p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
Cc1occc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12 | O=C(CC1CCCC1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 | 0.491839 |
CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC | Cc1nc([C@H]2CCCN(c3ncccn3)C2)cc(N2CCCC2)n1 | 0.512387 |
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1C[C@H]2CC[C@H]1CN2 | COC(=O)C1=CN(Cc2ccccc2)C(=O)C[C@H]1c1ccccc1 | 0.432783 |
CN(Cc1cccs1)C(=O)c1ccc(CN2CCCCC2)cc1 | CCCCSc1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 | 0.34097 |
CCc1cccc(CC)c1NC(=O)C(=O)NCCC(C)C | CC(C)c1c(NCc2nnnn2C)cnn1-c1ccccc1Cl | 0.372315 |
COC(=O)[C@@H](C)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 | O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 | 0.407701 |
CC(C)(C)C(=O)NCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)s1 | CC(C)c1nc(CC(=O)N[C@H](C)c2cccnc2)cs1 | 0.471744 |
CCOC(=O)c1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1 | O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc2c(c1)OCO2 | 0.628688 |
O=C(N[C@@H]1CCCc2ccccc21)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 | O=C(NC1CC1)c1ccc(-c2noc(-c3ccsc3)n2)cc1 | 0.458283 |
Cc1ccc(F)c(C(=O)N2CC[C@](C)(O)[C@H](C)C2)c1F | Cc1cc(-c2cc([C@@H]3CCCN3C)ccn2)[nH]n1 | 0.4178 |
Oc1nccc2cc(-c3cccc(Cn4cccn4)c3)ccc12 | CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)C1 | 0.419126 |
Cc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C | CCc1cc2c(N3CCC(=O)N(C)CC3)ncnc2s1 | 0.623037 |
CCN(CC)CCN(C)C(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 | Cc1ccc2c(CC(=O)N[C@H]3CCc4nccn4C3)coc2c1C | 0.379673 |
Cc1ccsc1CCNC(=O)[C@H]1CC(=O)OC12CCCC2 | Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1[N+](=O)[O-] | 0.501643 |
CCOc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c(OCC)c1 | CC(=O)Nc1cc(NC(=O)[C@H]2CC=CCC2)ccc1F | 0.32967 |
Cn1cc(C(=O)Oc2ccc(C#N)cc2)c(C(F)(F)F)n1 | CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NC[C@H]4CCCO4)cn23)C1 | 0.492013 |
CC(C)Sc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 | Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)co1 | 0.446281 |
COc1nc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] | O=C(NC1CCCCC1)N1CC[C@]2(O)CCN(c3ncccn3)C[C@@H]2C1 | 0.300265 |
CCn1ncc(CNC(=O)[C@@H]2CNCC23CCCCC3)n1 | Cn1[nH]c(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)nc1=O | 0.400488 |
Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1cccc(F)c1 | CCN(CC)CCN(CC)Cc1ccccc1C(F)(F)F | 0.348112 |
COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 | COc1ccc(-c2noc([C@H]3CC(=O)N(Cc4ccco4)C3)n2)cn1 | 0.494505 |
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](O)C(C)(C)O | COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 | 0.485277 |
C=C(C)CNC(=S)N/N=C1\C(=O)N(C)c2ccccc21 | O=C(Nc1c[nH]ccc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 0.391095 |
CCOc1cc(C(=O)OC)ccc1OCc1ccccc1C | O=[N+]([O-])c1ccc(N/N=C/c2ccc(Br)o2)cc1 | 0.242038 |
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 | COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)c1 | 0.524089 |
O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCNC1 | O=C([C@H]1CO1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 | 0.367901 |
O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@@H](c2ncon2)C1 | O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | 0.417544 |
O=C(NCc1cccn2nccc12)c1cn(-c2ccccc2)nn1 | COc1ccc(CC[C@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)cc1 | 0.457303 |
Cc1nc(=O)c2c([nH]1)[C@]1(C)CCCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]1CC2 | Cc1c(CCC(=O)N2CC[C@H](Oc3cccnc3)[C@@H](O)CC2)cnn1C | 0.556962 |
C=CC(=O)N[C@H]1COc2c(C)cccc2C1 | CCCCc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 | 0.440244 |
COc1ccccc1C(=O)Nc1cccc(C(C)=O)c1 | Cc1cccc([C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C(F)(F)F)c1 | 0.414482 |
Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n[nH]1 | O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C2 | 0.422886 |
COc1ccc(OC)c(-c2cc(C(=O)O)c3ccccc3n2)c1 | O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc(OCc2cccnc2)cc1 | 0.435583 |
COCc1noc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3n2)n1 | C[C@H](C1CC1)N(CCC#N)C(=O)Cc1cccnc1 | 0.363741 |
