diff --git "a/data/benchmarks/seen_compounds/nuclear_receptor_dti_random_split.csv" "b/data/benchmarks/seen_compounds/nuclear_receptor_dti_random_split.csv"
new file mode 100644--- /dev/null
+++ "b/data/benchmarks/seen_compounds/nuclear_receptor_dti_random_split.csv"
@@ -0,0 +1,25521 @@
+X1,ID1
+Oc1ccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL539927
+Oc1ccc2c(c1F)CCCC(c1ccc(F)cc1C(F)(F)F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403852
+COC(=O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F,bindingdb_122669
+CCOc1c(OC)nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_647741
+Cc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2SCC1,bindingdb_403492
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@](C)(C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1Cl,bindingdb_653976
+C/C=C\[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL383253
+CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933840
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCc4nn[nH]n4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4172477
+CS(=O)(=O)c1cc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)ccc1CCO,bindingdb_1130824
+COc1ccc(-n2cc(Br)c3cc(OC)cc(C#N)c3c2=O)cc1,bindingdb_1157665
+O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL150
+Cc1sc(N2CCN(C)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL358325
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1CC1CCCOC1,bindingdb_1130876
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(C)=O)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640887
+COc1ccccc1-c1nc(C)c(COc2ccc(CC(=O)O)cc2)o1,CHEMBL4210149
+CN(C)CCOc1ccc([C@H]2N=CN[C@H]2c2ccc(O)cc2Cl)c(Cl)c1,CHEMBL192706
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc[nH]1,bindingdb_830906
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3C[C@H]2CCCN2c2ncc(F)cn2)cc1,bindingdb_1127659
+C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL178470
+CC[C@H](O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130858
+COc1ccccc1-n1c(O)c2n(-c3ccc(C)cc3)[nH]c(C(=O)c3ccccc3)c-2c1=O,bindingdb_988929
+N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_651505
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F,CHEMBL1254735
+CC/C(=N/O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1209297
+CCc1cc(OCCc2nc(-c3ccc(F)cc3)oc2C)ccc1CCC(=O)O,bindingdb_1002025
+CCCCn1c(=O)c2ccccc2c2cc(C)ccc21,CHEMBL1093312
+CCCCNC(=O)Nc1ccc(C(=O)CCN(C)C)cc1,CHEMBL560675
+COc1ccc(-c2c(C#N)c(C)nc3c2C(=O)c2ccccc2-3)cc1,bindingdb_1026128
+C[C@H](O)Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651659
+CCCC(CCC)(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL461474
+CCCOC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CHEMBL3099429
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(N)(C4)C5)c4cccc(-c5cnc(OCC(F)(F)F)nc5)c4)(CC2)CC3)n1,bindingdb_1019012
+O=C(Oc1ccc2c(c1)OCC2=O)c1ccccc1,CHEMBL1530009
+CC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2,CHEMBL378990
+Cc1cccc(Nc2nc(-c3ccccc3)cs2)n1,bindingdb_1000124
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1,CHEMBL311034
+CN(C)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1Cl,CHEMBL3809583
+CC(C)CN([C@@H](C)c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_653756
+O=C(COc1ccccc1C(=O)N/N=C\c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1,CHEMBL1979849
+O=C(O)C1Cc2ccc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2C1,bindingdb_1018362
+Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1,CHEMBL205577
+Cc1cc2c(CCc3nc(-c4ccc(Cl)cc4Cl)oc3C(C)C)noc2cc1OCC(=O)O,CHEMBL1644614
+COc1cnc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017375
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183859
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4cc[n+]([O-])cc4)cc3C(F)(F)F)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511823
+CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O,CHEMBL779
+CN(C)C(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,CHEMBL4217942
+Cn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183849
+Cc1cc(OC/C=C\C(C#Cc2ccccc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL234485
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF,bindingdb_417249
+Oc1ccc(-c2cc(F)c3cc(O)ccc3c2)cc1,CHEMBL192386
+COC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL594884
+Cc1cc(OCc2nc(-c3cncnc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1079821
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2(CO)COC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184071
+CCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1093517
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc2O1,bindingdb_404074
+O=C(/C=C/c1ccc(O)cc1)c1ccccc1,CHEMBL7747
+Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2nc(C(=O)O)ccc2c1,CHEMBL1672458
+C[C@@H](Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)c1)C(=O)O,CHEMBL3601098
+O=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl,bindingdb_1026191
+CCc1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL191060
+O=CC1=C(Sc2cccc(O)c2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4,CHEMBL566312
+CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C=CCC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,CHEMBL3605560
+Fc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2)c1,bindingdb_649093
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N3CC[C@H](O)C3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699433
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(Cl)cc1-3,CHEMBL104183
+Cc1cc(C(=O)NC[C@H]2CC[C@H](Oc3ccnc4c(C#N)cccc34)CC2)no1,bindingdb_476005
+C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1253814
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc([C@@H](O)C(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183842
+C#Cc1cc(O)cc2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL191759
+N#Cc1ccc(C(O)(c2ccco2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3818634
+COc1ccc2c(n1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4100286
+Cc1cc(C#N)ccc1[C@@H](C)N1Cc2sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc2[C@@H]1C(C)C,bindingdb_270585
+CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL115604
+Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)NC(=O)CO3)cc1,CHEMBL1929037
+CCCCn1c(-c2ccc3nn(CCC)c(Cc4ccc(-c5ccccc5C(=O)O)cc4)c3c2)nc2ccccc21,CHEMBL3115246
