p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
OC[C@H]1C=C[C@@H](N[C@@H]2CCCOc3c(Br)cccc32)C1 | Cc1cc(CN2CCN([C@H](C)C(=O)Nc3nccs3)CC2)on1 | 0.416076 |
C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccnc1 | Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br | 0.35823 |
C=CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cccc(OCC)c21 | O=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(F)c(Cl)c1 | 0.534103 |
COc1ccccc1CCNC(=O)Nc1cnccc1C | CCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O | 0.417735 |
O=C(N[C@]1(C(=O)O)CCSC1)c1ccc2cc[nH]c2c1 | Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 | 0.50494 |
Cc1cc(F)ccc1-n1ccc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 | N#Cc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 | 0.519914 |
O=C(Cc1csc(N2CCNC2=O)n1)Oc1ccc(Cl)c2ccccc12 | COCCOc1cccc(C(=O)NCc2nnc(O)n2C2CC2)c1 | 0.486696 |
C=CCn1c(S[C@H](C)C(=O)c2ccc(OCC)cc2)nc2ccc(Cl)cc2c1=O | Cc1ccc(NCc2ccccc2O)cc1C | 0.284024 |
COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 | CN(C)C1CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 | 0.428571 |
CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1=O | NC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)CC1 | 0.497207 |
CCOc1ccc(CC(=O)N2CCC[C@@H](Cn3nc(-c4cccs4)ccc3=O)C2)cc1 | COc1cc(N2CCCC2)c(OC)cc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 | 0.674227 |
COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C | Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(CC(N)=O)cs2)cc1 | 0.540066 |
Cn1cc(N2CC[C@H](Sc3nnnn3CC(F)(F)F)C2=O)cn1 | CC1=NO[C@@H](C(=O)N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)C1 | 0.465143 |
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1O | Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1F | 0.369004 |
CO[C@]1(C(F)(F)F)CCCN(c2nc(N)c3cnn(C(C)(C)C)c3n2)C1 | O=C(c1cccc(F)c1)c1ccccc1CN1CCC1 | 0.375415 |
Cc1cccc(C)c1NC(=O)N(CCO)C1CC1 | C[C@@H](NC(=O)CNC(=O)c1ccoc1)c1ccc(F)cc1 | 0.293076 |
Cc1ccc(/N=C/c2cc(C)ccc2O)c(O)c1 | CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Cl)cc1F | 0.307229 |
Cc1csc(N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)n1 | O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2C(=O)CCC2=O)cc1 | 0.589689 |
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O | COc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)cc1 | 0.5625 |
COc1ccc(CCNC(=O)CN2CCN(c3ccnc(C)c3)CC2)cc1 | Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 | 0.440544 |
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl | COc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1 | 0.495093 |
COc1ccc(Cl)c2c1ncc1c(O)n[nH]c12 | CC(C)[C@H](c1ccccc1)N1CCC(N2CCO[C@H](C)C2)CC1 | 0.319497 |
C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCn2c(nnc2C2CC2)C1 | C[C@H](Cc1cccs1)C(=O)N1CCC(Nc2cccnc2)CC1 | 0.417808 |
CCCCOc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1 | Cn1cc(-c2ccc(Br)cc2)c(N)n1 | 0.343057 |
Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2Br)cc1 | COc1ccc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 | 0.367568 |
COc1ccc(CCN(C)Cc2cc(Br)cs2)cc1OC | O=C(Nc1ccccc1-n1cncn1)c1ccncc1 | 0.329317 |
COc1cccc(NC(=O)CN2CCC(Oc3nccs3)CC2)c1 | COc1ccc(C)cc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O | 0.475186 |
CC[C@H](c1ccccc1)c1nnc(NC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)s1 | CC(C)(C)OC(=O)N1CC[C@@](C)(CN)[C@@H](F)C1 | 0.338095 |
Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 | O=C1CCc2cc(C(=O)COC(=O)c3sccc3C3CC3)c(F)cc2N1 | 0.348946 |
CCn1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 | C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)cs2)C1 | 0.463584 |
Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2CC=CCC2)cn1 | CN1C(=O)C[C@](CC(=O)N2CCCN(Cc3cccs3)CC2)(c2ccccc2F)C1=O | 0.558398 |
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C#N)cc1 | CC(=O)NC1CCC(NCCc2ccco2)CC1 | 0.255773 |
CO[C@@H]1CCCCN(CC(=O)Nc2cccnc2N(C)C)C1=O | COc1cc2c(cc1OC)[C@H](C(=O)O)C2 | 0.37594 |
