p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 | CCC(=O)N1CC[C@@H](Nc2nccc(N[C@H]3CCCOC3)n2)C1 | 0.437647 |
Cc1ccn(C)c(=O)c1NC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 | COc1ccc(CCn2cnc(C#N)n2)cc1 | 0.331203 |
CN(CC(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)Cc1ccncc1 | O=C(c1cc(C(F)F)[nH]n1)N1CCCN(Cc2cccnc2)CC1 | 0.403112 |
CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 | COC(=O)c1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc1 | 0.347879 |
Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3cc(Br)ccc32)cc1 | CCOC(=O)c1cnn(C2CCCCC2)c1N | 0.478624 |
NS(=O)(=O)CCC[S@](=O)Cc1cccc2ccccc12 | O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCCC1 | 0.242315 |
C[C@H](N[C@@H]1CNCC[C@]1(O)c1ccccn1)C12CCC(CC1)C2 | Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 | 0.646578 |
Cc1cnc(NC(=O)[C@H]2CSc3ccccc32)c(Br)c1 | CCn1nnc(C)c1C(=O)Nc1ccc(CCC(C)C)cc1 | 0.478163 |
CCC(CC)C(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1 | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1cc2n(n1)CCC2 | 0.58147 |
CC(C)c1cc(C(=O)NCc2ccc3c(c2)CCCO3)on1 | CNC1CCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 | 0.509281 |
COc1ccc(OCCn2cccc(C)c2=O)c([N+](=O)[O-])c1 | O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCN(c2ncccn2)CC1 | 0.434524 |
CC(C)[C@@H]1NC(=O)N(C[C@H]2CCO[C@H](C)C2)C1=O | CN1CCN(c2ccnc(C#N)c2)CC1 | 0.263736 |
Cc1cc2c(cc1NC(=O)N1CCCC[C@@H]1CCc1ccccn1)OCCO2 | C=CC(=O)N1CCC(C(=O)N[C@H]2CC2(C)C)CC1 | 0.298684 |
O=C(c1csc([C@H]2CCCO2)n1)N1CC[C@H](Nc2ccccc2)C1 | O=C1OCC(CO)(CO)N/C1=N/Nc1ccc(Cl)cc1[N+](=O)[O-] | 0.509372 |
O=C(CC1CCCCCC1)N1CCC(n2cc(C3CC3)nn2)CC1 | Cn1ncc2c(NC[C@@H]3CCCc4ccccc43)ncnc21 | 0.411561 |
CN(C(=O)CSc1ccccn1)c1ccccc1C(=O)NCc1ccco1 | CCc1nn2c(=O)cc(CSc3nnnn3-c3ccc(OC(F)(F)F)cc3)nc2s1 | 0.578108 |
C[C@H]1C[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CCN1Cc1ccccc1 | Cc1cc(C(=O)O)ccc1NC(=O)CCC1CCCC1 | 0.318119 |
O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1)N1CCCCO1 | CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccccc1)CS(=O)(=O)C2 | 0.614035 |
O=C(c1ccco1)N1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 | CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2[nH]1 | 0.547027 |
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(Cc3ccccc3F)C3CC3)CC2=O)cc1 | CCn1c(-c2ccccc2)cs/c1=N\c1ccc(O)cc1 | 0.494015 |
CCN1C(C(=O)c2ccccc2)=C(OC)c2ccccc2S1(=O)=O | CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)cc(OC)c2OC)n2ncnc2N1 | 0.84252 |
O=C(NCc1cccnc1OCC(F)(F)F)c1ccnc(F)c1 | COc1cccc(CNCC(=O)O)c1OCC(=O)O | 0.374468 |
COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccccn12 | Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](CCO)c1cccs1 | 0.519397 |
Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnc(C)nc1C(C)C)C2 | CCCCS(=O)(=O)N1CC[C@@H](CNc2nc(O)c3ccccc3n2)C1 | 0.514509 |
COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)cc1 | Cc1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C(C)C)cc1Cl | 0.447761 |
CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 | Cc1nnc(CN(C)C(=O)COc2ccc(I)cc2)n1C | 0.386792 |
O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 | CN1CC[C@H](CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c2ccccc21 | 0.579295 |
CCOC(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)c(C)c1 | COc1ccc(CC(=O)N2Cc3cncnc3C2)cc1OC | 0.381748 |
CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 | Clc1ccc(-n2nnnc2/C=C/Nc2ccccc2)cc1 | 0.400709 |
COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O | CN1CCN(C[C@H]2CN(C)Cc3nccn3C2)CC1 | 0.409404 |
Cc1cc(C)cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)c1 | O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@@H]1O | 0.39714 |
CCOC(=O)C1=C(CSc2nnc(-c3ccccc3)n2C)NC(=O)N[C@H]1C | CC1(Cn2cc(COc3ccccc3O)nn2)COC1 | 0.419037 |
Cc1cn2c(/C=N/O)c(Cl)nc2s1 | Cc1cc(C(=O)N2CCO[C@@](C)(C(=O)N(C)C)C2)n2nccc2n1 | 0.510661 |
COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(nnn2Cc2ccccc2)c1=O | O=C(NC[C@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 | 0.535491 |
c1cnnc(NC[C@@H]2CN(C[C@H]3CCOC3)CCO2)c1 | C[C@H]1OCC[C@H]1NC(=O)Nc1ccc(-n2cccn2)cc1 | 0.373887 |