+O=C(O)c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CCC3)cc2Cl)c1,CHEMBL468110
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)cccc3C(F)(F)F)cc12,CHEMBL3699427
+O=C(O)CCCc1nc(-c2ccccc2)c(-c2ccccc2)o1,CHEMBL333698
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263714
+Cc1sc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)cc1Br,CHEMBL2381209
+C=C1c2ccc(-c3ccc(CC(=O)O)cc3)cc2C(=O)N(C)c2ccc(CC)cc21,CHEMBL2171829
+CC(C)(C)OC(=O)n1c(-c2ccc(/C=C/C(N)=O)cc2)cc2ccccc21,CHEMBL234593
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCCCCCCCCCCP(=O)(O)O,bindingdb_417343
+Cc1c(C(=O)OC(C)C(=O)N2CCNC2=O)oc2cc(F)ccc12,CHEMBL4289727
+O=c1c2c(O)c(I)c(O)c(I)c2ncn1-c1ccc(O)cc1,CHEMBL206702
+COc1ccc(F)cc1-c1ccc2c(c1)C(CSCCc1ccccc1)=CC(C)(C)N2,CHEMBL379024
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccncc1,bindingdb_645178
+O=C(O)CC1COc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21,CHEMBL4281316
+CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3920720
+Oc1ccc2c(c1)OCCC(c1ccc(OCCN3CCCC3)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_17512
+COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(F)cc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042813
+O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccnc1)c1cc2ccccc2o1,CHEMBL1385074
+CC1(C)CCC(C)(C)c2cc(C(O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,bindingdb_1175408
+CC(=O)/C=C/c1ccc(Oc2c(-c3ccc(F)cc3C(F)(F)F)sc3cc(O)ccc23)cc1,bindingdb_401627
+COC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CO3)cc1,CHEMBL37672
+Oc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3CCC2)c1,bindingdb_402589
+Cc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C,bindingdb_672416
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2C(=O)NOC2=O)cc1,DB04971
+Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(Cl)cc(OCC(=O)O)cc12,CHEMBL3397341
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263814
+CN1/C(=C\C(=O)c2cccs2)Sc2ccccc21,bindingdb_1000094
+CC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL487930
+Oc1ccc2c(c1)CC[C@H](C1CCC(F)(F)CC1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961214
+C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238286
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCCC2,CHEMBL3740369
+C[C@]1(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)CC[C@H](C(=O)O)CC1,bindingdb_646114
+CCCCCCc1ccc(C(=O)C2CO2)cc1,CHEMBL236543
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(Cl)cccc1Cl)C(F)(F)F,CHEMBL235688
+C=C1c2ccccc2C(=O)N(C)c2ccc(C)cc21,CHEMBL2171911
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(F)ccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650139
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnc([C@H](O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654017
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CC[C@@H](C(=O)N2CCC(O)C2)C3)CC1,bindingdb_652047
+O=C(c1ccc(N2CCN(C(=O)c3cccc(O)c3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL441499
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(C)(C)OCC(N)=O)cc1F,bindingdb_650779
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3ccncc3)c(S(C)(=N)=O)c2)cc1,bindingdb_54964
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)c4ccc(C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017486
+CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1,CHEMBL347927
+N#Cc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CHEMBL3623100
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1F,bindingdb_1017803
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CN1CCN(C(C)=O)CC1,bindingdb_652862
+CN(C)[C@H]1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C[C@H]1F,bindingdb_647405
+O=C(O)Cc1cccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL225937
+C=CCCCOC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL426289
+Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OC(C)(C)C(=O)O,CHEMBL1778840
+O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1,bindingdb_55714
+C=CCOc1ccc(C=CC(C)N=O)cc1,bindingdb_982768
+CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2059541
+CC(C)(C)c1cc(-c2sc(C(=O)NC3CC(C(=O)O)C3)nc2CC2CCCCC2)cc(C(C)(C)F)c1,bindingdb_645083
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(C(=O)O)CCN(Cc3ccccc3)C2)c1,CHEMBL256505
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COCC(=O)O)c1ccccc1,CHEMBL215445
+CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933829
+COc1ccc(-c2cn3ccc4ccccc4c3n2)cc1,bindingdb_672537
+COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)cc1,CHEMBL1088114
+CCc1nocc1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CN(C[C@@H](F)C(C)(C)O)C3=O)CC1,bindingdb_1127358
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(OC)c(OC)c(OC)c3)C[C@@]21C,CHEMBL221545
+N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1,bindingdb_112184
+COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3F)c3nc(OC)ccc23)cc1,CHEMBL462378
+CC1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1,CHEMBL366252
+CCCc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC)cc2)cc1,CHEMBL1080355
+COCC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,bindingdb_648605
+O=C1C=C2CCc3cc(O)ccc3[C@]2(Cc2ccccc2)CC1,CHEMBL78646
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019135
+CCCCCCOc1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1,CHEMBL551779
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCc1cnn3ccccc13)O2,bindingdb_645675
+O=C(c1cc2cnccc2[nH]1)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648535
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL273087
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@H](CC(C)(C)C(=O)O)[C@@H]2C)c(Cl)n1,bindingdb_646824
+CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1,CHEMBL3781465
+CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL197161
+O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3645267
+CCCCCCOc1ccc(C(=O)CCN2CC2C)c(Cl)c1,CHEMBL570776
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(=O)c2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206261
+COCCOc1ccccc1-c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL266491
+Oc1ccc(-c2n[nH]c3cc(O)ccc23)c(O)c1,CHEMBL223026
+Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21,CHEMBL264216
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227440
+COc1ccc(C(C(=O)Nc2ccc(C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1,CHEMBL4212994
