p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
CCN(c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O | CCc1nc(C)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 | 0.390898 |
Cc1sc(=O)n(C/C(O)=N/C2CCN(c3nccn3C)CC2)c1C | Cc1nc(C)c(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)s1 | 0.507395 |
COc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCOCC1 | O=C(Nc1nnc(SCc2ccccc2)s1)C1CCN(Cc2ccccc2)CC1 | 0.471947 |
COc1ccccc1CNC(=O)N[C@H](C)COCC(F)(F)F | Cc1[nH]ncc1CCCNC(=O)Nc1ccc(N2CCCC2)nc1 | 0.307246 |
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 | O=C(CCc1cccc(F)c1)NCCCc1cccnc1 | 0.283837 |
N#CC(C#N)=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 | CCCn1c(C#N)cc(N)c1N1CCN(c2ccccc2)CC1 | 0.598101 |
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C | Cc1ccccc1-n1c(S[C@H]2CCCCC2=O)nnc1-c1cccnc1 | 0.702454 |
C=CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)NC1=S | COc1c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)nn1C | 0.531111 |
COc1ccc(C[C@@H]2S/C(=N/N=C/c3c[nH]c4ccccc34)NC2=O)cc1 | O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)Nc1nccs1 | 0.473047 |
O=C(NCCN1CCCOC1=O)c1ccc(CN2CCCC2)cc1 | CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 | 0.367008 |
COCC[S@@](=O)Cc1cccc(NC(=O)CC(C)(C)C)c1 | COc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1 | 0.338308 |
CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1 | Nc1cc(-c2ccc(F)cc2)ccc1F | 0.197031 |
COc1cccc(O)c1CN1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 | O=C(NCCOc1ccc(F)cc1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 | 0.505096 |
Cc1cc(C)n(CCCC(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)n1 | Cc1cn[nH]c1C1(C)CCN(C(=O)c2cc[nH]n2)CC1 | 0.407407 |
C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(N)=O | CCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 | 0.315995 |
CC(C)[C@@]1(C)C[C@@H]1N=c1[nH]n2cc(-c3cccnc3)nc2s1 | O=C(NCc1cn(-c2ccncc2)nn1)c1ccc2c(c1)OCO2 | 0.514029 |
CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC | NC(=O)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl | 0.427923 |
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Cl)c1Cl | CC1=NS(=O)(=O)NC(C)=C1CC(=O)Nc1cccc(CO)c1 | 0.414815 |
CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 | COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c1 | 0.37193 |
Nc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cnn1-c1ccccn1 | O=C(NC1CN(c2ccncc2)C1)c1ccc(=O)n(-c2ccccc2)n1 | 0.585903 |
Cn1nc(C(=O)NCCN2CCCCCC2)c2ccccc2c1=O | COc1ccccc1[C@H](C)N(C)Cc1csc([C@H](C)OC)n1 | 0.460586 |
C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 | Cc1cnccc1O[C@@H]1CCN(c2ncc(Br)cc2Cl)C1 | 0.578785 |
O=C1CC[C@@H](C(=O)NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C1 | CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccccc1 | 0.552207 |
CCOC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 | Cc1c(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C2CCCCC2)C3)cnn1C | 0.410695 |
CO[C@H]1C[C@H](C(=O)O)CN(c2nc(Cl)nc3c2CCCC3(C)C)C1 | COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1F | 0.530655 |
NC(=S)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 | Cc1ccc(CONC(=O)c2ccc(Cl)cc2)cc1 | 0.244613 |
CC(C)n1ncc2cc(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)cnc21 | Cc1nccn1Cc1ccccc1NC(=O)c1ccc(N(C)C)nc1 | 0.545254 |
CCOC(=O)COc1ccc2c(=O)c(-c3sc(C)nc3C)coc2c1 | Cc1ccc(C(=O)Nc2ccc(I)cc2F)c(Cl)c1 | 0.417877 |
C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1C[C@@H]2C[C@H]2C1 | COc1cccc(CN2C[C@H](C(=O)NCCCSC)CCC2=O)c1 | 0.475177 |
O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CCN(Cc4ccc(F)c(F)c4)CC3)ccc2o1 | OCc1ccc(-c2ccc(-c3cccs3)o2)s1 | 0.391954 |
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccccn1 | Cc1cc(Br)cc(C(=O)N2CCC[C@H](n3ccnn3)C2)c1 | 0.478824 |
CC(C)(C)C1CC(C(=O)NCc2csc(O)n2)C1 | C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(F)c1 | 0.28343 |
CCOC(=O)C(C)(C)Sc1ccc(Br)cc1 | Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](C)[C@@H](C)C1 | 0.209591 |
Cn1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)c1 | Cn1ncc2c(N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)ncnc21 | 0.575594 |