CCS(=O)(=O)[C@H]1[C@H](C(=O)O)[C@@H]1c1ccc(F)cc1 | Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3)s2)cc1 | 0.397327 |
CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCN(C)C(C)(C)C3)nc2)C1 | CS(=O)(=O)c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 | 0.418224 |
O=C1CN(C(=O)CCC(=O)N[C@H](c2cccs2)C2CCCC2)c2ccccc2N1 | COc1cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)on1 | 0.492554 |
C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CC2(CCOCC2)O1 | CCO[C@@H](C)C(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1 | 0.467266 |
CCN1CCN(c2ccc(C(=O)Nc3cncnc3N3CCCC3)cc2F)CC1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 | 0.564496 |
CC1(C)C[C@](O)(CNCc2ccc(Cl)cc2)CCO1 | Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 | 0.263074 |
CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)c1ccccc1 | Cn1nc(C(=O)NCc2nc(C3CCOCC3)no2)ccc1=O | 0.449772 |
CCOC(=O)c1ccc(CNC(=O)CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 | C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@H]1CCC1CCCC1 | 0.468027 |
Cc1ncc(-c2ccc(Cl)cc2)c(N)n1 | CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCC2 | 0.317568 |
Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3ccn(C)n3)c2)cc1 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 | 0.544612 |
COc1cccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c1 | CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSC)cc1 | 0.569182 |
CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)ccc1OCC(=O)O | O=C(CN1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 | 0.555944 |
CC(C)CSc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 | CCc1nnc(NC(=O)NCCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)s1 | 0.425065 |
c1ccc([C@@H]2CCCN(CC3CCNCC3)C2)cc1 | Cc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2n1 | 0.282742 |
COc1ccc(CCNC(=O)C2(C(=O)O)CC2)c(Cl)c1 | CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 | 0.421419 |
Cc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NCCc1ccccc1)CSC2 | COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 | 0.391846 |
Cc1ccc(OCCCCNC(=O)c2cc3ccccc3oc2=O)cc1 | O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc2[nH]c(CO)nc2c1 | 0.489078 |
CN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccccc1-c1ccccc1 | C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1cnn(C)c1 | 0.370173 |
CCn1cc(CNc2cnn(CCF)c2C)cn1 | CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 | 0.438356 |
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-n1cnnc1 | CC(C)[C@H](NC[C@H]1CCCO1)C(=O)O | 0.242579 |
CC1=NN(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 | CC(C)C(=O)OCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 | 0.725743 |
Cc1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1C | COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OC)nc2)cc1 | 0.374831 |
CCCCCCCCNS(=O)(=O)c1ccccc1 | C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=S)n1nnc2cc([N+](=O)[O-])ccc21 | 0.244828 |
Cc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1C(=O)O | COC(=O)C1(CS(=O)(=O)N2CCN(CCO)CC2)CCCC1 | 0.422071 |
Cc1cccc(OCC(=O)N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 | Cn1cc(CN2CC[C@@H](N)C2)c(C(N)=O)n1 | 0.343666 |
Cc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(F)cc3)c3ccccc32)cc1C | C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O | 0.691617 |
CCN(CC)C(=O)CCCNS(=O)(=O)c1ccc(C)cc1C | CCOc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(N)c1 | 0.336525 |
Cc1nc(N2CCC(NS(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)cc(C(F)(F)F)n1 | C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCC(CNC(=O)c3ccccc3)CC2)C[C@H](C)O1 | 0.575693 |
Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4Cl)no3)C2=O)cc1 | C[C@@H](Cn1cccn1)C(=O)NCc1nccn1C | 0.37722 |
CN(C)S(=O)(=O)NCCCNC(=O)c1ccc(F)cc1 | Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C(=O)[C@@H]2C)cc1 | 0.299101 |
COC[C@@H](C)N1CCc2[nH]nc(-c3cccc4c3OC(F)(F)O4)c2C1 | O=C(Cc1cccs1)NCc1ccc(-n2cnc3ccccc32)nc1 | 0.591579 |
CC[C@](C)(NC(=O)/C=C/c1cnn(-c2ccccc2)c1)C(=O)OC | O=c1ccc(-c2ccco2)nn1CC1CCNCC1 | 0.384615 |
