p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CCCOc1cccc(-c2noc([C@@H]3CCC(C)(C)O3)n2)c1 | Cn1cc(N2CC[C@H](N3Cc4ccccc4C4(CCC4)C3)C2=O)cn1 | 0.56 |
CC(=O)c1ccccc1N/C=C1/C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21 | O=S(=O)(Cc1noc2c1CCCC2)N1CCNC[C@H]1c1cccnc1 | 0.727992 |
O=S(=O)(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccc(F)cc1 | Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CS(=O)(=O)C3)c1 | 0.593395 |
CCOC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 | COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(Br)cc2)cc1 | 0.526437 |
CC(C)N1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S | CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 | 0.678173 |
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1nc(C)c(C)o1 | CC[C@H](CO)N(Cc1ccco1)C(=O)c1cccnc1OC | 0.536082 |
CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2c(F)cccc21 | O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 | 0.515464 |
COc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 | CCC(=O)Nc1cc2c(cc1OC)[C@@H](c1cc(C)ccc1C)CC(=O)N2 | 0.546804 |
N#Cc1cccc(N2CC[C@]3(CN(C(=O)c4csnn4)CCC3(F)F)C2)c1 | Cc1ncsc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 | 0.599562 |
COc1ccc(-c2nc(C)c(C(=O)N3CCNC(=O)C3)s2)cc1OC | C[C@@H](Oc1ccc(C#N)cc1)c1ccnc2ncnn12 | 0.504994 |
COC(=O)c1sccc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1 | CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc21 | 0.535714 |
O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cccnc2)CN1Cc1ccco1 | CCC[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1NC(C)=O | 0.535885 |
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1sc2c(c1C#N)CCC2 | C[C@@H](Cn1cccn1)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O | 0.565264 |
CN(Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCOC1 | O=C1COc2cc(C(=O)N[C@H]3c4cccc(O)c4C[C@H]3C(=O)O)ccc2N1 | 0.563492 |
C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCF)c1)N(C)C | Cc1csc([C@H](C)N(C)C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)n1 | 0.580376 |
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1C | Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1C1CC1 | 0.508353 |
CCn1cnnc1CCNC(=O)c1csc2nc(-c3ccccc3F)cn12 | O=C(Nc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c1cnn2CCO | 0.668037 |
O=C(Cc1cnccn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 | Nc1ncc(CN2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 | 0.593275 |
CC[C@H](C)c1ccccc1NC(=S)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC | CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl | 0.626569 |
O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1F | CN(c1nnc(-c2ccccn2)n1Cc1ccco1)C1CC1 | 0.651905 |
CCCCOc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1 | COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc4c(c2)OCCO4)C1=O)C3 | 0.613872 |
CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 | 0.55377 |
CCc1n([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)c(C)c(C)[n+]1[O-] | COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 | 0.528785 |
COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N3)cc1 | CCN1C(=O)C[C@@H](CNC(=O)c2ccc(F)cc2C)[C@@H]1c1cccnc1 | 0.613472 |
c1ccc2c(c1)-c1nc3ccccc3cc1[C@H]2N1CCCCC1 | CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 | 0.512169 |
Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccccc4Cl)n3n2)cc1C | CN(c1ccc(OCC(=O)NCCc2ccccn2)cc1)S(=O)(=O)c1cccs1 | 0.537623 |
CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 | CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 | 0.568312 |
O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)c1 | CC(C)(CC(=O)O)CC(=O)N1C[C@H](O)C[C@](C)(O)[C@@H](n2cnc3c(N)nc(N)nc32)C1 | 0.575314 |
COc1cc(C(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)ccc1Cl | CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 | 0.594784 |
COCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1[C@@H](C)c1ccccc1 | Cc1ncc2c(c1-c1noc(-c3ccoc3)n1)CCN(C(=O)[C@H]1CCCO1)C2 | 0.759443 |
CN(C)CCNC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 | CC(=O)N1[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]3CCC[C@H]1[C@]3(C)C2 | 0.5228 |
CCc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 | CCN(CC)[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccsc1 | 0.5397 |
Cc1cc2c(c(=O)n1C)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 | CCc1nc(C)c(C(=O)NCc2cnc3cnccn23)o1 | 0.619919 |
