p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@H]1c1ccccc1F | COCC[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1Cl | 0.529412 |
N#Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 | Cc1nn(C)c(C)c1NC(=O)CCn1cnc2ccccc2c1=O | 0.51921 |
Cc1cccc(-n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nnc2N2CCOCC2)c1 | C[C@H](NC(=O)c1ccccn1)c1nnc2n1CCC2 | 0.579055 |
COc1cc(-c2nnc3sc(-c4cncc(Br)c4)nn23)cc(OC)c1OC | CS(=O)(=O)N1CC[C@H](Cc2cccnc2-c2ccc(C(=O)O)cc2)C1 | 0.542026 |
CC(C)/N=C(/O)c1cnn2c1C[C@H](C/N=C(/O)COc1ccc(F)cc1F)CC2 | O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 | 0.508753 |
Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)cc12 | COCCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(S(N)(=O)=O)ccc21 | 0.731237 |
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cncc(C)c3)C2)cc1 | CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 | 0.685128 |
COc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)on1 | COc1ccc(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 | 0.501075 |
CCc1ccc2oc(-c3cc(NC(N)=S)ccc3Cl)nc2c1 | COc1cc(C[C@]2(CCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)CCC(=O)N2)ccc1F | 0.548456 |
COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CNC(C)=O)nc21 | CC(C)(C)c1csc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@@H]2O3)n1 | 0.599178 |
COc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 | N[C@@]12CCOC[C@@H]1CN(Cc1cnn(-c3ccc(Cl)cc3)c1)C2 | 0.563559 |
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1=O | Cc1c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cnn1C | 0.544162 |
O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1nccs1 | CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2ccc(C)c(C)c21 | 0.569055 |
CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(F)c1 | C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 | 0.563694 |
Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H]2c2c(C)nn(C)c2C)n1 | O=C(Nc1ccccc1-c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 | 0.630865 |
COc1ccc([C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1F | Cc1cccc(-n2nc(C(N)=O)nc2-c2ccccc2)c1C | 0.55804 |
Cc1ccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 | CCNC(=O)N1CCC[C@@]2(CCCN(Cc3ccc(OC(F)F)cc3)C2=O)[C@H]1C | 0.525843 |
CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1ccccn1 | COC(=O)c1ccc(-n2c(C)cc(C(=O)CSC)c2C)cc1 | 0.507246 |
COc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 | COC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3[C@@H]4C(=C(N)S[C@H]3C2=O)C(=O)Oc2ccccc24)c1 | 0.612426 |
CN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 | COc1ccc(NC(=O)C2=C(C)Nc3nc(-c4cccs4)nn3[C@@H]2c2ccccc2OC)cc1 | 0.604187 |
CCn1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)nc2ccccc21 | O=C(N[C@H](c1ccccc1)c1ccco1)c1cccc(-n2cnnc2)n1 | 0.62513 |
CCOC(=O)[C@@H](NC(=O)c1ccc(F)cc1Br)c1cccc2ccccc12 | CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)Nc2ccccc2)C1 | 0.545856 |
C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)c1c[nH]c2ccccc12 | CC[C@H]1OCCC[C@@H]1C(=O)NCCc1nc2ccccc2n1CC | 0.54717 |
COC(=O)c1c(NC(=S)NC[C@@H]2CCCO2)sc(C(=O)N(C)C)c1C | CCc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4)c3)CC2=O)cc1 | 0.613516 |
O=C(Cn1nnnc1CN1CCOCC1)N1CCN(c2ccccc2)C(=O)C1 | Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3[C@H]4[C@H]3[C@H]2[C@]23C[S@@](=O)C[C@@]12[C@@H]43 | 0.561715 |
