=O)NCCc1ccn(-c3ccccc3)n1)CN2 | Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccccc2F)C4)n1 | 0.667335 |
CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=O)c4ccccc4C3(C)c3ccccc32)c1 | Cc1cn2cc(NC(=O)CN3CCCC[C@@H](O)C3=O)ccc2n1 | 0.567118 |
Cc1cnc2c(c1SCC(=O)Nc1ccc(C(F)(F)F)cc1)c(=O)n(C)c(=O)n2C | COc1ccc(-c2noc(CN(C(=O)NC(C)(C)C)C3CCCCC3)n2)cc1 | 0.534188 |
CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCCc4ccccn4)cn23)C1 | COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2c(OC)cccc2OC)c2cccs2)cc1 | 0.607635 |
Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c(=O)[nH]c1C | C[C@H](Cc1cccnc1)NC1CCN(c2cccc(-c3cscn3)c2)CC1 | 0.563017 |
COc1cc([C@H]2CC(=O)c3c(C)cc4oc(=O)cc(C)c4c3O2)cc2c1OCCO2 | COCc1ccccc1C(=O)N[C@@H]1C[C@@]2(C[C@H]1O)CN(C)[C@H]2C(C)C | 0.576923 |
COc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 | Cc1noc(C)c1S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 | 0.631098 |
O=C(NOC1CCOCC1)[C@@H]1CCCc2n[nH]cc21 | CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C | 0.535525 |
O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2cccs2)no1 | COc1ccc(N([C@@H](C)C(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1Cl | 0.542261 |
CCn1c(=O)c(C(=O)COc2ccc(F)cc2Br)c(N)n(Cc2ccccc2)c1=O | CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 | 0.566528 |
CN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 | CCCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 | 0.529968 |
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cc1 | O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1ccco1 | 0.740519 |
Cn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3 | Nc1nnnn1CC(=O)NCc1cccnc1Oc1ccc(F)cc1F | 0.603696 |
Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCNC2)n1 | Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)CCn2ccnc2)C1 | 0.535059 |
CCn1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2CCOC)C3)n1 | C[C@@H]1CCn2ncc(C(=O)N3CCC4(CCC4)C3)c2C1 | 0.663055 |
O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1c[nH]c2ccc(Cl)cc12 | O=C(NC1CCN(c2cccnn2)CC1)c1onc2ncccc12 | 0.567481 |
COc1ccc(C(=O)N2CCC[C@@]23CCCN(c2ccc(C)cc2)C3=O)cc1 | CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C(C)C)cc2n1 | 0.659044 |
COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1C(N)=O | CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 | 0.696466 |
Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)c1 | COc1cc(Br)c(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1O | 0.505998 |
Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn12 | Cn1nccc1CN1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 | 0.522751 |
O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 | COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC | 0.628049 |
O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 | O=C1COc2cc(C(=O)NC[C@@H]3CNCCCO3)ccc2N1 | 0.5213 |
CCOCCNC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 | CC[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 | 0.573754 |
Cc1cc(-c2cc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)c3cnn(C(C)C)c3n2)c(C)s1 | O=C(Nc1cnc2ccccc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 | 0.733068 |
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(O)c(O)c1 | COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc(OC)c1OC | 0.82652 |
CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n(C)c1 | O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc2ccccc2[nH]1 | 0.540154 |
COC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl | COCCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O | 0.59018 |
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(C2CC2)n(C)n1 | CCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 | 0.571584 |
C[C@@H](NC(=O)c1ccccc1OC1CCC1)C(=O)N1CCOCC1 | CCc1nc2ccc(NC(=O)N3CCC[C@H]3C(=O)N3CCCCC3)cc2[nH]1 | 0.501214 |
Cc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1 | Cc1ccc(-n2nc(C)cc2NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1 | 0.62278 |
C[C@H](c1noc(-c2ccnc3ccnn23)n1)[C@@H]1CCCO1 | O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1n[nH]c(=O)[nH]1 | 0.575053 |
Cc1nc(-n2cccc2)sc1C(=O)N[C@H](C(=O)O)c1ccccc1 | O=C(C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)N[C@@H]1CN2CCC1CC2 | 0.63278 |
CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 | CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(F)c2)NC(=O)N1C1CC1 | 0.581612 |
