p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
C=CCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@H]2C(=O)OC | Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1 | 0.425253 |
CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 | Cc1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O | 0.403206 |
CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc4ccn(C)c4n3)C[C@H]21 | COc1ccc(Cl)cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 | 0.639958 |
COC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O | O=C(O)[C@H]1COCCN1CC(F)(F)F | 0.254565 |
c1ccc2c(c1)nnn2Cc1ccc(-c2nnc([C@@H]3CCCO3)o2)cc1 | O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1Cc1ccco1 | 0.427438 |
CCOC(=O)CSc1ccccc1CC | COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C | 0.276465 |
CC(=O)N1CCCN(C)CCN(C(=O)Cc2scnc2-c2ccc(Cl)cc2)Cc2ccccc21 | Cc1cccc(NC(=O)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)c1 | 0.496599 |
COCCNCCCCOc1ccc(C(C)C)c(C)c1 | CCCCNC(=O)c1ccccc1SC(C)C | 0.238182 |
O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1 | CCSCCN(C)[C@@H](C(=O)OC)c1cccc(O)c1 | 0.335396 |
CC(C)(C)C(=O)Nc1cc(CO)cnc1Br | CC(C)n1ncc(C(=O)Nc2ncccc2O)c1C(F)(F)F | 0.398345 |
COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccccc1 | CC1(C)NC(=O)N([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)C1=O | 0.461889 |
Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2N2CCCC2=O)c1 | COc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccc(C)cc3)oc2C)c1C | 0.489861 |
O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 | COC(=O)c1ccc(COc2ccccc2C(F)(F)F)o1 | 0.419244 |
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)[C@H]1CCCN(C(=O)c2ccoc2)C1 | c1ccc(Cn2ccnc2CNC[C@@H]2CCCN2c2cccnn2)cc1 | 0.48536 |
CCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cccnc2O)o1 | CC(C)c1nnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 | 0.818182 |
CCc1cc2n[nH]c(=O)n2c(-c2cccnc2)n1 | C=CCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3 | 0.637949 |
CC1(C)C(c2ccccc2)=NC(c2ccc(Br)cc2)=[N+]1[O-] | CCOc1cccc(-c2cn(-c3cccnc3F)nn2)c1 | 0.486309 |
CN1C(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2C1=O | O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cc(F)ccc1F | 0.571125 |
C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@@H]21 | CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cccn(C)c2=O)CC1 | 0.511706 |
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 | CC[C@@H](C)n1ncc(Br)c1COC(C)C | 0.429314 |
O=C1COC2(CCN(C(=O)c3ccoc3)CC2)CN1 | COc1ccc(OC)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)c1 | 0.410465 |
COC[C@@H](Nc1nc2ccccc2n2nnnc12)c1ccc(C)o1 | CCCCC1=NN(C(=O)c2ccncc2)[C@](O)(C(F)(F)F)C1 | 0.64657 |
CN(C[C@H]1CCC[C@@H]1O)c1ncc(C(F)(F)F)cc1Cl | Cn1c2c(c(=O)n(C)c1=O)CN(c1ccc3c(c1)OCCO3)CN2 | 0.524973 |
Cc1cc(-c2nc(CC(C)C)nn2-c2ccccn2)cc(S(N)(=O)=O)c1C | Cc1cc(=O)[nH]cc1NC(=O)COc1cc(Cl)ccc1Cl | 0.482869 |
Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(c4ncccn4)C3)n2)n1 | Cc1ncc(C(=O)NCc2ccc(Cl)cc2)cn1 | 0.277852 |
COc1cccc(OCCNC(=O)c2cccc(CN3CCOCC3)c2)c1 | C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 0.394937 |
N=c1[nH]c(=NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)[nH]c(=Nc2ccccc2)[nH]1 | Cc1ccc(F)cc1CC(=O)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 | 0.543264 |
CCc1ccc(OC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 | C[C@H](NC(=O)N[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1)c1ccccc1 | 0.547566 |
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C)(C)Cc3ccccc3)Oc3cc(C)ccc32)cc1 | Cc1ccsc1C(=O)N1C[C@H](C(=O)NC(C)C)C2(CCOCC2)C1 | 0.586708 |
Cc1cc(C)cc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 | Cc1ccccc1CN1CC[C@@H](CNC(=O)Cc2cccnc2)C1 | 0.357955 |
CO[C@H](C)c1noc(CN(C)Cc2cccc(C3CC3)c2)n1 | Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(=O)O)c2)cc(C)c1Cl | 0.382813 |
COc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C | Cc1c(CC(=O)NC2CC2)c2c(n1CCc1ccccc1)CCCC2=O | 0.657084 |
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@H]3O2)cc1Br | COc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)c(OC)c1 | 0.676531 |