+COC(=O)c1c(Cl)c2n3ccccc3c(C)c(-c3ccccc3)c-2c1C(=O)OC,bindingdb_953835
+O=C(CO)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648393
+CC(N=Nc1nc2ccccc2s1)c1ccc(Br)s1,bindingdb_112253
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,CHEMBL302362
+Cc1oc(-c2ccccc2)nc1CCCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL376235
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cc1nnn[nH]1,bindingdb_652021
+CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,bindingdb_1004925
+CC(C)OC(=O)CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C,CHEMBL311802
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_271134
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CCC(N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650424
+CCC(C(=O)OC)n1c(C)cc2c(C(F)(F)F)c(C#N)ccc21,bindingdb_430692
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ncccn1,bindingdb_1004513
+CC(C)NC(=O)[C@@H]1CC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CN1C(=O)[C@H]1CC[C@H](C(=O)O)CC1,bindingdb_648864
+O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2cccc(Cl)c2)c(=O)[nH]1,CHEMBL230989
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C#N)C(C)C)c2=O)nc1,bindingdb_650419
+Cc1cc(C)n(-c2nc(NC(C)(C)C)nc(NC(C)(C)C)n2)n1,bindingdb_584518
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC(F)(F)F)cc2)C1=O,CHEMBL3590269
+Nc1ccc(C(=O)c2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2)c1,CHEMBL4293341
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL602883
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2cn(CC)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_649867
+O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc([N+](=O)[O-])c1,bindingdb_292567
+COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1OC,bindingdb_539933
+Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C,bindingdb_652256
+Cc1nn(-c2ccccc2C(F)(F)F)c2c1C(c1ccc(Oc3ccccc3)cc1)SC(C)C(=O)N2,CHEMBL2037330
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(N3CCS(=O)(=O)CC3)ncc2[nH]1)C(F)(F)F,CHEMBL3126939
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccnc(O)c1,bindingdb_649924
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2F)N1CC(C)(F)F,bindingdb_402011
+C[C@H](n1ccc2c(Cl)c(C#N)ccc21)C(C)(C)O,bindingdb_430665
+Cc1cnc(NC(=O)COc2ccccc2Cl)s1,bindingdb_584004
+O=C(O)Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757586
+Cc1cc(C(=O)NC2=NCCS2)cs1,bindingdb_1000107
+Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL81676
+Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O,CHEMBL4242161
+Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N,CHEMBL3545280
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,CHEMBL3673675
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,CHEMBL1172
+O=C(O)CNC(=O)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647023
+Cc1ccccc1N1CCCN(C(=O)CSCc2c(C)noc2C)CC1,bindingdb_475712
+Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)O)c2n1,bindingdb_91282
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1,CHEMBL3814000
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12)C(=O)O,CHEMBL519351
+CCN(CC)C(=O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL4225156
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)N1CCC(C(F)(F)F)CC1,bindingdb_1183696
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(-c6ccccc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834535
+CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1,CHEMBL3360966
+CCCCCCSc1ccc(C(=O)CCN2CC2C)c(Cl)c1,CHEMBL562507
+Cc1c(C(C)(C)C(O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3818555
+C[C@@H](c1nc2ccc(C(=O)O)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O,CHEMBL4079195
+O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,bindingdb_401084
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1[nH]c(=O)c1ccccc12,CHEMBL4174199
+COc1cc(S(=O)(=O)N2C[C@H](C[C@@H](C(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_649073
+CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(=O)O,CHEMBL178236
+COc1cccc(-c2nc3ccccc3s2)c1O,bindingdb_672358
+CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1085593
+CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(N3CCCCC3)cc2Cl)ccc1O,CHEMBL3613436
+O=C(NS(=O)(=O)CCC1CCOC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018021
+O=C(NS(=O)(=O)[C@@H]1CCC[C@H]1O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018118
+Cc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1,bindingdb_982694
+Cc1ccc(S(=O)Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1,bindingdb_55542
+CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)(C)C,CHEMBL3775712
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2n1C,CHEMBL1940688
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(C)c2)c1,CHEMBL2441094
+COc1cccc(CNC(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c1,CHEMBL1514625
+Cc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1,bindingdb_108546
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(CCS(=O)(=O)CC4)C3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_648387
+CC(C)(C)CNc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL3706911
+C=C1/C(=C\C=C2/[C@H](C)CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,CHEMBL3593365
+CC(C)(Oc1ccc(CCCOc2nc3ccccc3s2)cc1)C(=O)O,CHEMBL2204683
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3ccc(S(N)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654559
+CN(C)c1ccc(NC(=O)c2cnsn2)cc1,bindingdb_55738
+COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,CHEMBL3358455
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(C)c1,CHEMBL3261165
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1080368
+CC(C)CN(c1ccc(C(O)(C#Cc2cccc(C(=O)O)c2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070459
+CCc1cc(C(C)=O)c(OC(C)c2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114113
+O=C(O)CC1COc2cc(OCCCOc3cccc(-c4ccccc4)c3)ccc21,CHEMBL4288513
+Cc1cc(OCc2nc(-c3ccc4[nH]c(=O)oc4c3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1081223
+O=C(O)Cc1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12,CHEMBL253311
+COc1ccc(Cn2nnnc2C(c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1,CHEMBL1342721
+O=C(O)c1ccc(N2C[C@H]3C[C@@H]2C[C@@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018796
+CN(C)C1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_647118
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc4ccccc4c3)cs2)n1)C(=O)O,CHEMBL3094412
