p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 | CNC(=O)c1ccc(-c2cccc([C@@H](C)N3CCCC3)c2)o1 | 0.526374 |
O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1)Nc1ccc(F)cc1 | CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(=O)OC)cc1 | 0.550254 |
C=CCNC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 | CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 | 0.507614 |
O=C([C@H]1SCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 | COCc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccc(Cl)s3)C2)n1 | 0.511376 |
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](CC)(c3cccc(Cl)c3)C2=O)sc(C)c1CC | CN1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O | 0.683099 |
CC(=O)Nc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccccc12 | N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2scc3c2OCCO3)CC1 | 0.689024 |
COC(=O)c1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)ccc1F | Cc1ccncc1CC(=O)N[C@H]1C[C@]2(CCNC2)Oc2ccccc21 | 0.568433 |
O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc2c(c1)OCCO2 | Cc1cc(C)n([C@H](C)C(=O)NC[C@]2(O)CCOC2)n1 | 0.514069 |
COCCn1c(C)cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1C | COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 | 0.560825 |
Cc1ccccc1OCc1nnc(SCC(N)=O)n1CCc1ccccc1 | Cc1nc(C)c(Cn2ccc3nc(O)c(C#N)cc3c2=O)s1 | 0.520043 |
COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1OC | NC[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 | 0.518018 |
CCN1CCCN(C(=O)c2cc(C)c(Br)o2)CC1=O | CCOc1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 | 0.504474 |
COCCCN1CC(O)=c2cc(S(N)(=O)=O)sc2=[S@]1([O])=O | CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc3ccoc23)C12CCC2 | 0.677485 |
O=C(C1CC1)N1CCC(CNc2cc(-c3ccncc3)nc3ccnn23)CC1 | COc1ccc(Br)c(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)c1 | 0.557447 |
CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1(N)C#N | CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc[nH]c1C)C2 | 0.526092 |
Cc1n[nH]c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 | CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2C1=O | 0.541442 |
CCCN1CCCc2cc(CCNC(=O)c3cc(Cl)ccc3OC)ccc21 | CCCn1c(N)c(C(=O)CN(C)Cc2ccccc2Cl)c(=O)n(C)c1=O | 0.569114 |
Cc1ccc(-c2cc(C(=O)NCCCn3nc4ccccn4c3=O)on2)cc1 | Cc1cccc(C)c1N(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O | 0.544565 |
Cc1c(C(=O)Nc2ccc(-n3cncn3)nc2)sc2ncn(C)c(=O)c12 | Cc1ccc(F)c2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)O)cc12 | 0.647059 |
O=C1C[C@@H](C(=O)Nc2ccccc2)n2ncc(-c3ccc(F)cc3)c2N1 | CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S | 0.597031 |
N#Cc1cc2c(n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c1=S)CCCCCC2 | O=c1n(CN2CC=C(c3ccccc3)CC2)nc2ccccn12 | 0.642857 |
O=C1CCCC2=C1C(c1ccncc1)C1=C(CCCC1=O)O2 | N#Cc1c(=O)c2cccnc2n2c1[nH]c1ccccc12 | 0.519956 |
CC[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 | Cn1cncc1[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CCO1 | 0.578778 |
CC[C@H](C(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1)c1ccccc1 | Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 | 0.519914 |
CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N(C)CC(C)(C)O | C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 | 0.51663 |
CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 | CCCc1ccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)c2cccs2)cc1 | 0.513216 |
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N(C)C)cc3OCC#N)cc12 | COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2O)CN1 | 0.556701 |
CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccnc2N2CCCC2)cc1 | CCOC(=O)[C@H]1CN(c2cccc(Cl)c2C)N=C1C(C)=O | 0.512195 |
C[C@@H]1CCc2c(C(=O)OCc3nnc4ccc(Cl)nn34)csc2C1 | Cc1ccccc1CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 | 0.54334 |
COc1cccc(N2C[C@@H](C(=O)NC[C@H]3CCCN4CCCC[C@H]34)CC2=O)c1 | CCN(CC)CC(=O)NCc1c(S(=O)(=O)NC(=O)C[C@H]2CCc3ccccc32)c(C)nn1C | 0.537554 |
COc1ccc(-c2nnsc2C(=O)N(C)c2cccc(OC)c2)cc1 | COc1cccc(C)c1NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)N3)c1 | 0.54143 |
Cc1cc(C)n(-c2ccc(C(=O)NCCCOC(C)C)cn2)n1 | CCn1cc(CN(C)C(=O)c2ccc(OC)nc2OC)c(C)n1 | 0.549539 |
O=C(O)[C@@H]1[C@@H](C(=O)NCc2cccs2)[C@H]2C=C[C@@H]1O2 | CC(C)c1cc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)nc(N)n1 | 0.504494 |
O=C1/C(=C\Nc2cccc(F)c2)Nc2ccc(Br)c(Cl)c21 | Cc1nnnn1-c1cccc(C(=O)NCCc2ccccn2)c1 | 0.515464 |
C=CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 | COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@@H]3C2=O)cc1 | 0.59435 |
CC(C)OC(=O)COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] | Cc1ccc(-c2noc(-c3cccn3CC(N)=O)n2)cc1 | 0.617647 |
Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccccc4)CC3)O2)n1 | COc1ccc(CN2C=C(C(=O)OCc3nc(-c4ccccc4F)no3)C(C)=NS2(=O)=O)cc1 | 0.5356 |
Cc1ccc(CN2/C(=N\C(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 | C[C@]1(c2ccccc2)OC(=O)[C@@H]2CC=CC[C@@H]21 | 0.53012 |
CO[C@@]12CC[C@@H](NC(C)=O)C[C@@H]1N(C(=O)c1cccc3c1CCC3=O)CC2 | COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(N(C)C)cc1 | 0.710309 |
O=C(NCc1ccc(OC(F)F)cn1)N1CCCn2c(cc3ccccc32)C1 | COc1ccc2c(ccn2CCNC(=O)Cn2ncc3c(c2=O)CCCC3)c1 | 0.635179 |
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CN)CC(C)C | O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)cc2N1 | 0.518972 |
Cc1cc(C)n2nc(C)c(C(=O)OCc3cc(Cl)ccc3OCc3cccnc3)c2n1 | O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](c1ccco1)N1CCCC1 | 0.760479 |
Cc1cccc(C)c1OC[C@@H](O)Cn1nc(C)c(C)c(C#N)c1=O | CCCCNC(=O)Cn1c(SC)nc2ccsc2c1=O | 0.571429 |
COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)c(Cl)c1Cl | NC(=O)N1CCC2(CC1)CN(C(=O)c1ccccc1)c1ccc(F)cc12 | 0.569312 |
Cn1ccnc1-c1cc(NC(=O)c2ncccc2O)n(C)n1 | O=C(O)CNC(=O)c1ccc(NC(=O)c2sccc2C2CC2)cc1 | 0.532151 |
O=C(NN1C[C@@H](C(=O)O)CC1=O)c1ccccc1[N+](=O)[O-] | Cc1cc2c(NC[C@@H]3CC(=O)Nc4ccccc43)ncnc2s1 | 0.540894 |
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@H]32)[C@@H]1n1cccn1 | Cc1ccccc1[C@H](C)NC(=O)Cn1cnc2ccccc21 | 0.50641 |
CN(C(=O)C(=O)NCc1ccc(F)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O | O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCCc2ccc3c(c2)OCO3)C1 | 0.554069 |
COc1cc2c(cc1OC)[C@H](NC(=O)Cn1ncc3ccccc3c1=O)CC2 | CCn1cc(NC(=O)c2c(Cl)cnn2CC)c(C(N)=O)n1 | 0.574332 |
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@]14CO[C@@]3(CO)[C@@H](O)[C@H](O)[C@H]24 | CCn1c(SCc2cccnc2OC)nnc1-c1cccs1 | 0.551948 |
O=C(NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncccn2n1)c1ccsc1 | CCC(=O)c1cc2c(cc1N[N+](=O)c1cc3c(cc1C(=O)CC)OCCO3)OCCO2 | 0.570204 |
Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)C[C@H]2CCCO2)n1CC(C)C | C[C@H](NC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1)C(N)=O | 0.695431 |
O=C(c1cn(CCOc2ccccc2)c2ccccc12)C(F)(F)F | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 | 0.519829 |
Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(-n3cncn3)cc1)CC2 | COCC(=O)N1CCC(c2cc(N3C(=O)OC[C@@H]3C(C)C)nc(C)n2)CC1 | 0.519252 |
Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)cc1 | C[C@@H]1CN([C@H](C)CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@H](C)O1 | 0.510783 |
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1C | CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@](CCSC)(C(=O)OC)N[C@H]3c2ccccc2C)cc1 | 0.548321 |
N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc4nccnc34)CC2)[C@H]1O | COc1ccc(-c2n[nH]cc2CNC(=O)CSc2nnc(C)s2)cc1 | 0.505308 |
COc1cc(OC)c(NS(=O)(=O)c2cccs2)c(C(=O)O)c1 | CC[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)c1cccs1 | 0.524176 |
C[C@@H]1C[C@@H](Sc2nnc(C3CC3)n2-c2ccccc2)C(=O)O1 | CCOc1ccccc1[C@@H]1CC(=O)Nc2cc(C)c(C)cc21 | 0.520213 |
COc1cccc2cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12 | CCNC(=O)c1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)nc1 | 0.502257 |
O=C(N[C@H]1CCCc2occc21)c1ccccn1 | NC(=O)[C@@H]1CN(C(=O)c2occc2COc2ccccc2)CCO1 | 0.518436 |
Cc1cc(NC(=O)C2CCOCC2)n(-c2ccc(Cl)cc2)n1 | CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2Cc2ccc(O)cc2)C(=O)Nc2ccc(F)cc21 | 0.606362 |
O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)c1ccccc1F | O=C(Cn1cnc2ccsc2c1=O)NCc1ccc(-c2ncon2)cc1 | 0.626723 |
Cc1ccc(C(=O)N2CC[C@]3(CCN3Cc3cnn(C)c3)C2)cc1 | CC(C)(C)n1ccc(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 | 0.581645 |
Cc1nc2n(c(=O)c1C)CN(CCO)CN2c1ccccc1 | O=C(c1nc2sccn2c1CNCC1(c2ccccc2)CCOCC1)N1CCCCC1 | 0.670397 |
CC(C)c1cc(C(=O)NCCc2nncn2C(C)C)on1 | COc1ccc(OC)c([C@H]2/C(=C(\O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)c1 | 0.523524 |
CCC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 | CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1 | 0.570806 |
O=C(NC[C@@H]1CCCO1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 | Cc1cccc([C@@H]2CCCN(C(=O)Nc3nc(C)ns3)C2)c1 | 0.55868 |
CCc1noc(C)c1CNC(=O)c1cc(C(F)F)ncn1 | O=C(Cn1nnc2ccccc2c1=O)NCc1n[nH]c2c1CCC2 | 0.543527 |
CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(=O)OC)c1 | COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 | 0.781587 |
CNC[C@@H]1CCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1 | O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 | 0.55543 |
COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 | COCCN1C(=O)CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1 | 0.524537 |
CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)NCc4ccccc4)cc32)n1 | Cc1cc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc(C)c1Cl | 0.590535 |
C=CCn1c(SC2=CS(=O)(=O)c3ccccc32)nnc1-c1ccncc1 | O=C(c1ccc2c(c1)OCO2)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 | 0.636735 |
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccccc1F | O=C(Cc1cccnc1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 | 0.622951 |
Cc1ccc(-n2c(C)nnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 | C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 | 0.550773 |