COCCNC(=O)NC(=O)CSc1nc(-c2ccc(C)c(C)c2)cn1-c1ccccc1 | CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)CCCc2nc3ccccc3s2)C1 | 0.529025 |
O=C(COc1ccccc1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 | COCCN(C)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 | 0.638776 |
Cc1noc([C@H](C)Sc2nnc(Cc3cccs3)o2)n1 | CCCCc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)cc1 | 0.546709 |
Cc1nn(C)c2sc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cc12 | Cc1nnc2ccc(NC[C@@H]3CCCN(C)[C@@H]3c3ccccc3)nn12 | 0.622407 |
Cn1ncc(Br)c1CC(=O)N[C@@]12CCC[C@@H]1NCC2 | COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1OC | 0.515575 |
CN(C)c1ncccc1-c1nc2cc(Cl)c(Cl)cc2s1 | COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)n2C[C@@H]2CCCO2)cc1 | 0.599793 |
C[C@@]12CC=CC[C@]1(c1ccccc1)CS(=O)(=O)C2 | C[C@H](C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O | 0.558455 |
CNC(=O)c1cnn(-c2nc(N)c3ncn([C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 | CCc1nccn1CCC(=O)N1CCC[C@H](OCc2ccccn2)C1 | 0.533881 |
Cc1ccc(Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)cc1 | COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(OC)c1 | 0.554255 |
FC(F)(F)c1nc(NCC2(N3CCOCC3)CCCCC2)c2nc[nH]c2n1 | COC(=O)c1sccc1NC(=O)CN1CCCO[C@@H]2CCC[C@H]21 | 0.555801 |
CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)C1CCCCC1 | CCc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4cccs4)CC3)sc2c1 | 0.519792 |
CC1=NN(C(=O)OC(C)(C)C)[C@@](O)(c2ccncc2)C1 | CCn1ccnc1[C@H]1CCCN(c2c(C(=O)O)cnc3c2c(C)nn3C)C1 | 0.705231 |
COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c(F)cc1F | C[C@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(F)c(F)c1F | 0.599114 |
Cc1cccc(OCc2nn3c(-c4ccccc4Br)nnc3s2)c1 | COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)o2)cc1 | 0.631303 |
N[C@@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)C(=O)O | O=C(O)Cc1sc(Cc2nnc3n2CCCCC3)nc1-c1ccc(Cl)cc1 | 0.525547 |
Cc1cnn(C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 | Cc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 | 0.541799 |
Cc1cccc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)c1 | Cc1nc(=NC(=O)c2c(F)cc(F)cc2F)n(-c2ccc(C#N)cc2)[nH]1 | 0.613684 |
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 | COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 | 0.603696 |
CCc1nc(S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)O)n[nH]1 | Cc1cccnc1[C@H]1CCC[C@H](Nc2ccc(NS(C)(=O)=O)cc2)C1 | 0.517572 |
COc1ccc(C)cc1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 | COc1ccc(OC)c(N2C(SCc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 | 0.58805 |
CCc1nn2c(=O)cc(COc3ccccc3Cl)nc2s1 | C[C@]1(c2ccc(NC(=O)C[C@H](NC(N)=O)c3cccc(Br)c3)cc2)NC(=O)NC1=O | 0.535906 |
CC[C@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 | Cc1nn(C)cc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)c1cccc(O)c1 | 0.535525 |
O=C1CCc2cc(OCCOC(=O)c3cccc4cn[nH]c34)ccc2N1 | CCCCc1nnc(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)n1N | 0.513333 |
COc1ccc(S(=O)(=O)CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 | Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c(C)c(C)sc2n1 | 0.649419 |
CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nc2cc(S(N)(=O)=O)ccc21 | Cn1[nH]c(C(=O)N2CCC[C@@]23CCCN(CCO)C3=O)nc1=O | 0.642783 |