CCOc1cc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cc(OCC)c1OCC | Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 | 0.492865 |
C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2C#N)C(=O)C1 | COc1ncccc1NC(=O)c1ccc[nH]c1=O | 0.464976 |
Cc1nc([C@@H](C)N(C)[C@@H](C)CNC(=O)c2cc(C(C)(C)C)n[nH]2)n[nH]1 | CC(=O)N1CCOC[C@]2(CN(Cc3ccncc3)CCO2)C1 | 0.38896 |
CCOc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C#N)cc2c1 | CCO[C@@H](C)CNC(=O)N1CC(Oc2c(C)cccc2C)C1 | 0.371692 |
Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc(F)c(Cl)c2)n1 | COc1cccc(Oc2ccc(NC(=O)c3oc(C)nc3C)cc2)c1 | 0.41452 |
CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 | N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 | 0.243935 |
CCC(CC)NC(=O)NCC(=O)Nc1ccc(Br)cc1C | Cn1nccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 | 0.326118 |
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 | COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2oc3cc(C)ccc3c2C)cc(OC)c1OC | 0.577706 |
Cc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 | CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 | 0.448119 |
COc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1NC(C)=O | COc1cccc(OC)c1-c1oc2cc3c(cc2c1-c1cc2c(cc1O)OCO2)OCO3 | 0.57295 |
CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c2ccccc2O1 | CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ncc(-c3ccccc3F)o2)C1 | 0.652308 |
COc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c2c1 | Cn1c(O)nc2ncc(-c3cccc(C(=O)N4C[C@H](CCN5CCCC5=O)c5ccccc54)c3)cc21 | 0.569672 |
CC(=O)NCc1ccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)s1 | COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3ccc(C#N)[nH]3)c2C)c1 | 0.5353 |
Nc1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 | CC(C)(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)cn1 | 0.518878 |
C[C@@H](C(=O)NCCCN1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O | O=C(c1cc(N2CCOCC2)c2nc3ccccc3c(=O)n2c1)c1ccccc1O | 0.561975 |
COc1cc(OC)cc([C@@H]2C[C@]2(CN)CO)c1 | CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NC(=O)COc3ccccc3)[C@H](O)[C@@H]2O)cc1 | 0.373641 |
NC(=O)c1cc(-n2cnnc2)c(Cl)cc1Cl | CN1CC(=O)c2[nH]c3ccccc3c2C1 | 0.416049 |
COc1ccc(CNC(=O)c2cccc(OC)c2OC)cc1OC | CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(F)c1 | 0.429598 |
Cc1c(S(C)(=O)=O)sc(N)c1C#N | CCN1CCC(CCNC(=O)CSC(C)(C)C)CC1 | 0.165625 |
Cc1c(-c2ccc(-n3cccn3)cc2)cnn1C(F)F | CC[C@H](C)Oc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C | 0.484677 |
COc1ncc(CN(CCCN(C)C)Cc2ccco2)cn1 | Nc1ncc2c(n1)CN(CC1(N3CCOCC3)CCCCC1)C2=O | 0.410737 |
Cn1cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 | COc1ccc(/C=C2\SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 | 0.538947 |
CCOc1cc(CN(C)Cc2cc[nH]n2)ccc1O[C@@H](C)CC | COc1ccccc1C(=O)N(c1ccc(C(C)C)cc1)[C@@H]1C=CS(=O)(=O)C1 | 0.416965 |
C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1cccs1 | c1ccc2c(CN3CCN(Cc4ccncc4)CC3)cccc2c1 | 0.290909 |
CC(=O)Nc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 | CN(C)S(=O)(=O)CCCn1cc(CCO)cn1 | 0.271028 |
C1=C[C@@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC1 | CC(C)(C)c1cc(C(=O)N2CCC(c3cnccn3)CC2)[nH]n1 | 0.37027 |
COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N(C)C2CCCCC2)c1 | COC[C@](C)(CNC(=O)C(=O)Nc1cccc(SC)c1)OC | 0.37851 |
CC(C)NCC1(COC2CCOCC2)CC1 | O=C(CN1CCc2[nH]c3ccccc3c(=O)c2C1)Nc1cccc(F)c1 | 0.18665 |
CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC | O=C(c1cccs1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1 | 0.663286 |
CCn1ccnc(N2CC(N3C[C@H](C(=O)NC)CC3=O)C2)c1=O | CCCCCCCNCc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 | 0.358191 |
CC(=O)Nc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 | O=C(CCSc1ccccc1)NC(=O)COC(=O)c1cccc2ccccc12 | 0.376923 |
O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cncc(Br)c1 | CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@H]3C4)c2C(N)=O)C1 | 0.659184 |
CC1([C@H]2C[C@](C)(Cn3ccc(=O)[nH]c3=O)OC2=O)OCCO1 | O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 | 0.570838 |
CCC12CN3CC(CC)(CN(C1)C3c1cn(C)c3ccccc13)C2=O | CC(C)c1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccccn1 | 0.619403 |