+Cc1scc(C(=O)N/N=C/c2ccsc2)c1C,bindingdb_1000130
+CC(C)(C)C1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1,CHEMBL363780
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403818
+CN(C)C1CN(c2nc(C(=O)O)cc3ccc(C#CC45CCC(OCc6c(-c7c(Cl)cncc7Cl)noc6C6CC6)(CC4)CC5)cc23)C1,bindingdb_1018947
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2CCC2)cc1C(F)F,bindingdb_1184154
+O=c1c(-c2ccc(O)cc2)c(Sc2ccc(OCCN3CCCCC3)cc2)oc2cc(O)ccc12,CHEMBL417694
+COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1,CHEMBL1079962
+CN(CC#Cc1ccc(CC(C(=O)O)n2cccc2)cc1)c1ccccn1,CHEMBL477940
+CC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F,bindingdb_760203
+Nc1cccc(-c2nc3ccc(N)cc3s2)c1,bindingdb_584390
+COc1cccc2c1-c1ccc3c(c1C(C1/C=C\CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL48308
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C)(C(=O)OC)c1ccccc1,CHEMBL215904
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(OC(F)F)ccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650136
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cnn(Cc2ccccc2)c1,bindingdb_648487
+CCCCCCc1ccc(C(=O)CCN(C2CCCCC2)C2CCCCC2)cc1,bindingdb_481710
+CC(=O)N1CCN(C(=O)N2C[C@@H](Cc3cccc4ccccc34)[C@H](c3ccc(-c4c(F)cccc4F)cc3)C2)CC1,bindingdb_647507
+O=C(O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192774
+CC(O)(CSc1ccccc1)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1,CHEMBL218181
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC2(CC(F)(F)F)CC2)cc1OC,bindingdb_1183092
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc12,CHEMBL3699366
+O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(Cl)cc4)C2O3)cc1,CHEMBL3589362
+Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764446
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](c1n[nH]c(=O)o1)O2,bindingdb_647646
+CCOC(=O)N1CCC(NC(=O)c2cc3ccccn3n2)CC1,bindingdb_999695
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)cn1,bindingdb_402986
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3CCC2)c(F)c1,bindingdb_403512
+CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cn1,CHEMBL552019
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CCO)CC3)c1Cl)n2C,bindingdb_206356
+COc1ccc(CC(=O)O)cc1-c1noc(-c2ccccc2)c1C(=O)NCCOc1ccc(Cl)cc1Cl,CHEMBL218339
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)c(Cl)c1,bindingdb_1130930
+COc1ccc(C(=O)NNC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1,CHEMBL1349484
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@@H](NC(=O)OC(C)C)Cc2ncc(NC(=O)c3c(F)cccc3Cl)cc21,bindingdb_998231
+CN1CCCC1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1,bindingdb_375343
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CC1,CHEMBL584522
+Cn1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18571
+Cc1c(N2C(=O)O[C@@H](C)[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1Cl,bindingdb_506313
+CN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1,CHEMBL1342384
+Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O,CHEMBL4248967
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183597
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(CN3CCC(N(C)C)CC3)c1Cl)n2C,bindingdb_651060
+O=c1cc(-c2ccccc2)oc2ccccc12,CHEMBL275638
+COc1ccc(C)cc1NC(=O)N(CCc1ccc(SC(C)(C)C(=O)O)cc1)CCc1ccc(-c2ccccc2)cc1,CHEMBL21105
+O=C(O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018886
+CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648639
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1c(-c2ccc(OC)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL218258
+CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C,bindingdb_961292
+Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1,bindingdb_647064
+CCOC[C@H](NC(=O)c1cnc2c(c1)CN(C[C@H]1CC[C@H](C(F)(F)F)CC1)[C@H]2CC)c1ccc(S(=O)(=O)CC)cc1,bindingdb_270632
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CCC(C(=O)O)O2,CHEMBL109731
+Oc1ccc2c3c(cnc2c1)-c1cccc(F)c1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050052
+C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(-c2ccc(Cl)cc2)o1,CHEMBL3640852
+Cc1cnc(-c2ccc(C(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL239353
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_401681
+Cc1cnc(NC(=O)COc2ccc3c(c2)CCC3)s1,bindingdb_1000291
+Oc1ccc(-c2ccc3c(Br)c(O)ccc3n2)cc1,CHEMBL196583
+O=S1(=O)CCC(c2cccc(O)c2)=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc21,bindingdb_402062
+CN(C)CCOc1ccc(/C(=C(/CCC(F)F)c2ccccc2)c2ccc(Br)cc2)cc1,CHEMBL3990391
+CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC/C(C)=C/CC2=CC(=O)C=C(C)C2=O)OC1=O,CHEMBL1668776
+O=C(Nc1ccccn1)c1sc2cccc(F)c2c1Cl,bindingdb_69032
+CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(C)c(C(C)=O)s3)o2)cc1,CHEMBL1589959
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1182964
+Cc1ccc2[nH]c(C(=O)N(Cc3ccco3)C(C)C)cc2c1,CHEMBL3318064
+COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1,CHEMBL1308068
+COC1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)c(C)c4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_648138
+COc1ccc(OC)c(C2c3nnnn3CCN2Cc2ccc(F)cc2)c1,bindingdb_653639
+CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1,bindingdb_112214
+O=C(O)C1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192609
+C#C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(S(C)(=O)=O)cc5C[C@]4(C)C3CC[C@@]21C,CHEMBL45083
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@H](C)N1C[C@@H](C)C(=O)O,bindingdb_402022
+CC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL335992
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6cccc(N)c6)cc5)O[C@@]4(C(=O)SCF)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_430607
+Cc1cc(C(F)(F)F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401691
+Cn1cncc1[C@](O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(C3CC3)c(CN3CCC(C(F)(F)F)CC3)c(Cl)c2c1,bindingdb_653865
+CCCN(C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348908
+CC(=O)Nc1cn(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n1,CHEMBL3598079
+CC[C@@H](C)n1c(=O)c(N[C@H](C)c2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21,bindingdb_650731
+O=C(NCc1ccc2nn[nH]c2c1)c1ccc2c(c1)nc(C(F)(F)F)n2Cc1cccc2c1OC(F)(F)O2,bindingdb_1127382
+CC(C)[C@](O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)C(F)(F)F,CHEMBL3809555
+CC(C)N(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3(C)COC3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168468