CNC(=O)c1conc1[C@@H]1CCCCN1 | c1cc([C@@H]2CCCCN2Cc2cscn2)[nH]n1 | 0.501263 |
CCN1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 | NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1 | 0.510474 |
Cc1ccccc1[C@]1(O)CCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 | COc1cc(F)ccc1N1CCN(Cc2nc(-c3ccccn3)no2)CC1 | 0.589958 |
Cc1ccc2c(=O)cc(C(=O)N3CC[C@]4(CNC(=O)CO4)C3)oc2c1 | CCOc1ccccc1[C@H]1NC(=O)NC(CN(C)Cc2ccccc2)=C1C(=O)OC | 0.66566 |
Cc1c(N(Cc2ccccc2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C | C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN(CCF)C3)C1 | 0.633947 |
CC1(C)CN(C2CCN(C(=O)N=c3[nH]oc4c3CCCC4)CC2)C1=O | COc1ccc2c(c1)C=C(CN1CC=C(n3c(C)nc(=O)c4ccccc43)CC1)CO2 | 0.637591 |
C=CCn1c(SCC(=O)Nc2cc(-c3ccc(C)cc3)no2)nnc1[C@H]1COc2ccccc2O1 | O=C(C[C@H]1CNCCS1(=O)=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 | 0.649177 |
COc1ncccc1CN1CCC2(CC1)C(=O)N(C)CCN2Cc1csc(C)n1 | O=C(O)CN1CCCC[C@@H](N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)C1=O | 0.598895 |
NC(=O)CCN1CCn2nc(CCC(=O)N3CCCC3)cc2C1 | O=C(NCc1cccc2cccnc12)N1CC[C@]2(C1)OCc1ccccc12 | 0.543595 |
COC(=O)[C@@H]1C/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccsc2C1 | C[C@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccc(F)c1)O2 | 0.680162 |
Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 | CC1CCN(C(=O)CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)CC1 | 0.536952 |
Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5ccc(Cl)cc5)[C@@H]34)[C@H]2C1=O | COc1c(C)cnc(CN2CCCc3ccccc3C2)c1C | 0.539615 |
COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1 | Cc1cc(C)c(CNC(=O)N[C@H](C)[C@H]2C[C@@H]2c2ccccc2)c(=O)[nH]1 | 0.555315 |
Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4ccncc4)CC3)c12 | O=C(c1cccc2c1OCC2)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 | 0.613419 |
Cc1cc(C)n2c(SCc3cc(=O)n4ccccc4n3)nnc2n1 | O=C(Cn1cnc2ccc(Cl)cc2c1=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 | 0.638517 |
Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] | Cc1nc(C(=O)N[C@H](C)Cc2ccco2)nn1-c1n[nH]c(C(F)(F)F)n1 | 0.594709 |
CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 | COc1cc(OC)c(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1Cl | 0.634694 |
Fc1ccc2[nH]c(-c3nc(CC4CC4)no3)c(Cl)c2c1 | Cc1c(C#N)c(NC(=O)CN(Cc2cccs2)C2CC2)n(Cc2ccc(F)cc2)c1C | 0.645128 |
Cc1nn(CC(=O)NC[C@H](c2cccnc2)N2CCCCC2)c(C)c1C | CC[C@@H](Sc1nnc(CC(=O)Nc2ccc(C)cc2C)n1C)C(=O)Nc1cccc(C(C)=O)c1 | 0.568649 |
COc1ccc(C)cc1[N]N=C1C=CC(O)=C2C1=CC=C[N+]2=O | N#Cc1ccc(-n2c(SCCCOc3ccc(F)cc3)nc3ccccc3c2=O)cc1 | 0.604627 |
CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1 | Cc1nc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cs1 | 0.515744 |
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 | CNc1cc(C)c([C@@H]2CCCN2CC(C)C)cn1 | 0.524607 |
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 | CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 | 0.557652 |
CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)O)N(C)C1 | COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC | 0.596859 |
CC[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ncc(C)s1 | CCC1=NO[C@H](CNC(=O)c2cc(C)n3nc(C)cc3n2)C1 | 0.567834 |
CO[C@H]1[C@H](N(C)C(=O)c2cc(C)nc(O)n2)COC[C@H]1OC | Cc1ncc(S(=O)(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)s1 | 0.505543 |