Nc1nc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n[nH]1 | CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)nn2c1O | 0.534958 |
Cc1c(Cl)cccc1NC(=O)CSc1nncn1-c1cccnc1 | Cc1cc(F)ccc1CNc1cnccn1 | 0.280749 |
CCCOCCN1CCN([C@@H](C)Cn2nc(C)cc2C)CC1 | Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O | 0.410047 |
COC(=O)CSc1nc2nccc(-c3cccnc3)n2n1 | C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)[nH]1 | 0.450176 |
Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCCCc3ccccc3)[C@@H]4C2=O)no1 | CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CCO1 | 0.614907 |
Cc1nnc(CNC(=O)C(=O)Nc2ccccc2Cl)o1 | Cc1cc(NC(=S)NC(=O)c2ccccc2Br)ccc1-c1ccc(CO)o1 | 0.400245 |
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccc[nH]3)CC2)cc1 | COC(=O)N[C@H](Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F | 0.464983 |
CN(C)C(=O)c1ccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 | Cc1cccc(NC(=O)Cn2cc(/C=N/Nc3ncccc3[N+](=O)[O-])c3ccccc32)c1 | 0.503226 |
CC(C)(C)NC(=O)N1CCC[C@H](Oc2ccncc2)C1 | CC(C)CN1C(=O)C2(CCN(Cc3cn(C)cn3)CC2)C[C@H]1Cc1cccc(F)c1 | 0.378344 |
CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F | COc1nc(Br)ccc1C(=O)O | 0.365314 |
C=CCOc1cccc(CN2CC[C@](CCC)(C(=O)O)[C@@H](O)C2)c1 | CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1O | 0.426564 |
COc1ccc([C@H](CC(=O)N2CCOCC2)NS(C)(=O)=O)cc1 | C/C(=N\Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O | 0.373924 |
COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 | NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)C2Cc3ccccc3C2)CCO1 | 0.518681 |
CCOc1ccc(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 | Cc1ccncc1C(=O)N1CCC[C@]2(CCNC2=O)CC1 | 0.379021 |
COc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c(OC)c1 | CN(CCCc1ccccc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O | 0.556769 |
C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 | CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cc(C)c(Cl)cc1OC | 0.391304 |
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 | CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cccc(-n2cccn2)c1 | 0.583158 |
Cc1cc(Cl)ccc1OCCCC(=O)NCCCN1CCOCC1 | C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1[C@H](C)NC(=O)c1ccco1 | 0.339002 |
CC(C)COc1ccc2c(c1)CCN(C(=O)[C@H]1CO1)C2 | CC(C)(N)c1ccc(Oc2ccccc2)cc1 | 0.287781 |
Cc1noc(C)c1CC(=O)Nc1ccc(Cl)c(Cl)c1 | COCCN(C(=O)NCC(F)(F)F)[C@H]1CCC[C@H]1C | 0.257143 |
C=CCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 | O=C(O)c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 | 0.515516 |
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2oc(C)nc2C)CN1C(=O)C1CC1 | O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1c[nH]nc1-c1cccnc1 | 0.535011 |
O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)N1CCCC1 | O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc(-c2ccc(Cl)cc2)no1 | 0.357224 |
Cc1nnc2n1CCN(C(=O)c1cc(C)n(C3CC3)c1C)C2 | Cn1c(SCCOc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 | 0.569926 |
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O | Cc1conc1NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 | 0.482916 |
CCOC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1CCC2 | C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N(CCc1ccccc1)Cc1ccccc1 | 0.494748 |
O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(NC2CC2)nc1 | Cn1cnnc1Sc1ccc(NC(=O)c2cnccn2)cc1Cl | 0.460993 |
O=C(Nc1nc2c(s1)CCCC2)[C@@H](c1ccccc1)n1cnnn1 | CSc1nsc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)n1 | 0.454647 |
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 | COc1cc(C)ccc1CN(C)C1CCC2(CC1)CNCc1ccccc1O2 | 0.436536 |
Cn1cnc2nc(-c3cccc(C#N)c3)ncc21 | CN(c1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O | 0.408019 |
COC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C | N#Cc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 | 0.383981 |
CCCn1cc(NCc2ccnn2C(F)F)cn1 | O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N(Cc1ccsc1)C1CC1 | 0.357977 |
COc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 | N#CCCN(Cc1cccnc1)C(=O)c1cccc(-n2cnnn2)c1 | 0.39239 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.