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CS(=O)(=O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4128363
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2cnc(NC3CN(CCCF)C3)cn2)N1CC(F)F,bindingdb_401288
+CCC(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F,CHEMBL3819094
+Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(Cc3ccccc3)n2)ccc1OC(C)(C)C(=O)O,CHEMBL515667
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(SCC3CCOCC3)c(C(=O)OC)c2)cc1,bindingdb_55099
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(F)CCOCC1,bindingdb_649460
+O=C(NC1CC1(F)F)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647895
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(CCO)C(C)C,bindingdb_999957
+CCCn1cnc2cc(NCc3ccccn3)ccc21,bindingdb_69270
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(O)C3)CC1,bindingdb_653233
+NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3,CHEMBL1340051
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C[C@@H]2CC[C@H](C(F)(F)F)OC2)n3C)cc1,bindingdb_1127371
+CC(C)c1onc(COc2cc(Cl)ccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL522153
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1,bindingdb_757636
+CC(C)c1cc(Oc2c(Cl)cc(-c3cc(=O)[nH]o3)cc2Cl)nn(C)c1=O,bindingdb_965544
+Cc1ccc(CSc2nc3c(cc2C#N)CCC3)cc1,bindingdb_1026156
+CC(C)(O)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,CHEMBL4215334
+O=P(O)(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,CHEMBL459148
+Cc1cc(SCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL289887
+CC(C)(C)OC(=O)n1c(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc2ccccc21,CHEMBL391854
+CS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2,CHEMBL65221
+Cc1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)n1,CHEMBL2426628
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCC4(COC4)C2)C3)c(F)c1,bindingdb_646721
+CC(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O,CHEMBL3613420
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C(=O)NCc4ccccc4)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4218553
+O=C(O)c1ccc2c(c1)OCC(c1ccc(O)c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c1)=C2,CHEMBL75048
+C[C@]1(C(=O)N2CCC(c3ccccc3)CC2)CCC[C@]2(C)c3ccccc3CC[C@@H]12,CHEMBL194733
+N#Cc1ccc(C(=O)NC[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)cn1,bindingdb_649062
+Brc1ccc(-c2nc(-c3ccccc3)no2)cc1,CHEMBL3589972
+COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)c1,bindingdb_292541
+COc1cc(S(=O)(=O)N2C[C@H](C[C@H](C(N)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646584
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C(C)=O)c2)cc1,CHEMBL3609401
+CCN(CC(F)(F)F)C(=O)c1nc(C(=O)N[C@H]2C[C@H](C(=O)O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_645590
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1,bindingdb_123879
+Cn1c2c(c3cccc(O)c31)CSc1cc(F)ccc1-2,CHEMBL383485
+N#CCCN1C[C@@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1=O,bindingdb_647811
+CC(Cc1ccc(Oc2cc(N3CCN(c4ncccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL561327
+CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1,CHEMBL1556666
+Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccnc2ccccc12,CHEMBL4205065
+CC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21,CHEMBL184228
+O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2,bindingdb_69033
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(I)c(Cl)c1,CHEMBL270586
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4C[C@@H](C)O[C@@H](C)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018418
+CC1(C)C=C(/C=C/C#Cc2ccc(C(=O)O)cc2)C(c2ccc(C(C)(C)C)cc2)=CC1,CHEMBL164176
+CC[C@]1(O)C[C@H]2[C@H]3[C@H](c4ccc(F)cc4)[C@@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CN3C(=O)[C@H]2C1,CHEMBL1256592
+C[C@H]1CN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)CC[C@@H]1C(=O)O,bindingdb_648938
+Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(F)cc2c1OCOC2,bindingdb_539957
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC1(S(C)(=O)=O)CC1,bindingdb_403866
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)no1,CHEMBL1466928
+CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O,CHEMBL1539548
+CC(/C=C/[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,CHEMBL80236
+Cc1c(N2C(=O)[C@@H]3C[C@H](O)CN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL391769
+O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1,CHEMBL1581188
+CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)nc21,CHEMBL1488579
+CC[C@@H]1C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c21,CHEMBL4069357
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1,CHEMBL4207852
+Cc1nnc(Sc2nc(Sc3nnc(C)s3)nc(N3CCN(C)CC3)n2)s1,bindingdb_584208
+N#Cc1cc(O)c(-n2nnc3ccccc32)cc1C#N,bindingdb_112284
+O=C(N1CCC(c2nnn[nH]2)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645351
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)SC(C)(C)N3CC2CCOCC2)cc1,bindingdb_54965
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2,CHEMBL3735203
+Cc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1,bindingdb_760355
+COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C,bindingdb_760230
+C=C1CCCC(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL417729
+Oc1cccc(C2=C(c3ccc(N[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c1,bindingdb_401440
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(N)(=O)=O,CHEMBL3358938
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C(C)(C)CO)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263735
+O=C(O)[C@@H]1[C@@H]2C[C@@H](C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)C[C@@H]21,CHEMBL3950580
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(CCC(=O)O)cc2)c(C(F)(F)F)n1,CHEMBL1209110
+CCNc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)cc1C(C)(C)C,CHEMBL3907274
+CCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706894
+O=C1NC(=O)C(Cc2ccc(OCc3ccc(Br)cc3)cc2)S1,CHEMBL3759133
+CCOc1[nH]c(N=Cc2ccco2)c(C#N)c1C#N,bindingdb_831004
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F,CHEMBL393392
+CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)C[C@@H]1O,bindingdb_988982
+Cc1ccccc1C(=O)Oc1cccc2c(O)cccc12,CHEMBL1599080
+CC(C)[C@@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C#N)cc1,bindingdb_124037
+CC(C)CC1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O,bindingdb_292559