CN(C(=O)CSc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 | N#Cc1ccccc1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | 0.572805 |
COc1ccc(C(=O)N2CCC(C(=O)N3CCn4cccc4[C@H]3C)CC2)cc1 | O=C(c1ccc[n+]([O-])c1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 | 0.553293 |
Cc1cc(CN2CCC[C@@](O)(Cc3nc(C)no3)C2)ncn1 | Cc1ocnc1C(=O)N1CCO[C@@H](c2nccnc2N)C1 | 0.520487 |
Cn1cc(/C=C2/CCCc3cc(Br)ccc3C2=O)c(=O)n(C)c1=O | Cc1nn(CCNC(=O)C2(c3ccccc3)CCOCC2)c(C)c1-c1ccsc1 | 0.610759 |
Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)C1CC1 | Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)CC2=O)c(C)c1 | 0.5623 |
CCCn1nc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)ccc1=O | C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 | 0.68246 |
Cc1ccccc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O | O=C1C(=CNc2cccc3cccnc23)C(=O)c2ccccc21 | 0.536797 |
COc1cc(-c2nc(C)c(C(=O)Nc3cc(C)ccc3O)s2)cc(OC)c1OC | CCc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 | 0.693239 |
N#C[C@@H](C(=O)c1cccn1C1CC1)c1nc2ccccc2n1C(F)F | C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(=O)NC3CCCC3)c2C1 | 0.694274 |
COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)c(=O)c2c1 | CC(C)Cc1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 | 0.529924 |
Cn1cc(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc21 | CCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccccc21 | 0.505251 |
CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)n1C | Cc1nc2nc(C)c(CCC(=O)N3CCCC[C@H]3CCc3ccccc3)c(C)n2n1 | 0.627737 |
CC(C)(C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(CNC(=O)C3(C)CCC3)C2)C1 | C[C@@]1(Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@@H](C(=O)O)[C@@](C)(O)[C@](C)(O)[C@@]1(C)O | 0.5 |
Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)c(=O)c23)s1 | CC(=O)Nc1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cs1 | 0.566327 |
Cc1oc2c(c1C(=O)N[C@H](C)C1=CCCCC1)C(=O)CCC2 | O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccccc1 | 0.722843 |
CCOc1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)c([N+](=O)[O-])cc1OC | COc1ccc(C)cc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 | 0.636364 |
CCSc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O | O=C1Nc2ccc(Br)cc2/C1=N/NS(=O)(=O)c1ccccc1 | 0.565976 |
CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 | COC(=O)C1=C(O)[C@H](C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@H]1c1ccc(SC)cc1 | 0.614594 |
COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 | CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)c(C)c2)c1C | 0.531522 |
CC(C)CCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 | O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | 0.51464 |
Cc1cc(CSc2ncccc2C(=O)OCC(=O)c2cc(C)n(C)c2C)no1 | Cc1cc(C)nc(N2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)n1 | 0.585987 |
COc1ccc([C@@H](CC(=O)N[C@H]2CN3CCC2CC3)c2c(O)n3ccccc3nc2=O)cc1 | COCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C | 0.564805 |
COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O | CN(C)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(Cl)cc2s1 | 0.6294 |
O=C(NC1CCC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 | Cc1noc(-c2ccc(S(=O)(=O)NC3CCS(=O)(=O)CC3)o2)c1C | 0.537445 |
CCCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC | COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCCOc3ccccc3OC)C2=O)cc1 | 0.745796 |
C[C@@H](NCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1 | CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@H](C)C2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 | 0.501099 |
COc1cc(OC)cc([C@H](NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c2nccn2C)c1 | O=C(O)COc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 | 0.530655 |
COc1cc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc(OC)c1 | CC(C)CN1CCCC[C@@H]1c1cccnc1NC1CC1 | 0.508436 |
CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C)c1)OCO3 | O=C(NCc1cc(-c2cccs2)on1)c1ccccc1S(=O)(=O)C(F)F | 0.549521 |
Cc1cccc(CN2CC3(C[C@H](OCc4cccnc4)CS3)C2)c1 | C[C@@H]1CN(C)c2ccccc2CN1C(=O)CN1C(=O)NC(=O)C1(C)C | 0.5 |
CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(S(C)(=O)=O)CC3)C1=O | Cn1cnc(S(=O)(=O)N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c1 | 0.556161 |
CCOC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2cncn21 | COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)nc(OC)n1 | 0.57745 |
O=C(O)CCCc1nnc2ccc(N3CCSCC3)nn12 | NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(OCc3cn4ccccc4n3)cc2)c2ccccc2O1 | 0.553305 |