CCN(CCNC(=O)Cc1noc2ccccc12)C(=O)OC(C)(C)C | CCc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1 | 0.419434 |
COC(=O)c1ccccc1/N=C\c1ccc(O)c(I)c1 | COc1cc(CN(C(=O)c2ccccn2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C | 0.436571 |
OC[C@H](O)CN1CCN(c2nc3c(O)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 | CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Cl)c1OC(C)=O | 0.666333 |
C[C@@H]1CN(Cc2nnc3n(C)c(=O)c4sccc4n23)C[C@@](C)(C(F)F)O1 | CN(C)S(=O)(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 | 0.590909 |
CC(=O)c1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c1 | COc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@H](c3ccco3)C2)c1 | 0.548387 |
CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 | O=C(O)c1cc(-c2ccccc2O)nc2cc(Br)ccc12 | 0.604913 |
Cc1c(C(=O)N2CCO[C@@H](c3ccccc3F)C2)nnn1C1CCNCC1 | C[C@H]1CN(C(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C[C@H](C)O1 | 0.4662 |
Cc1nc2ccc(F)cc2c(=O)n1CCN | COc1ccc(NC(=O)c2ccc(Br)o2)cc1N | 0.34717 |
O=C(NCc1cccc(O)c1)N1CCO[C@@]2(CCCOC2)C1 | CC(C)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 | 0.422836 |
Cc1ncsc1-c1ccc(CNC(=O)[C@]2(C)CCC(=O)NC2)cc1 | Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C(=O)c2c[nH]c3ccccc23)n1 | 0.532575 |
O=C(NCc1cccc(F)c1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 | CCCCc1ccc2nc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)sc2c1 | 0.623142 |
CC[C@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 | CCO[C@H](c1ccccc1)c1nc2ccccc2n1CC | 0.415991 |
Cc1cccc(N2CCN(CCNC(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1 | Cc1ccc(-c2nnc(S)n2/N=C/c2ccccc2C(=O)O)cc1 | 0.497763 |
COc1ccc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1N1C(=O)CCC1=O | CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 | 0.642636 |
CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1ccco1 | CCOC(=O)CN1CCC(OCc2ccccc2)CC1 | 0.286445 |
CCCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 | Cc1ccnc(N2CCN(c3ccccc3F)CC2)n1 | 0.292758 |
Cc1nn(CC(F)F)cc1C(=O)NS(=O)(=O)C[C@H]1CCCO1 | CN(CCOc1ccc(F)cc1)CC1(C)COC1 | 0.231707 |
COc1c(C)cccc1C(=O)Nc1nc(-c2ccccc2)cs1 | O=C(N1CCN(c2cc(C(F)(F)F)ncn2)CC1)C1(c2ccc(F)cc2)CC1 | 0.496081 |
Cc1ccc(-n2c(C)nnc2SCC(=O)NCc2nnc3ccccn23)cc1 | Cc1nn([C@H](C)C(N)=O)c(=O)c2cc3ccsc3n12 | 0.634121 |
COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NC(C)C)C2 | O=C(CC1=CCCCC1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 | 0.565875 |
Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](N2C(=O)CNC2=O)C1 | Cc1ccccc1CC(=O)Nc1cn(C)cc(Br)c1=O | 0.468856 |
Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c1C | Brc1cncc(CN[C@@H]2CCCN(c3cccnn3)C2)c1 | 0.483146 |
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2C1=C1CCCCC1 | O=C(NC1CCC(O)CC1)N1CCCC[C@H]1C1OCCO1 | 0.366106 |
Cc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3)n2C)cnc1Cl | COc1ccc(C(=O)COC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1OC | 0.508251 |
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)o1 | COCCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1 | 0.355721 |
Cc1cc(C)n(Cc2cccc(C(=O)Nc3ncc(Cl)cc3Cl)c2)n1 | CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S | 0.530905 |
O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)S1 | Cn1ncc2c(SCC(=O)N3CCN(CCOc4ccccc4)CC3)ncnc21 | 0.376884 |
CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1 | O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN12)NC1CC1 | 0.510511 |
c1cnc2cc(-c3ncnn3C3CCCCC3)nn2c1 | O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccncc1 | 0.416667 |
CC(C)Cc1noc([C@@H]2CCCN(Cc3nc(C(=O)O)co3)C2)n1 | Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)ccc12 | 0.645228 |
Cc1ccc(S(=O)(=O)NCC/N=[N+](/O)C(C)(C)[N+](=O)[O-])cc1 | CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 | 0.426854 |
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 | Cc1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] | 0.496614 |
CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | Cc1nnc([C@H]2COCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)o1 | 0.347458 |