COC(=O)c1ccc(CN(C)C(=O)NCc2ccc3c(c2)OCCO3)cc1 | COc1ccc(NC(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1OC | 0.454746 |
CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 | O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCc1cccs1 | 0.324284 |
CCC(=O)N(CCO)[C@@]1(C)CCS(=O)(=O)C1 | Cc1nn(CC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)c1Cl | 0.407703 |
CC1CN(C(=O)[C@H](NC(=O)c2cc(Cl)ccc2Cl)[C@@H](C)O)C1 | CC(C)(C)CC[C@H](Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C(N)=O | 0.468599 |
COc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)(c2ccccc2)CC1 | C[C@@]1(O)CCN(C(=O)c2cnc3ccccc3c2)C[C@@H]1Cc1ccccc1 | 0.573465 |
CC(C)Oc1ccc(C(=O)O)cc1NC(=O)Cc1ccccc1C(=O)O | CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Oc4ccc(OC)cc4)CC3)C2=O)cc1 | 0.506173 |
O=C1CCN(C(=O)c2ccccc2)[C@@H]2CCCC[C@H]12 | Cc1nc(NC(=O)CSc2nnnn2C2CCCC2)sc1C | 0.372796 |
C[C@@H](NC(=O)N1[C@@H]2CC[C@@H]1C=C(c1ccccc1)C2)c1noc(-c2ccccc2)n1 | COc1cc(-c2nc(COc3ccc(Cl)cc3)n[nH]2)ccc1O | 0.477074 |
CC(=O)NCC(=O)N[C@]1(C)CCOC2(CCN(c3cnccn3)CC2)[C@H]1O | COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3cnc4ccccc4c3)C2)c1 | 0.565171 |
CCOc1cc(C(=O)O)cc(I)c1OCc1cccc(C)c1 | NC(=O)c1ccc(Br)nc1Br | 0.268589 |
CCCN1C(=O)/C(=C\c2cc(I)c(O)c(OCC)c2)SC1=S | CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 | 0.521338 |
CCOC(=O)[C@@H]1C[N@@]1Cc1cccnc1 | Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)CN2C)cc1 | 0.371622 |
CCc1cnccc1-c1noc([C@]2(C)CCCNC2=O)n1 | COc1cc2c(Cl)ncnc2cc1F | 0.408989 |
N[C@H](Cc1cccc(F)c1)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 | CC(=O)OC(C)(C)C(=O)NCC1CCN(C2CCSCC2)CC1 | 0.326266 |
O=C(NCCCC(=O)N1CCc2ccccc2C1)c1ccoc1 | Cc1ccc(C(=O)O)c(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1 | 0.467963 |
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cccc(Cl)c2OC(F)F)CC1=O | CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)n2C)CC1 | 0.448661 |
CCCNCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 | O=C(c1cccc2[nH]ncc12)N1CCN([C@H]2CCC[C@@H]2O)CC1 | 0.408537 |
CC1=C[C@@H]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC2=C1C(=O)N(c1ccccc1)C2=O | CC1(C)OB(CC(=O)c2ccc(F)cc2)OC1(C)C | 0.343057 |
COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3CO)cc2)cc1OC | CNc1nc(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)cs1 | 0.484048 |
CO[C@H](CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1C | CC[C@H](C(=O)NCC1(CN2CCOCC2)CC1)n1cccc1 | 0.320261 |
Cc1noc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 | C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cnc(C)cn1)C2 | 0.5189 |
O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)o1)c1c(F)cccc1F | CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C | 0.628688 |
CCCCCOc1ccccc1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O | NC(=O)OCCc1c2ccccc2nc2ccccc12 | 0.315202 |
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc2ccccc12 | COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1F | 0.309019 |
O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl | O=C(NCc1c(C(=O)O)oc2ccccc12)c1cnn(C2CCC2)c1 | 0.541623 |
COc1cccc(SCC(=O)N2CCC[C@@H]2c2cccn2C)c1 | O/N=C1/CCCCCC[C@H]1N1CCCCC1 | 0.229508 |
C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 | O=C(c1cnc[nH]1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 | 0.433869 |
Cc1ccccc1[C@H](NC(=O)c1ccccc1F)c1ccccc1 | CCOC(=O)N1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 | 0.36398 |
Cc1ccc2[nH]c(=O)c(CN3CCN(Cc4cccc(O)c4)CC3)cc2c1 | NC(=O)[C@@H]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)c2)C1 | 0.369165 |
O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1COc2ccccc2C1 | Cc1ccccc1N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O | 0.440594 |
CCOc1ccc(N([C@H](CC)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 | N/C(=N\C1CC1)NCCc1cccs1 | 0.23268 |
CCn1cc(C(=O)Nc2cc(C)ccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 | COc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 | 0.623491 |
Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)o1 | COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C1 | 0.628661 |