CCN1C[C@@H](CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1=O | CCC1=NO[C@H](CNc2nc(C)nc3sccc23)C1 | 0.442604 |
O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CC(O)(c2ccc(F)cc2)C1 | O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1ccc(Oc2ccccc2)cc1 | 0.480935 |
Cc1ccc(Oc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)cc1 | COc1cccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 | 0.448 |
Cc1csc(CCNC(=O)N2CCC([C@@H](O)c3cccs3)CC2)n1 | O=C(Nc1nc2ccccc2s1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 | 0.508621 |
Cc1nn(CC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c(C)c1Br | Cc1ccc2cccc(C(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)c2n1 | 0.51573 |
C[C@@H](Nc1ccc(F)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 | Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccccc3)c2n1 | 0.469762 |
Cc1ccc(-c2noc([C@@](C)(N)Cc3ccccc3)n2)nn1 | COc1cccc(-c2nc(CN[C@H](C)[C@@H]3CCCO3)cs2)c1 | 0.46509 |
COc1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c1 | COc1cc(OC)cc(-c2nnc(S)n2-c2ccc(Cl)cc2)c1 | 0.470917 |
Cc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCCN3C3CCOCC3)CC2)cc1 | COc1ccc(CN(C)Cc2cccs2)cc1OC[C@@H](O)CN1CCN(C)CC1 | 0.491686 |
Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)S(C)(=O)=O)c1 | NC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 | 0.41457 |
O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccco1 | CCN(CCNC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1cccc(C)c1 | 0.534834 |
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(I)cc1 | Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)c2ccccc21 | 0.454945 |
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)s1 | O=c1/c(=C/c2cc(Br)cs2)sc2nc3ccccc3n12 | 0.581096 |
Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCCC1 | O=C(Nc1ccccc1Br)C1=C(c2ccccc2)S(=O)(=O)CCO1 | 0.387022 |
O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)c1ccccc1 | COc1ccc(C(=O)Nc2cc3c(=Nc4ccccc4)ncnc-3[nH]c2O)cc1 | 0.687629 |
CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1 | COc1ccc(C(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)cn1 | 0.432778 |
NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)c2ccccc21 | Cc1nnc(NC(=O)CN2CCN(CCn3ccnc3-c3ccccc3)CC2)s1 | 0.503712 |
COc1ccc([C@@H](C(N)=O)N2CCOCC2)cc1 | CCCCSC1=Nc2c(cnn2-c2cccc(C)c2)C2=NCCCN12 | 0.402477 |
CC(=O)N(C[C@H]1CCCN1CCN)C1CC1 | COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1nccn1C | 0.250649 |
O=C1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)CCN1 | COCCN(Cc1ccc2nonc2c1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 | 0.465143 |
Cc1cnnn1Cc1nnc2n1CCCN(C(=O)c1csnn1)C2 | COc1ccc(CNC(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1OC | 0.604797 |
CCOC(=O)N[C@](Nc1ccc(F)c(F)c1)(C(=O)OCC)C(F)(F)F | Cc1nccn1CC1(CNC(=O)c2cccc(-c3nccs3)c2)CC1 | 0.493785 |
COc1ccccc1CNc1nc2[nH]c(C)cc(=O)n2n1 | N#CCCSc1sc(=S)sc1SCCC#N | 0.226858 |
Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(F)cc2)cc1 | Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 | 0.497207 |
CC(C)C1(C(=O)N2CC[C@]3(C2)c2ncn(C)c2CCN3C(=O)[C@H]2CC2(C)C)CC1 | O=[P@]1(Cc2ccccc2)CCC(O)=C1c1ccccc1 | 0.564155 |
Fc1cc(Br)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 | CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C | 0.548626 |
Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc(C#N)cc1F)CC2 | COCCc1cc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)n(C)n1 | 0.646624 |
COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 | C[C@H]1[C@H]2C[C@H](C[C@H]1OC(=O)CCn1ccnn1)C2(C)C | 0.271067 |
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccco3)CC2)c(C)c1 | CCN(C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 | 0.496629 |
C[C@@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)n1nc2ccccc2n1 | O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc(OC(F)F)c(Cl)c1 | 0.677518 |
Cc1cnc(-n2cnnc2)c(-c2cnn(C)c2)c1 | Cc1cc(C)nc(N2CCC(CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC2)n1 | 0.426844 |
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1-c1ccc(Cl)cc1 | CC1=C(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)OCCO1 | 0.54699 |
COc1ccc(F)cc1CN1CCN(C(=O)N[C@H](C)c2nnnn2C)CC1 | CCC[C@@](C)(O)c1cc(OC)ccc1OC | 0.392487 |
Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | O=S(=O)(c1cccs1)N1CCS[C@H](c2cccs2)CC1 | 0.548523 |
COc1ccc(CNC(=O)C(=O)Nc2cnc3ccccc3c2)cc1 | Cn1c(SCc2cccc3ccccc23)nnc1-c1cnccn1 | 0.417767 |
O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4cccc(-c5ccccc5)c4)ccc3C2=O)C(=O)N1 | CC(C)[C@H]1OCC[C@@H]1CNCc1cccc2cn[nH]c12 | 0.454756 |
COC(=O)c1ccc(CNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 | COC[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CC(C)(C)O1 | 0.474614 |
COCCn1c(C(=O)N2CCN(Cc3cccnc3)C[C@H]2C)cc2ccccc21 | CCN/C(=N\c1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O | 0.560976 |
C[C@H]1CN(c2ccncc2)CCN1Cc1cn2cc(Br)ccc2n1 | CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O | 0.540512 |
CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)c([N+](=O)[O-])c1 | COCCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 | 0.625127 |
CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C | CN(Cc1ncccn1)c1ncnc(C(F)(F)F)c1Br | 0.299595 |
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1cn(C)c2ccccc12 | CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/CCCCCCC(=O)OC | 0.681 |
O=C1CCC(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)=NN1 | CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)C2 | 0.511752 |
C[C@](O)(CNC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F | C=CCn1cnnc1SCc1occc1C(=O)OCC | 0.375912 |
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(C)o3)C2=O)cc1OC | CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1cc(=O)nc2sccn12 | 0.590576 |
Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)n2)c1 | COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(C(=O)Cc1ccccc1F)CC2 | 0.617978 |
Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 | COc1cccc(CNC(=O)C2CCC2)c1OC1CCCC1 | 0.39823 |
CCc1nc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cs1 | Cc1ccc(Cl)cc1N1CCN([C@H](CC(C)C)c2nnnn2C(C)C)CC1 | 0.404848 |
O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 | Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 | 0.559613 |
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O)C(C)C | CCNC(=O)[C@H](C)NC(=O)c1cn(CCOC)c2ccccc12 | 0.456119 |
C[C@H](CCc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([C@@H](C)O)C1 | COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cn1 | 0.343407 |
O=C1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc2N1 | COC(=O)c1cc(O)c2cccc(C(F)(F)F)c2n1 | 0.53587 |
N#Cc1cccc(C(=O)CCc2ccc(F)cc2)c1 | Cc1ccc(CNC(=O)c2c(NC(=O)CCCC(=O)O)sc3c2CC[C@H](C)C3)cc1 | 0.281674 |
COC(=O)c1cn([C@H]2CCCN(c3nnnn3C[C@@H](OC(C)C)c3ccccc3OC)C2)nn1 | NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 | 0.571281 |
O=c1c2ccccc2n(CCN2CCCCC2)c(=O)n1CCO | COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c(OC)c1 | 0.602497 |
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCCCCC2)C1=O | CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 | 0.508715 |
c1cn(-c2ccc3c(c2)COC3)c([C@@H]2CCCCO2)n1 | O=C1CN(CC(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)C(=O)N1 | 0.502227 |
Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCC2(Cn3ccnc3C)CC2)n1 | CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 | 0.506579 |
C[C@H]1c2ccccc2N(S(=O)(=O)c2c[nH]nc2Cl)[C@H]1C | Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCCOc2cccnc2)cc1 | 0.508547 |
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 | CN(CCS(C)(=O)=O)[C@@H](CCO)c1ccccc1 | 0.333333 |
CCOc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC(C)C | COc1ccc(N(C#N)CCCNC(C)=O)cc1Cl | 0.345455 |
COc1cc(C)ccc1OCCN1CC[C@H](O)[C@@](CC2CC2)(C(=O)O)C1 | CCC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O)C(=O)O | 0.531453 |
CCC1=NN(C(=O)c2ccccc2Br)[C@](O)(c2ccc(Br)cc2)C1 | CC(C)Oc1cncc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1 | 0.521505 |
COc1ccc(NC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cn1 | O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2nccn2CC2CC2)C1 | 0.502237 |
CCc1ocnc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 | O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 | 0.491409 |
COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)C(=O)N2C)cc1 | O=C(/C=C/c1ccc2c(c1)OCO2)C(C(=O)c1ccccc1)=C1SCCS1 | 0.493088 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.