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1=O | COc1ccc([C@H]2SCC(O)=Nc3c2cnn3-c2ccccc2F)cc1O | 0.688508 |
O=c1cc(N2CC[C@H](O)C2)cnn1[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 | COc1ccc(CNC(=O)c2c(C)c3ccccc3[nH]c2=O)cc1 | 0.57611 |
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1nc2ccccc2c(=O)[nH]1 | COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2cc(-c3ccc4c(c3)OCO4)nn12 | 0.737688 |
Cc1csc(N2CCN(C(=O)c3nc(C)n(-c4ccc(Cl)cc4)n3)CC2)n1 | Cc1noc(C2CN(C(=O)c3coc(C4CCC4)n3)C2)n1 | 0.546162 |
COCC[C@H]1COCCN1C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O | C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C(=O)N1CCCC1 | 0.525641 |
COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 | CCCn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)c2ccccc2c1=O | 0.59375 |
COc1cccc(NC(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)c1 | CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2n[nH]c(O)n2)C1 | 0.540481 |
Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 | CCCc1cc(-c2nc(C)c(C(=O)NCc3ccccn3)s2)ccn1 | 0.568627 |
CCOc1ccc2oc(C(=O)O[C@@H](C)C#N)c(C)c2c1 | COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 | 0.501149 |
Cc1cc(C)n(-c2ccc(=O)n(C3CCN(Cc4nnc(C(F)(F)F)o4)CC3)n2)n1 | C[C@@H](NC(=O)c1ccn(CCc2ccccc2)n1)c1nnnn1C | 0.538462 |
CCc1cccnc1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 | CCCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O | 0.578893 |
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CN1c2ccccc2C[C@H]1C | C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCOC1 | 0.634085 |
C[C@H](Cc1ccccc1F)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 | O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 | 0.534115 |
Cc1nn(C)cc1C(=O)OCC(COC(=O)c1cn(C)nc1C)c1cccc(F)c1 | CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(=O)c1cccs1)N1c3ccc(Cl)cc3C=C[C@@H]21 | 0.503036 |
O=[N+]([O-])c1cccc(C2=NSC3=NCC(C4CCCCC4)=NN32)c1 | CC1CCC(N(C)c2nc(C(F)(F)F)nc3ccccc23)CC1 | 0.529724 |
CN1CCC[C@H]1c1cc(C(=O)N2C[C@@H](CCN)c3ccccc32)n[nH]1 | COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(CC(=O)N2CCCCC2)C1 | 0.727642 |
Cc1sc2nc([C@@H]3CCCN(C(=O)C(C)C)C3)nc(O)c2c1C | Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl | 0.589552 |
COc1c(C)cc(C)cc1CN1C[C@@H]2CC[C@H]1CN(C)C2 | Cc1ccc(OC(F)F)c(CN2CC[C@@H](c3ccccc3)S2(=O)=O)c1 | 0.538462 |
Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccnn3[C@H](C)C3CC3)C2)c1 | O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CC[C@@H]4CCCC[C@@H]4C3)ccc21 | 0.502183 |
c1cc(C[C@@H]2COC[C@H]2Nc2ncnc3ccsc23)ccn1 | O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc([N+](=O)[O-])cc2c1OCOC2 | 0.523913 |
CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cc5ccccc5o4)nn3c(O)c2C1 | CN(Cc1cc(N(C)C)nc([C@@H]2CCCNC2)n1)C(=O)c1cccc(Oc2ccccc2)c1 | 0.679112 |
Cc1cccnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2 | CC(C)CCN1[C@H]2CCN(C(=O)CN(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O | 0.596398 |
C#CCNC(=O)c1cc(-c2ccco2)nc2onc(C)c12 | Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 | 0.684639 |
S=c1nc[nH]c2sc3c(c12)CCC3 | Cc1ncsc1C(=O)N[C@H](C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C | 0.553895 |
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