+Cc1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)cc1,bindingdb_760428
+C[C@H](NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(=O)O,bindingdb_651056
+CCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1,bindingdb_112126
+O=C(c1ccccc1C(F)(F)F)c1nc(N2CCC(C(=O)O)CC2)c2ccccn12,bindingdb_998393
+COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(OCc3ccccc3)c(OC)c2)cc1,CHEMBL2385723
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CCS(=O)(=O)CC1,bindingdb_648565
+O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1,CHEMBL1313979
+Cc1cc(CO)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1,CHEMBL3792498
+CC(C)(F)CN1C(c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2ccc3[nH]ncc3c2CC1(C)C,bindingdb_402598
+COc1ccc(Cc2c(Cl)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc3c2Cl)cc1,bindingdb_1184173
+O=C(O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757578
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc43)C2=O)cc(OC)c1,CHEMBL2407647
+O=C(O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL4228649
+Cc1c(NC(=O)c2cc(O)cc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C3CCCC3)C(C)(C)C1)cn2C,bindingdb_648506
+CC(C)(C[C@](O)(Cc1cc2ccc(C#N)cc2[nH]1)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2,CHEMBL1911663
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Sc4cccc(N)c4)cc3)O[C@]12C(=O)CO,bindingdb_17378
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CN1CC(O)C1)O2,bindingdb_646106
+CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1,bindingdb_584224
+CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,CHEMBL465183
+CCCCC12CCC(=O)C(C(F)(F)F)=C1c1ccc(O)cc1C2,CHEMBL208978
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(C)(C)O)CC3)c1Cl)n2C,bindingdb_206311
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(C6CC6)nnn5-c5c(Cl)cccc5Cl)(CC3)CC4)n2)c1,bindingdb_1018303
+Nc1c(/C=N/O)ccc(-c2ccccc2)c1-c1ccccc1,CHEMBL131163
+COc1ccccc1-c1nnc(Nc2nc3c(OC)cccc3s2)o1,bindingdb_760443
+CCN(CC)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1,CHEMBL3828416
+CC(C)[C@@H]1CN(c2cc(F)c(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,bindingdb_1130925
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL248325
+CC(C)(Oc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O,CHEMBL207569
+COc1ccc(OC)c(-c2ncc(C(=O)c3ccc(C(C)(C)C)cc3)n2C)c1,bindingdb_356378
+CC(=O)N1CCC(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_168474
+O=C(CO)N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_653189
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1,CHEMBL2385908
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1,bindingdb_417593
+N#Cc1ccc(C23CC4CC(C2)CC(c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1,CHEMBL3397778
+CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1,bindingdb_91295
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)s3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645181
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2C#N)N1CC1(F)CC1,bindingdb_402328
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1SC2,bindingdb_1019155
+CCCc1cc(C(=O)CC)cc(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL364467
+Cc1ccc(C)c(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccco2)c1,CHEMBL1084320
+CC(C)(C)OC(=O)Nc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)n1,bindingdb_402927
+O=C1COc2ccc(C3=Nn4cnnc4SC3c3ccccc3)cc2N1,CHEMBL1928872
+CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCN3CCCC3=O)ccc12,bindingdb_1777
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(=O)C3COC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCC2,bindingdb_646122
+C=CC(=O)Oc1ccc2c(c1)CCCC2,bindingdb_481555
+CC(C)CCNc1cc(Cl)nc(SC(C(=O)O)c2cccc3ccccc23)n1,CHEMBL1089317
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=N/OC(C)(C)C)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682425
+CCn1nc(C(=O)NC[C@H]2CC[C@H](NCS(=O)(=O)NO)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183948
+Oc1ccc(-c2noc3ccc(O)cc23)c(O)c1,CHEMBL187473
+Cc1ccc(OC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649823
+Cc1ccc(O)c(NC=C2C(=O)c3ccccc3C2=O)c1,bindingdb_526093
+CCCCCCc1ccc(C(=O)CCN2CCOCC2)cc1,bindingdb_481568
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cccnc4)ccc3[nH]2)C1=O,CHEMBL3578286
+CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]5C(=CC[C@H]4[C@]3(C)CC[C@@H]12)C(=O)O[C@H]5O,CHEMBL399743
+CC1(C)Cc2c(sc3c4nnnn4c4nnnn4c23)CO1,CHEMBL1581690
+Cc1ccc2c(N[C@H]3c4ccc(F)c(O)c4[C@H](C)C[C@]3(O)C(F)(F)F)cccc2n1,CHEMBL4098118
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCF,CHEMBL9140
+CC(=O)C[C@]1(C(C)=O)CC[C@H]2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL292284
+CC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094486
+O=C(NS(=O)(=O)C1CCCCC1)c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1,bindingdb_1018337
+CC(C)Oc1c(Cl)nc2ccc([C@@](O)(c3ccc(Cl)nc3)c3cncn3C)cc2c1Cl,bindingdb_646716
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](\[O-])Cc1ccccc1,CHEMBL249225
+Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL77502
+CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O,CHEMBL2263553
+CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](C(=O)O)C1,CHEMBL3398436
+c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1,CHEMBL280106
+CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL1214744
+COc1ccc(Oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C#N)cc3)cc2)cc1,CHEMBL4101125
+C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235209
+Cc1c(O)ccc2c1oc(=O)c1c(Br)cc(Br)cc12,CHEMBL206406
+O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCCc1ccccc1C(F)(F)F,bindingdb_988857
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCC(C)(C)CC3)cc2Cl)cc1)C(=O)O,CHEMBL202739
+O=C(N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)C1(CNCCO)CCS(=O)(=O)CC1,bindingdb_650712
+CCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccc(OCCN2CCCCC2)cc1,CHEMBL432371
+CC(C)CN(Cc1ccc(N2CCC3(CCCO3)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_649376
+Oc1ccc2c(c1F)OCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403863
+c1c2c(cc3sc(N4CCOCC4)nc13)OCCO2,bindingdb_45572
+CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14543
+CC(=O)N1CCC(O)(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650098
+CCCCS(=O)(=O)NC(=O)CC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1017714
+NC(=NOC(=O)c1ccccc1Cl)c1ccccc1,bindingdb_672447
