p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1c3c(nc4ccccc14)CC[C@H](C)C3)OCO2 | COc1ccc(CC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1 | 0.583762 |
O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccs1 | COc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)c(OC)c1 | 0.570053 |
COc1cccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1 | COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC1 | 0.646872 |
COc1ccc(C(=O)CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 | Cc1nc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)no1 | 0.554963 |
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccccc45)[C@H]3C[C@@H]12 | COc1ccc(CCNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC3CC3)c2=O)cc1 | 0.518265 |
O=C(C[C@@H]1CSc2nccc(=O)n21)NC1CCCCCC1 | CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 | 0.526709 |
CC(=O)N1CCC[C@H]1c1cncc(-c2ccnn2C)n1 | N[C@@H](Cc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1)C(=O)O | 0.590909 |
Oc1ccccc1-c1nc(N2CCCCC2)c2ccccc2n1 | O=C(CN1CCn2c(Cc3cccc(Br)c3)nnc2C1)N1CCCCCC1 | 0.519144 |
Cc1cccn2c(CN(C)C[C@H]3CCCCO3)c(C(=O)N3CCOCC3)nc12 | CCC(=O)Nc1cccc(-c2oc3ccccc3c(=O)c2C#N)c1 | 0.558289 |
CSc1ccccc1C(=O)Nc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 | CCN(CC)S(=O)(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 | 0.518135 |
O=S(=O)(c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1)N1CCOCC1 | O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](O)C3)CC2)Nc2ncccc21 | 0.689762 |
Cc1csc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 | C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 | 0.562137 |
Cc1cnn(C[C@@H](C)NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1 | Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C | 0.531847 |
CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 | O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)nc1NCC[C@H]1CCCC[C@H]1O | 0.62199 |
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c(Cl)oc2ccccc12 | Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@H](c4cc[nH]n4)C3)c(C)s2)n[nH]1 | 0.578893 |
O=C(c1cc(-c2cccs2)[nH]n1)N1CC(Oc2nccs2)C1 | OCCCc1nc2n(n1)[C@H](c1ccco1)C=C(c1ccc(F)cc1)N2 | 0.610494 |
CCn1cc(OCC(=O)N[C@H]2CCOc3ccccc32)cn1 | C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc2c(c1)OCCO2 | 0.562929 |
CCCCOc1ccc(-c2cc3c(=O)n(Cc4cccc(OC)c4)ccn3n2)cc1 | CCc1nc(N2CCN(C(=O)c3cccnc3)CC2)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 | 0.727 |
Cn1ncnc1CN1CCC[C@@]2(CC(=O)NN2C(=O)Cc2cccc(F)c2)C1 | COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cccc(N3CCCC3=O)c1)C2 | 0.583333 |
Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N(C)c1ccccc1 | Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ncnn1C | 0.56811 |
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)cc1 | N#Cc1c(-c2ccco2)cc(-c2ccc3c(c2)OCO3)[nH]c1=O | 0.635052 |
Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)N(C)CC1=CCCOC1 | CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12 | 0.504566 |
COC(O)=C1C=CC(=NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)C=C1 | Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@H]3C)s1 | 0.561644 |
COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 | CN(Cc1ccc(Br)cc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 | 0.709808 |
O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc([C@H]2CCOC2)c1 | Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O | 0.541888 |
CCn1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 | Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2nc(C)no2)cc1 | 0.534632 |
CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)ccc3C)cc2C1=O | Oc1ccc(Br)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 | 0.582406 |
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 | O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1[C@@H](C(F)(F)F)[C@H]2CC[C@H]1O2 | 0.684476 |
O=C(c1cn2cccnc2n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 | O=c1cc(CN(Cc2ccco2)Cc2ccco2)nc2sccn12 | 0.532222 |
CCn1c(CN2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)nc2ccccc21 | Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(C[C@H]1CCCO1)C3=O | 0.764414 |
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)CC3 | COc1cc([C@@H]2c3cc4c(cc3O[C@@H](O)[C@H]2C)OCO4)cc(OC)c1OC | 0.589027 |
Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1N(C)C | O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)ccc2N1 | 0.564477 |
COc1ccc(-n2nc(Cn3cncn3)nc2[C@@H]2CCS(=O)(=O)C2)cc1 | Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c1 | 0.566772 |