NC(=O)NCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 | Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(OC(F)(F)F)c1 | 0.369136 |
CCN(CC)C(=O)C1CCN(C[C@H]2CO2)CC1 | C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Cl | 0.245665 |
C[C@H](SCc1nc(N)nc(N)n1)c1ccc(OC(F)(F)F)cc1 | Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1C(C)C | 0.380137 |
Cc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2)c1 | CN1C(=O)C[C@H](C(=O)NCc2ccc(C(=O)O)o2)[C@@H]1c1cccs1 | 0.676737 |
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 | CC1CC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C1 | 0.582899 |
Cc1cc(=O)[nH]c(NCCNC(=O)CCc2scnc2C)n1 | Cc1cc2nc(-c3ccc(N)cc3Cl)oc2cc1C | 0.39576 |
CC(=O)NCCc1ccc(C(=O)CSc2nncn2C2CC2)s1 | COc1ccc(CN2CCN(Cc3cccc4cnccc34)C[C@@H]2CCO)c(F)c1 | 0.412621 |
CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 | COc1ccccc1N1CCN(C(=O)CCCc2nnc3ccccn23)CC1 | 0.553055 |
CCOc1cc(/C=C2\Sc3nnc(C(F)F)n3N=C2C)c(Br)cc1OC(C)=O | Cc1n[nH]c(C)c1CCCN1CCC[C@@H](N)C1 | 0.285554 |
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl | COc1cccc(O[C@@H](C)CNS(=O)(=O)N2CCC(C(=O)O)CC2)c1 | 0.346457 |
O[C@@H]1CN[C@H](c2nc3cnccc3[nH]2)C1 | COC(=O)CSc1sc(C(=O)OC)c2c1/C(=N/O)CCC2 | 0.416756 |
C/N=C1/S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1C | CSc1cccc(/N=C(\O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c1 | 0.556645 |
C[C@H](NC(=O)CSC(=S)N(C)C)C12CC3CC(CC(C3)C1)C2 | COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C(=O)O)ccc1C | 0.259162 |
CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1 | CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 | 0.554011 |
O=C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H](O)[C@H](O)CO | Cn1ccnc1[C@H]1CCCN1C(=O)c1cccc(CC(=O)O)c1 | 0.312195 |
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC(C)CC1)C2=O | CS(=O)(=O)N1CCCN(c2ccccn2)CC1 | 0.347712 |
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccs1 | COc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1F | 0.519331 |
CCN1C[C@@]2(C[C@@H](O)[C@H](Nc3nc(C)cc(C#N)n3)C2)[C@H]1C(C)C | CCCOC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 | 0.564894 |
CCn1ncc(C(=O)N2C[C@@H](F)C[C@H]2C(F)(F)F)c1C | COc1cc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)ccc1O | 0.444444 |
C[C@@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1ccoc1 | CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc3[nH]cnc3c2)cc1 | 0.387856 |
Cc1noc([C@@H]2CCN(CC(=O)NCc3ccccc3C)C2)n1 | O=C(c1ccccc1)c1ccc(Oc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])c1 | 0.432273 |
COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 | O=S(=O)(c1ccccc1C(F)(F)F)N1CCCN(c2ccc3nncn3n2)CC1 | 0.536717 |
CCCn1cc(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)cn1 | CCC(=O)NCCNC(=O)c1ccc(C)nc1 | 0.328467 |
CN(C)c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 | c1cc(CCN2CCO[C@H](Cn3cncn3)C2)ccn1 | 0.324921 |
COCCn1nc(-c2ccc(C)o2)nc1[C@H]1CC[C@H]2OCCN[C@@H]2C1 | CO[C@H](C)c1nc(CN2CCCN([C@@H](C)C(=O)N3CCCCCC3)CC2)cs1 | 0.533981 |
C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 | N#CN1C[C@@H](C(=O)N2CCCCC2)C=C2c3cccc4[nH]cc(c34)C[C@@H]21 | 0.518597 |
Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cc5ccccc5oc4=O)CC3)C2=O)cc1 | C#CCN(C)C(=O)c1ccc(NCc2sccc2C)cc1 | 0.435868 |
O=C(N[C@H](CO)c1cc(F)ccc1F)c1cc2ccccc2c(O)n1 | CC(C)c1nc(CN2CCN(C[C@@H]3CCCO3)CC2)cs1 | 0.402424 |
Cc1cncc(C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 | Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3ccc4c(c3)OCO4)c12 | 0.607555 |
COc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)O)N2)C1 | NC(=O)COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 | 0.361528 |
Cc1nc2sc3c(c2c(=O)n1/N=C/N(C)C)CC[C@H](C(C)(C)C)C3 | CCn1c2ccccc2c2cc(-n3c(SCC(N)=O)nc4ccccc4c3=O)ccc21 | 0.683519 |
Cc1ccccc1CC(=O)N1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 | CCN(CCNC(=S)Nc1c(F)cccc1F)c1ccc(C)cc1 | 0.364136 |
N#Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)cc1 | Cc1ccccc1C(=O)N1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 | 0.385986 |
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