CS(=O)(=O)N1Cc2cncn2[C@@H](CNC(=O)C2CC2)C1 | CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 | 0.508215 |
COc1ccc([C@H](NC(=O)c2c(F)cccc2OC)[C@H]2C[C@@H](O)C2)cn1 | CC(=O)OC[C@@H]1O[C@@H](n2cnc3[nH]c(=S)[nH]c(=S)c32)[C@@H](OC(C)=O)[C@H]1OC(C)=O | 0.643808 |
C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2N1S(C)(=O)=O | C[C@H](c1ccccn1)N(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)C1CC1 | 0.588482 |
COc1ccc(N2CCC[C@@](C)(C(=O)Nc3ccc(OC)c(OC)c3)S2(=O)=O)cc1 | Cc1ccc(CS(=O)(=O)N2CCN(c3nccc(C(C)C)n3)CC2)cc1F | 0.52649 |
C[C@@H]1Sc2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)cc2NC1=O | CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1[C@@H](C)COC | 0.588745 |
Cc1cc(C(F)(F)F)nc(N2C[C@H](F)C[C@H]2C(N)=O)n1 | Cc1ccc(C)c(Cn2cnc3c(cnn3[C@H]3CCS(=O)(=O)C3)c2=O)c1 | 0.538213 |
Cc1nnc([C@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)o1 | Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2[C@@H]2CC(=O)N=C3N=CNN32)c1 | 0.618998 |
Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 | CO[C@](C)(C(=O)N1CCC[C@H](c2nnc(O)o2)C1)c1ccccc1F | 0.699492 |
C=C1c2ccccc2NC(=O)N1[C@H](C)c1ccccc1F | C[C@@]1(O)CCN(Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 | 0.568837 |
CC(C)N1CCc2c(O)nc([C@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)nc2C1 | CNC(=O)c1cc(S(=O)(=O)NCCN2CCCC[C@@H]2CO)cs1 | 0.548218 |
CC1=NO[C@@H](CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 | O=C1CC2(CCCCC2)Oc2cc(OCC3(CO)COC3)ccc21 | 0.556244 |
O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](CN2CCOCC2)C1 | Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O | 0.58215 |
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ncccn2)CC1 | CCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 | 0.581176 |
COc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3CC(N)=O)cs2)cc1OC | C[C@@]1(C(=O)NC[C@H](NC(=O)c2cncc3[nH]ccc23)c2ccc3ccccc3c2)CNC(=O)C1 | 0.667347 |
Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)Cc1cccc(Cl)c1Cl | COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)NC4=C3C(=O)OC4(C)C)o2)cc1 | 0.559838 |
COCCN1C(=O)N=C(O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O | Cc1cc(C)n2nc(C(=O)N(C)[C@@H](C)C(C)(C)C)nc2n1 | 0.614314 |
CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1 | COc1ccc(OC)c([C@H]2CCN(Cc3ncccc3C(=O)O)C2)c1 | 0.615887 |
COCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)c2ccccc21 | NS(=O)(=O)c1cc(F)c(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 | 0.539959 |
C[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4c(=O)n3C3CCCC3)c2C(N)=O)C1 | C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(N)=O | 0.621866 |
CC(=O)NC[C@@H]1CCCN(C(=O)c2coc(COc3cccc(F)c3)n2)C1 | C[C@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)c1cc2ccccc2oc1=O | 0.588057 |
C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc2ccc(Cl)cc2[nH]1 | COc1ccc(-c2cc3ccc4c(c3oc2=O)CN([C@@H]2CCS(=O)(=O)C2)CO4)cc1OC | 0.554613 |
Cc1nc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)[nH]c1C(=O)O | Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 | 0.501136 |
Cc1nc(O)c2c(n1)[C@@]1(CCCN(S(=O)(=O)Cc3ccc(F)cc3)C1)CC2 | COc1ccc(S(=O)(=O)NCCCn2ccnc2)c(C)c1C | 0.529968 |
COc1ccccc1NC(=O)[C@H](C)OC(=O)CCc1c(C)noc1C | COC(=O)c1c(NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 | 0.575442 |
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 | Nc1nc(CNC(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)cs1 | 0.609424 |
O=C(c1cccc2cc[nH]c12)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | CCNc1cc(C)nc(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)n1 | 0.518957 |
COc1ccc(Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1OC | COc1cc(OC)c(C2=CCN(c3ncnc4sccc34)CC2)c(OC)c1 | 0.653886 |
COc1ccc(OC)c(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)c1 | COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc[nH]c1 | 0.507973 |
Cc1cc(C)n(-c2ccc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cc2)n1 | CCc1ccc(C2=C[C@H](c3cccc(Br)c3)[C@@H](C#N)C(=O)N2)cc1 | 0.626543 |
O=C(N[C@@H](Cc1ccncc1)CC1CCCC1)c1cc(F)c(F)c(F)c1 | COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2C(=O)NC2CC2)cc1C | 0.514349 |
O=[N+]([O-])c1cc(Br)c2nsnc2c1N1CCOCC1 | NS(=O)(=O)c1ccc(CC(=O)N2CCc3ncccc32)cc1 | 0.536036 |