CCOC(=O)C1=C(CN2CCC(C(N)=O)(N3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 | CC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC | 0.595833 |
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F)c1ccc(F)cc1 | Nc1cncc(-c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2)n1 | 0.52619 |
Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ncc(CO)n1C | Cc1nsc(N2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 | 0.5 |
Cc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 | Cc1noc(C)c1[C@@H](C)CN=c1[nH]c2c(c(C#N)c1C#N)CCCCCC2 | 0.514831 |
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 | COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)[C@@H]1CC13CCCC3)CC2 | 0.630151 |
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 | COCC(=O)N1CCC[C@@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 | 0.505787 |
C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O | CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC | 0.673428 |
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1c[nH]c2ccccc12 | Cc1cc(O)nc(N2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)n1 | 0.524194 |
Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C(=O)O)c1 | O=C(O)[C@H](c1c[nH]c2cc(Br)ccc12)N1CCCN(c2ncccn2)CC1 | 0.501099 |
Cc1ccc(N2C[C@@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1C | CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C | 0.505814 |
N#Cc1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc2c1CCC2 | CC(C)c1cc(CNC(=O)Cn2nnnc2CN2CCCC2)on1 | 0.527348 |
CCc1ccc(CS(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 | CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1 | 0.503311 |
Cc1ccc([C@@H]2SC(=O)NC3=C2C(=O)c2ccccc23)cc1 | COc1cccc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1OC | 0.585519 |
CC1(C)NC(=O)N(CC(=O)NCCc2noc(C3CCCC3)n2)C1=O | CCOC(=O)c1c(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)sc2c1CC[C@@H](C)C2 | 0.594188 |
CCN(CC)C(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 | CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O | 0.510121 |
CONC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O | Cc1noc([C@H]2CCN(C(=O)c3oc(Br)cc3C)C2)n1 | 0.501149 |
Cc1cccc2c1OCC[C@@H]2NCc1cnn(C(C)C)c1 | O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@@H](c2cccs2)C1 | 0.531532 |
COc1ccc(C(=O)[C@H](C)Sc2nnnn2C(C)(C)C)cc1OC | Cc1nc(CCN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)cs1 | 0.509761 |
CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCC2 | COCCN(Cc1ccoc1)S(=O)(=O)c1cccc(Cl)c1C | 0.564549 |
COc1cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] | O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 | 0.5 |
C[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 | CCOc1ccccc1CN1CCN(C(=O)c2ccccn2)C[C@@H]1CCO | 0.571429 |
CCc1c(C(=O)N[C@@H](C)CN2CCOCC2)cnn1-c1ccccn1 | Cc1ccc(OCC(=O)N2N=C(CCC(C)C)C[C@@]2(O)C(F)(F)F)cc1C | 0.591195 |
Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 | C=CCc1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc(OC)c1O | 0.545064 |
COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)[nH]c3ccccc13)=C2 | O=c1cc(CSc2nnc(-c3ccc(Br)cc3)o2)nc2sccn12 | 0.620332 |
Cc1oc(-c2ccccc2)nc1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 | CC(C)CN1[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2OCCS1(=O)=O | 0.639144 |
CCOc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1OC)S(C)(=O)=O | CC[C@@H]1C(=O)NCCN1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 | 0.520174 |
Cc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c(Cl)c1Cl | C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O | 0.514925 |
CC1=C(C(=O)N2CCN(c3ncc(C)s3)CC2)S(=O)(=O)CCO1 | CN1CCN(C[C@]2(O)CCN(C(=O)c3ccc4ccccc4n3)C2)CC1 | 0.502232 |
O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCO | 0.662638 |
O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 | Cc1ccc(Cn2cc(-n3c(S)nnc3[C@@H](C)n3ccc(C)n3)cn2)cc1 | 0.576882 |
CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 | C[C@]12C[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 | 0.54668 |
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(Br)cc2s1 | CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2ccsc12 | 0.629989 |
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 | COc1ccccc1OCc1nnc(SCc2nnc(-c3ccccc3OC)o2)o1 | 0.580645 |
O=C(NCc1nnc2n1CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2)c1ccncc1 | CC(=O)NC(=S)Nc1ccccc1-c1ccc(C(=O)O)o1 | 0.512141 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.