CS(=O)(=O)c1nc2ccccc2n1CC(=O)NC1(c2ccccc2)CCC1 | COc1cc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc(I)c1O | 0.638165 |
CCOc1cccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c1 | Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1 | 0.639175 |
CC(C)CCNC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 | C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2ccccc2n1 | 0.512017 |
O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 | N#Cc1ccc(CNC(=O)[C@@H]2Cc3[nH]cnc3CN2Cc2cc3ccccc3o2)cc1 | 0.681307 |
CN(Cc1nc(N(C)C)ncc1-c1ccncc1)C(=O)c1ccc2c(c1)OCO2 | COCCCn1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1C | 0.615063 |
CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3s2)s1 | Cc1ccc(-c2nc(NC[C@@H]3COCCO3)ncc2-c2cnccn2)s1 | 0.549189 |
O=C(c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 | Cn1cc(-c2cncc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cn1 | 0.538291 |
Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)on1 | N[C@@H](Cc1ccccc1)c1n[nH]c(-c2cccc(F)c2)n1 | 0.508282 |
Cc1oc2cc(OCC(=O)NCc3ccco3)ccc2c(=O)c1-c1c(F)cccc1Cl | COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(C(C)=O)c3)C2=O)c1 | 0.682329 |
Cc1oc(NC(=O)[C@H](C)N2CCNC(=O)CC2)c(C#N)c1C | Cc1ccc(C(=O)N2CCC[C@H](c3nc(=O)c4nnn(Cc5ccc(C(C)(C)C)cc5)c4[nH]3)C2)cc1 | 0.570401 |
CN1C(=O)c2ccccc2O[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 | COc1cc([C@@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc(OC)c1OC | 0.725394 |
COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)cc(Cl)c1OCC(N)=O | COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O | 0.664008 |
CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 | Cc1c[nH]c([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 | 0.525967 |
CNC(=O)c1cccc(NC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)c1C | O=S1(=O)CC[C@@H](c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)C1 | 0.542677 |
O=C(CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 | COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)N=c3[nH]c4ccccc4[nH]3)n(C)c2c1 | 0.708417 |
O=C(OCC[C@H]1Oc2cccnc2NC1=O)c1ccc(Cl)cc1 | CCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | 0.550549 |
Cn1ccnc1[C@@H](NC(=O)c1ccc(O)cc1F)C1CC1 | C=CCN1C[C@H](c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)CC1=O | 0.582251 |
Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 | CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)OCC)c1C | 0.695652 |
COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(C)c(OC)cc3C)c2c1 | CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 | 0.526258 |
COc1cc(/C=N/Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)ccc1O | CC1=NC(=O)C2(CCN(c3nc(C(C)(C)C)nc4c3cnn4C)CC2)N1 | 0.723684 |
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N3)CC1 | CCOC(=O)c1coc(N2CCCN(c3ccccc3C)CC2)n1 | 0.618201 |
CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC | COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccccc2)cc1C | 0.52381 |
Cc1ccccc1-n1c(N)c(-c2nc3ccccc3[nH]2)sc1=S | Fc1ccc([C@@H]2CN(Cc3ncc(-c4ccc(Cl)cc4)o3)CCO2)cc1 | 0.538543 |
Cc1cc(=O)oc2c(I)c(OCC(=O)N3CCc4ccccc43)ccc12 | CCOc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O | 0.565775 |
Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 | CO[C@@]1(C)CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 | 0.520564 |
CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 | Cc1noc(C)c1CN1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 | 0.5125 |
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)[C@@H]2SC1 | COc1ccc2nc(N3CCN(c4ncccn4)CC3)sc2c1 | 0.567703 |
CC1(C)CCCc2sc(NC(=O)N3CCNC(=O)C3)nc21 | O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCCN1CCN(c2ncccn2)CC1 | 0.558577 |
COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N[C@@H](C)CN(C)C)n2)c1 | COc1cc(C)c(NC(=O)c2cnc(C(C)C)s2)cc1OC | 0.550725 |
COC(=O)c1cc(NC(=O)CN(C)Cc2cc(F)cc3c2OCOC3)cc(C(=O)OC)c1 | CCCc1ccc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 | 0.571081 |
COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(C)=O)cc1OC | C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 | 0.657696 |
O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)[C@H]1CC(=O)N(Cc2cccnc2)C1 | O=C(N[C@@H](C(=O)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 | 0.510907 |
CN(C)Cc1c(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)oc2ccccc12 | CCn1cc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c(C(F)(F)F)n1 | 0.55794 |
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C | Cc1ccc(N2CCC[C@H](N(C)c3nc(N)nc(C4CC4)n3)C2)nn1 | 0.621259 |