O=C(O)COCC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)ccc2O)C1 | CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O | 0.528481 |
Cc1nc2sc3c(c2c(=O)n1C[C@H](O)COCc1ccccc1)CC[C@@H](C)C3 | Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 | 0.607763 |
CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1(COC)C(N)=S | COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2ccc3c(c2)OCO3)c1O | 0.696049 |
Cc1snnc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1 | Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCC1(c3ccccc3)CCOCC1)C2 | 0.668737 |
COc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)cc1 | Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](ON(c4ccccc4)[C@H]3c3ccccc3)C2=O)c(C)c1 | 0.575605 |
COc1cccc2c1CN(C(=O)N[C@H]1C[C@@]1(F)c1ccccc1)C2 | CCC[C@@H](C(=O)NC)n1ccnc1-c1cnc(N(C)C)nc1 | 0.504535 |
Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c1 | CCCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 | 0.515625 |
Cc1ccsc1CN(Cc1cccn1-c1ncccn1)CC(C)C | O=C1N=C(O)N=C(O)[C@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@@H]12 | 0.550562 |
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1 | C[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2[nH]ccc12 | 0.505946 |
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1C | Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)COc2ccc(C#N)cc2)o1 | 0.593256 |
CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1 | Cc1ccc2nc(CNC(=O)[C@@H]3CCCc4nccn43)cn2c1 | 0.534699 |
Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1C(C)C | COc1cccc(C2=C[C@@H](c3ccccc3OC)n3nnnc3N2)c1 | 0.522917 |
Cc1ncsc1-c1ncccc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 | COCCN(Cc1ccco1)C(=O)[C@H]1CNC(=O)N1 | 0.53527 |
CC(C)(C)OC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 | CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2ccccc12 | 0.582199 |
CCOc1ncccc1C(=O)N[C@H]1CCc2nnc(CC)n2C1 | Cc1cc(Br)ccc1[C@H]1CCCN1CCc1cn(CC(=O)O)nn1 | 0.526835 |
Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccnc2)C1=O | O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 | 0.589357 |
COC(=O)[C@H]1CN(Cc2nnc(C(C)C)o2)c2ccccc2O1 | CNc1ncc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)s1 | 0.523652 |
COc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C | COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc(OC)c1OC | 0.591489 |
COc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1OC | c1cnc2nc(C3CCN(c4ccc(C5CC5)nn4)CC3)ccc2c1 | 0.581897 |
CCOC(=O)C1=C(COC(=O)c2c(C)nsc2NC)NC(=O)N[C@@H]1c1ccc(OC)cc1 | CC(C)(C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 | 0.521069 |
Cc1nn(-c2ncccn2)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(O)=N2 | CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3COC[C@H]3O)c12 | 0.642931 |
COc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1 | COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(OC)n1 | 0.550562 |
O=C(COc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc2c(c1)OCCO2 | Cc1cc(F)ccc1NC(=O)CCn1cnc2c(cnn2C)c1=O | 0.540628 |
COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccc(C(F)(F)F)c1 | Cc1nc(C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)c2ccnc-2[nH]1 | 0.592476 |
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 | COC(=O)[C@H](CCSC)NC(=O)c1cc(-n2cccc2)ccc1Cl | 0.560729 |
O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1ncccn1)CC2 | CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(F)c1)CC2 | 0.581878 |
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 | CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C | 0.898331 |
Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccs1 | O[C@H]1CN(c2nc(-c3ccccc3)no2)CC[C@@H]1c1ccc2c(c1)OCO2 | 0.605514 |
C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc2c(c1)CCC2 | COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1cccc([N+](=O)[O-])c1 | 0.610134 |
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](NCCCN1CCCC1=O)C2 | N#Cc1ccccc1N1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 | 0.623173 |
Cc1nc(CNC(=O)Nc2ccnn2-c2ccccc2C)no1 | Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)c(C)c1 | 0.607069 |
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccccc1F | COc1cccc([C@H]2[C@H](NC(=O)c3ccon3)CCN2C2CC2)c1 | 0.679622 |
CCCn1c(C)nnc1CS(=O)(=O)c1cccnc1 | CCCN(Cc1cc(=O)n2c(C)csc2n1)Cc1nnc(-c2cccs2)o1 | 0.502657 |
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