Cc1ccc(NC(=O)[C@@H](C)NC(=O)CN2CCOC2=O)c(F)c1 | O=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1C(F)(F)F | 0.402359 |
C[C@H](CNC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1F | COC(=O)Nc1ccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1 | 0.37112 |
COc1ccc(-c2nc(CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)cs2)cc1OC | COCCN1CC=CC[C@H](C2CCN(Cc3cnc(-c4ccc(C)cc4)nc3)CC2)C1=O | 0.498353 |
O=C1COc2ccc(C(=O)COC(=O)c3ccccc3O)cc2N1 | CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 | 0.304 |
Cc1ccnc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)n1 | FC(F)(F)c1c(Br)cccc1NN1CCCCC1 | 0.406114 |
CCOc1ccc2[nH]c3c(NCc4ccccc4OC)ncnc3c2c1 | CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 | 0.5671 |
CN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)N1CCCCCC1 | CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)CC | 0.468992 |
CCc1nnc(NC(=O)/C=C/c2cc3cccc(OC)c3o2)s1 | O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccccc2)C1 | 0.525862 |
Cc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@H](C)CC5)no1 | COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(F)c1 | 0.755467 |
CCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(C)c2)c1 | C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 | 0.416262 |
O=C(O)c1cc(/N=N\c2ccc(-c3ccc(O)cc3)cc2)ccc1O | O=S(=O)(Nc1cccc2cccnc12)c1cccs1 | 0.332436 |
CCc1nnc(S[C@H]2CCN(c3ccc(C)cc3)C2=O)n1C | Cn1c(O)nc(N2CCC(NC(=O)C3C(C)(C)C3(C)C)CC2)cc1=O | 0.543503 |
Cc1c(Cl)cccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 | N#Cc1ccc(N2C[C@H]3CN(C(=O)[C@H]4COc5ccccc5C4)C[C@H]3C2)nc1 | 0.505747 |
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 | C[C@@H](c1ccccc1)N(C)C(=O)C1=NN(C)C(=O)CC1 | 0.539086 |
COc1cccc(Oc2ccc(NC(=O)N[C@@H]3CNCC[C@H]3O)cc2)c1 | O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc2n1Cc1ccccc1 | 0.438053 |
Cc1noc([C@H]2COCCN2Cc2cccc3c2OC(C)(C)C3)n1 | CNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2S1 | 0.537313 |
CCOc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)cc1 | C[C@@H](NC(=O)CN1CC[C@](C)(NCC(=O)O)C1)c1ccccc1 | 0.431624 |
CCCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)C[C@H](C2CC2)O1 | O=C1CCCN1CC(=O)N1CCc2ccccc2C1 | 0.417989 |
CC[C@@H](NC1CCCCCC1)c1ncc(C)[nH]1 | NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CCCc2ccccc21 | 0.327343 |
COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4nc(O)n[nH]4)C3)nc2c1 | C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCOCC1 | 0.330891 |
CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1c(C)nn(C(C)(C)C)c1C | Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[nH]c(=O)c2C1 | 0.702869 |
COc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 | Cc1noc([C@H](C)NC(=O)[C@H](C(C)C)N2CCCCC2)n1 | 0.24736 |
COc1ccc2nc(CO[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3F)[nH]c2c1 | Cc1cccc(NC(=O)CCc2c(C)n[nH]c2C)n1 | 0.369048 |
COc1ccc(NC(=O)c2ccc(NCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)cc2)cc1 | CSCC1(CN2CC[C@@H](NS(C)(=O)=O)C2)CCC1 | 0.328398 |
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F | O=C(O)c1csc(Cc2ccccc2F)n1 | 0.307463 |
Cc1cc(N2CCCCC2)ccc1Br | C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c3ccccc13)C2=O | 0.281038 |
CCc1nsc(N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 | Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 | 0.498899 |
CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)OC[C@H]1CCCO1 | COC(=O)c1ccc(/C=N\Nc2ocnc2C#N)cc1 | 0.232745 |
CCOc1ccccc1-c1noc([C@H]2CC(=O)N(c3c(C)cccc3C)C2)n1 | Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@H](C)C(=O)NC(C)C | 0.567686 |
Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1NCc1cccnc1 | CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cc[nH]n2)C1 | 0.659893 |
Nc1ncccc1OCC(=O)Nc1ccccc1F | CCn1ccc2cc(Br)ccc21 | 0.229068 |
CCCCNCc1ccc(C(=O)O)cc1 | COc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 | 0.215531 |
O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](C(=O)N2CCCC2)C1 | C[C@H](SC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccccc1 | 0.655067 |
CCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S | CCOC(=O)[C@@H](C#N)N=Nc1ccccc1 | 0.269022 |
Cc1occc1C(=O)N1CCc2ncnc(N3CCCC3)c2CC1 | O=C(N[C@H]1CCSc2c(F)cccc21)c1cc2c(s1)CCCC2 | 0.653445 |
COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 | COc1ccc(C)cc1NC(=O)N1CCN(CCc2ccccc2)CC1 | 0.368932 |
Fc1ccccc1NC(=S)NC[C@H]1CCCO1 | Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2)cs1 | 0.334475 |
COc1ccccc1C(=O)Nc1ccc2c(c1)ncn2CC(=O)NCCN(C)C | COc1ccc(-c2nnc3n2CC[C@H](C(C)(C)C)CC3)c(OC)c1OC | 0.594566 |
CCOc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O | COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 | 0.657592 |
N#C[C@@H](NC(=O)CCCOc1cccnc1)c1ccc(F)cc1F | Cc1noc(-c2ccccc2)c1C(=O)N[C@H](C)Cc1ccccc1F | 0.509592 |
COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)c1 | Cc1ccc(CNC(=S)Nc2nc(N3CCCCCC3)cc(C(F)(F)F)n2)o1 | 0.481605 |
Cc1cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)nn1Cc1ccc(F)cc1Cl | C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 | 0.408467 |
CCc1cnccc1C(=O)N(C)c1ccccc1C(=O)OC | O[C@@H](CN(Cc1ccccc1)Cc1cccnc1)c1ccco1 | 0.398467 |
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1F | Cc1cc(NC(=O)CCn2cnc3c(cnn3C)c2=O)ccc1Br | 0.525253 |
CN(C)C(=O)c1cc2cc(NC(=O)NCCCN3CCCC3)ccc2s1 | CCOc1ccc([C@@H](CC(=O)O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC | 0.420739 |
C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 | CCC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 | 0.414591 |
O=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)s1 | C[C@H](C(=O)N[C@H](C)c1ccccc1)N1CCC(NC(=O)c2ccccc2)CC1 | 0.296562 |
Cc1cccc(N2CCN([C@H]3CC(=O)N(C4CC4)C3=O)CC2)c1C | C[C@@]1(C(=O)O)CCN(C(=O)CCC2CCOCC2)C1 | 0.338527 |
COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)c1 | O=C(CCc1cccnc1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 | 0.58691 |
CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(C)cc1 | Cc1cc(N[C@@H](C)[C@H]2CCCO2)n2ncnc2n1 | 0.484882 |
Cc1cc(C)n(CC(=O)N(Cc2ccccc2)CC2CCOCC2)n1 | Cc1ccccc1CN(C)Cn1nc(-c2cccnc2)n(C)c1=S | 0.492537 |
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nccs3)c(C)cc21 | Cc1ncccc1C(=O)N1CCC(N2CCN(CCO)CC2)CC1 | 0.453564 |
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 | NC[C@H](c1cc(F)ccc1F)N1CCCCC1 | 0.335286 |
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 | O=[N+]([O-])c1cccc(/N=C\c2ccc(N3CCOCC3)cc2)c1 | 0.375291 |
COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc3c(c1)N(C)C(=O)CO3)cn2C | O=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 | 0.461624 |
Nc1nccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)n1 | O=C(c1cccnc1)N1CCC([C@@H](O)C(F)(F)F)CC1 | 0.406091 |
CCCn1ncc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c1C | COc1ccc(CCN2CCOc3nc4c(C(C)C)cccc4cc3C2)cc1OC | 0.53913 |
CCOc1ccc(-c2nnc(SCC(=O)c3ccc(NC(=O)CC)cc3)o2)cc1 | Cc1c([C@@H](C)NC(=O)c2cnc3onc(C)c3c2)oc2ccccc12 | 0.546524 |
COc1ccc2nc(SCC(=O)Nc3cc(Br)ccc3Br)[nH]c2c1 | COc1cccc(Br)c1C(=O)OCc1ccccc1 | 0.375676 |
COc1cccc2ccc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)nc12 | C=CCn1c(=O)c(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2cc(C(F)(F)F)ccc21 | 0.668394 |
Cc1cnn(CCC(=O)N2CCC[C@H]2c2cc[nH]n2)c1 | Cc1nc([C@@H](NC(=O)CN2CCOCC2=O)c2ccccc2F)no1 | 0.475169 |
Cc1c(CC(=O)N2CCNC(=O)C2)c2c(n1CCc1ccccc1)CCCC2=O | CC[C@H]1CN(C(=O)c2cccc(-c3nccc(OC)n3)c2)CCN1C(C)C | 0.563043 |
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | Clc1ccc([C@H]2CCCCCN2)cc1Cl | 0.345333 |
O=C(CN(Cc1ccco1)Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 | CC(C)n1cc(NCc2cc(C3CC3)nn2C(C)C)cn1 | 0.462942 |
O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1cccs1 | CCN(CCCNc1ccc(C#N)cc1Br)S(C)(=O)=O | 0.354696 |
COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccn1 | CC(C)c1nc(C(=O)OC2CCN(C=O)CC2)cs1 | 0.468594 |
CSc1cccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1 | COc1cc2c(cc1CN1CC[C@H]3[C@@H]1CCN3C(=O)c1ccn(C)n1)OCO2 | 0.497136 |
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