CC1CC(C(=O)NCc2nccc(N)n2)(c2cccc(Cl)c2)C1 | COc1cccc(CN(C)C(=O)CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)c1OC | 0.559956 |
Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 | Cc1cc(C)cc(-n2c(SCC(=O)N(C)C)nnc2-c2ccc(Br)cc2)c1 | 0.547566 |
COC(=O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)o2)c1 | Cc1noc(C)c1CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 | 0.52443 |
Cc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c1 | Cc1csc(N(C(=O)c2sc(-c3ncccn3)nc2C)c2ccccc2)n1 | 0.696319 |
O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCc2ccccc2C1 | O=C(c1ccon1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 | 0.544419 |
Cn1cc(S(=O)(=O)Nc2ccc([C@H](O)CN3CCCCC3)cc2)c(=O)n(C)c1=O | COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC | 0.651047 |
CC(C)n1ncc2cc(C(=O)N[C@H](C)CCc3ccco3)cnc21 | COc1nc2c(cc1CN1CCC[C@@H]1c1cc(C)no1)C(=O)N(C(C)C)C2 | 0.652129 |
COc1ccc(/C(C)=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 | COc1cccc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)c1 | 0.619099 |
CCCc1ccc(NC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 | O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-c2ccccc2)cc1F | 0.503842 |
O=C(O)Cn1cc([C@@H](C(=O)O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21 | CC[C@@H]1C[C@@H]1NC(=O)[C@H]1COc2ccccc21 | 0.515897 |
N[C@@H](Cc1ccc(C(F)F)cc1)C(=O)N[C@]1(c2ncccn2)CCOC1 | COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 | 0.525751 |
COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cc1 | CC(C)CNC(=O)C1(NC(=O)Nc2ccc3sncc3c2)CCCC1 | 0.531823 |
CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O | COc1ccc(/C(N)=N/OCC(=O)Nc2ccccc2-c2ccccc2)cc1OC | 0.514221 |
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C | C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(OC)c(OC)c1 | 0.663909 |
CCC(=O)N1CCCN(C)CCCN(C(=O)Cc2ccc(Cl)cc2)Cc2cc(F)c(F)cc21 | COc1ccc(N2CCn3c(SCC(=O)NC[C@@H]4CCCO4)nnc32)cc1 | 0.596791 |
COc1cccc(NC(=O)c2ccc3nnc([C@@H]4CCN(C(=O)N(C)C)C4)n3c2)c1 | Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)Nc2ccccc2C)c2ccccc23)cc1 | 0.756461 |
COc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC(C)C | COc1ccc(-c2coc3cc(OCC(=O)NCCc4c[nH]c5ccccc45)ccc3c2=O)cc1 | 0.575824 |
CCOC(=O)c1ccc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 | Cc1cccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)C(=O)NC2=S)c1 | 0.598244 |
CCOC(=O)c1nc[nH]c1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 | O=C1CC[C@H](N2C(=O)c3cccc(NCCCCN=c4nc(C5CCCC5)[nH]s4)c3C2=O)C(=O)N1 | 0.608559 |
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] | Cc1cc(N2CCN(C(=O)[C@@]3(OC(C)C)CCOC3)CC2)nc(C)n1 | 0.513245 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 | C[C@H](Sc1nncs1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 | 0.539576 |
O=C(O)c1ccc(Br)cc1CN1CCn2ncnc2C1 | O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(Cl)ccc1N1CCOCC1 | 0.503378 |
Cc1ccc([C@@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1Cl | COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 | 0.522255 |
COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cc(C)nc4ccc(C)cc24)O3)nn1 | Cc1ccc(N2C(=O)[C@@H]3C(c4cccnc4)=NO[C@@H]3C2=O)c(C)c1 | 0.758342 |
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