+CCn1c(CC2CCC(C(F)(F)F)CC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_270687
+O=C(Nc1ccc2c(c1)CCCCN2S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F,CHEMBL3617301
+CCc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)nc12,bindingdb_1018937
+Cc1ccnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1,bindingdb_999802
+COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C,bindingdb_356329
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C(C)(N)C(F)(F)F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_647844
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(OC(F)F)c3)c(F)c2)CC1,bindingdb_654476
+COc1nn2c(c1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCC2,bindingdb_651933
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccc(OCCN3CCCCC3)cc12,CHEMBL393179
+O=C(O)/C=C/c1ccc(C2c3ccc(O)cc3CCN2c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL3774777
+CCn1nc(C(=O)NC[C@]2(CO)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)C(F)(F)F)cc1OC,bindingdb_1183500
+CCCOc1ccccc1/C=C/C(=O)c1cc(Br)ccc1O,CHEMBL4284351
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H]3CCC[C@@H]3C#N)c2=O)nc1,bindingdb_652682
+Cc1cc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cc(NS(C)(=O)=O)n1,bindingdb_650155
+Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncs1,bindingdb_1184163
+CC(C)S(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL595344
+N[C@H](c1ccc(O)cc1Cl)[C@@H](NC=O)c1ccc(O)cc1Cl,CHEMBL354219
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1,CHEMBL178513
+NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(c2cnn[nH]2)CC1,bindingdb_989007
+Cc1occc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,bindingdb_760639
+Nc1nc2ccc(N3CCOCC3)cc2s1,bindingdb_112285
+COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)c(C(C)C)c1,bindingdb_403470
+CC(C)(O)CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4214210
+COc1ccc(C[C@H]2[C@@H](OC(C)=O)[C@H](O)CN2C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)cc1,bindingdb_649172
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1CCC(=O)O,CHEMBL237730
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)Nc2cccc(OC)c2)c1,CHEMBL4165140
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(OCc2cccc(S(C)(=O)=O)c2)c1,CHEMBL596381
+c1ccc(-c2cccc(-c3ccccn3)n2)nc1,bindingdb_760383
+O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1,bindingdb_584068
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,bindingdb_760339
+C=CCC1Oc2cccc(OC(F)F)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267231
+CCN(CC)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,bindingdb_168594
+Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12,CHEMBL3678130
+O=C1ON=C(c2ccc(F)cc2)/C1=C/c1ccc(N2CCCC2)cc1,CHEMBL330478
+CCOC(=O)CSC1=C(C#N)C(c2ccc(C)o2)CC(=O)N1,bindingdb_55583
+NC(=O)COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_652938
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOc4ccc(F)cc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018525
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2cnc(C(F)(F)F)nc2)[C@H]3C(C)C)cc1,bindingdb_1127488
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(OC[C@H](C)O)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645967
+Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)c(F)c2)cc1F,CHEMBL4282219
+O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C5CC5)cc(F)c43)c2Cl)CC1,bindingdb_206650
+COc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,CHEMBL180085
+N#Cc1cc2c(nc1SCc1ccccc1)CCC2,CHEMBL1423417
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Br)cc21,CHEMBL199530
+Cc1c(C(O)(C2CC2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3818706
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)CC1c1ccccc1,bindingdb_68690
+O=C(NS(=O)(=O)C1CCOC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018085
+CC(C)(O)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646876
+C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@@]43CC(=O)O5)[C@@H]1CC[C@@H]2O,CHEMBL245771
+CCOC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)C2C(C)C)nc1C(F)(F)F,CHEMBL3673709
+C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961262
+CCCCCCc1ccc(C(=O)CCN(C)CCc2ccccc2)cc1,CHEMBL235252
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DB09095
+CCCCCOc1c(Br)cc(CC(=O)O)cc1Br,CHEMBL193152
+COc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL473096
+O=C(NC1=NCCS1)C1COc2ccccc2O1,bindingdb_583971
+CS(=O)(=O)Nc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,bindingdb_651919
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-n4cnnc4)cc3Cl)ccc21,CHEMBL220990
+Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)O,CHEMBL1075893
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccc(C#N)cc3)c2)cc1,CHEMBL3109231
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_25292
+CCN(CC(=O)NC(C)(C)C)Cc1nc(O)c2cc(Br)cc(Br)c2n1,CHEMBL1430235
+CCOc1ccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)cc1,bindingdb_652054
+Cc1nn(CC(C)C)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337824
+CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,bindingdb_1131060
+C#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12,CHEMBL440757
+C[C@@H](Oc1cc(Cn2c(=O)n(-c3nc4ccc(Cl)cc4s3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O,CHEMBL1946569
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3)OC[C@@]21C,CHEMBL564310
+CCC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,CHEMBL3673680
+Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(C(=O)O)CCC2)c1,CHEMBL560830
+CC[C@H]1c2cc3c(C(F)(F)F)cc(=O)oc3cc2NC[C@H]1C,CHEMBL2112311
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C4CC4)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_648553
+CCCO/N=C/c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL3397552
+CCCc1c(OCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12,CHEMBL118887
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934476
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)cc1F,bindingdb_1017742
+C[C@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@@H]1c1ccc(O)cc1,6c42
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)NC)CC[C@@H]23)[C@@]2(C)CC[C@@H](OC(=O)C(F)(F)F)C[C@@H]12,bindingdb_1017668
+COC(=O)CCCCCCCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,CHEMBL3979648
+Oc1ccc(C(=Nc2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3234612