COc1cc(C(=O)Nc2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC | CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)n1 | 0.633588 |
COCCn1ccc(C(=O)N2CC3(C[C@@H](OC)CS3)C2)n1 | Cc1cccnc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 | 0.538724 |
COc1ccc(CN(C)C(=O)C(O)(c2ncnn2C)c2ncnn2C)cc1 | O=C1NCCc2nc(C3CCN(C(=O)c4ccccc4)CC3)cc(C(F)(F)F)c21 | 0.615222 |
CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1 | O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nc2cc(Cl)ccc2s1 | 0.675079 |
C[C@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1S(C)(=O)=O | CCC[C@@]1(CO)CCN(C(=O)C2(c3cccnc3)CCCC2)C1 | 0.543524 |
CS(=O)(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 | C#CC[C@H]1NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O | 0.555437 |
C[C@H]1CCCC[C@H]1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 | COc1ccc(-c2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc3c2ncn3C)cc1 | 0.630052 |
CNS(=O)(=O)[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1 | COc1ccc(-c2c[n+](-c3ccc(C)cc3)c3n2CCCS3)cc1 | 0.539446 |
CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc(OC)c1 | Cc1nc(C)n([C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 | 0.520397 |
CCS(=O)(=O)C/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1csc(C)n1 | COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F | 0.515676 |
O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CCOCC2(CC2)C1 | Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CCN(CCN3CCCC3)CC2)cc1 | 0.560543 |
C[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C)c2ccccc21 | Cn1c(N)c(C(=O)COC(=O)c2csc(NCc3ccccc3)n2)c(=O)n(C)c1=O | 0.548354 |
COCC(=O)Nc1cc(C(=O)N2CCC(OC)CC2)c2c(c1)ncn2CCc1ccccc1 | COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1OC | 0.595188 |
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C | CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 | 0.585805 |
CCOc1cc2c(cc1CNC(=O)c1cccc(S(=O)(=O)NCc3ccco3)c1)O[C@H](C)C2 | COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 | 0.68719 |
C=C(C)C[C@@H]1N(c2ccccc2F)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 | Cc1nnc(CN2CCCN(C(=O)c3cc(CC(C)C)[nH]n3)CC2)o1 | 0.521341 |
COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 | Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1C | 0.653689 |
COc1ccccc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 | CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 | 0.551392 |
COc1cccc(CCNC(=O)c2sc(NC(=O)Nc3ccc(Cl)cc3)nc2C)c1 | COC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1 | 0.516166 |
Cc1cc(-c2cnc(NCc3ccncc3)nc2C2CC2)on1 | COc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1Cl | 0.539037 |
Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n(C(C)C)c(=O)c2[nH]1 | COc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1C(=O)N1CCCCCC1 | 0.586538 |
O=C(NCc1ccccc1Br)[C@@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1O2 | COc1ccc(CCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 | 0.539459 |
Cc1nonc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 | Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C(C)(C)C)cs1 | 0.595137 |
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 | Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1cccc(F)c1 | 0.57295 |
CCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C)c2ccccc2c1=O | COc1ccc(CN(C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC(F)F | 0.60148 |
CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(C#N)C(=O)O | Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCCC2)c2ccccc2)cc1 | 0.521036 |
C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)CCN1CC(C)(C)O | Cc1c(CNC(=O)CCN2CCOC2=O)noc1-c1ccccc1 | 0.518779 |
CC(C)c1nnc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cn12 | CCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)ccc12 | 0.620507 |
CC[C@@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)c1ccccc1 | Cn1cnc2c1c(=O)n(CC(=O)NC1CC1)c(=O)n2C | 0.515847 |
COc1ccc(OCCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 | Cn1c(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)nc2ccccc21 | 0.531618 |
Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)c1C | Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1[nH]nc2c1CCC2 | 0.64843 |
C[C@@]12CCCN(C(=O)c3nsc(Cl)c3Cl)[C@H]1CCc1cncnc12 | O=C(c1c[nH]c2ccccc12)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 | 0.703173 |
Cc1nc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)cs1 | CCOC(=O)c1[nH]c2ccccc2c1NC(=O)N(CCO)CCCO | 0.541215 |