+O=C(O)c1cc(F)c2nc(OCC34CCC(C=Cc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1019040
+CCc1cc(CN2CCC3(C2)CS(=O)(=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C,bindingdb_206382
+Cc1c(Br)ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C,bindingdb_953858
+CCc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1,CHEMBL1928883
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)nc2)[C@@H]3C(C)C)cc1,bindingdb_1127455
+CCOC(Cc1ccc(OCc2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)cc1)C(=O)O,CHEMBL1079669
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)F,bindingdb_645274
+Cc1cc2cc(C(=O)N[C@@H](C)c3ccc(Br)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3695859
+Oc1ccc(C2Cc3ccc(O)cc3NC2=S)cc1,CHEMBL240160
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1,CHEMBL1917247
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCc4[nH]ncc4C2)C3)c(F)c1,bindingdb_651017
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL384975
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,DB00393
+Oc1ccc2c(c1)CCCC(c1cnc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402818
+CCCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL276621
+COc1cc(/C=C2\C(=O)C(C#N)=C3C=CC=CN32)ccc1O,bindingdb_999854
+CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1,bindingdb_89235
+CC(=O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,DB15647
+O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc43)cc2)S1,CHEMBL4127761
+CCCc1c(OCCCN(C(C)=O)c2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12,CHEMBL207093
+CC1(C)OCC(=O)Nc2ccc(-c3ccccc3F)cc21,CHEMBL486499
+COC[C@](C)(F)CN1[C@H](c2ccc(OC3CN(CCCF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402683
+CCN(CCOC)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143238
+C1CCC(c2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)CC1,CHEMBL1582133
+O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,CHEMBL8260
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)CC1c1ccccc1Br,bindingdb_108435
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3F)cc21,CHEMBL381719
+CC(C)(O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_93241
+COc1cc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC,CHEMBL3623109
+Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2=O)cc1,bindingdb_584148
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,bindingdb_112234
+O=S(=O)(c1ccc(O)cc1)N(c1ccccc1)C1CCCCC1,CHEMBL382873
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3799866
+COC(=O)c1cc2c(-c3ccccc3)c(C)c3ccccn3c-2c1C(=O)OC,bindingdb_953937
+C=CCN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL429572
+C=C(COc1ccc(Cl)c(C(F)(F)F)c1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL512715
+O=C1COc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SC3)cc2N1,bindingdb_401063
+CC1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5c(F)cccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652652
+CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@H](CC)C(=O)O)cc1,CHEMBL1813202
+CC(C)c1nc2sc3c(=O)[nH]c(=S)[nH]c3c2c2c1CCCC2,bindingdb_953763
+C[C@H]1CC(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCC(O)CC2)C3)=CC[C@H]1C(=O)O,bindingdb_645860
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(-c2nn(-c3ccccc3)nc2CC(=O)O)cc1,CHEMBL489507
+Oc1ccc2oc(-c3ccc(O)c(F)c3)nc2c1,CHEMBL360817
+N#Cc1cccc2c(O[C@H]3CC[C@H](NC(=O)c4cccc(F)c4)CC3)ccnc12,bindingdb_476092
+Oc1ccc(C2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL56306
+C#Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1,CHEMBL3763811
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCc3ccccc3)c2)c(Br)c1,bindingdb_481711
+CC[C@@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2CC)cn1)C(F)(F)F,bindingdb_1182659
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)Nc2ccn(CC(F)(F)F)n2)C3)CC1,bindingdb_649980
+Cc1ccc(C(=O)c2nc3ccccc3n2C/C=C/c2cccc(OCC(=O)O)c2)cc1,CHEMBL1760554
+O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4086436
+OC[C@H]1CCC[C@@H](c2ccc(O)cc2)CC1,CHEMBL3099433
+Oc1ccc(C2=C(c3ccccc3)c3ccc(O)cc3C2)cc1,CHEMBL48352
+Cc1cc(C23CCC(CN(C(=O)C4CCC(F)(F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)ccn1,bindingdb_1019109
+OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1183253
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,DB13943
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL219586
+Cc1cc(F)cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1,CHEMBL4164018
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCC2)c(OC(F)(F)F)c1)C(F)(F)F,bindingdb_650392
+CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL477627
+CCC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)CC1,bindingdb_650414
+Cn1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_107855
+Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)c3)cc12,CHEMBL3695905
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647225
+Cc1cc(C(F)(F)F)cc2c1c(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c1Cl)cn2C,bindingdb_206579
+CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,CHEMBL388590
+COc1ccc(C(=O)/C=C2\Sc3ccccc3N2C)cc1,bindingdb_672523
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(=O)(=O)NC(=O)NC)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183800
+Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3798965
+C=CC(=O)c1ccc(CCCCCCC)cc1,CHEMBL237035
+O=C(CCCC[C@@H]1CCSS1)NCCOc1ccc(CC2=[SH]C(=O)NC2=O)cc1,6dgq
+Cc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1,CHEMBL3589973
+Fc1ccc(NCc2cccnc2)cc1F,CHEMBL1299808
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@H]12,CHEMBL403039
+COc1cc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc(OC)c1O,CHEMBL1210880
+O=C(O)c1cc(F)cc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c1,bindingdb_1018510
+C1=C(N2CCOCC2)/C(=C/c2nc3ccccc3[nH]2)CC1,CHEMBL1505049
+O=C(c1cc(F)cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1)N1CCOCC1,CHEMBL3793403
+CC1(O)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21,CHEMBL1289011
+CCc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1,CHEMBL410705
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,CHEMBL549889
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3CCCCC3)CC2)cc1)c1ccccc1,bindingdb_375352
+CC(C)COc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672467
+OCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21,CHEMBL394338
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB01185
+O=C(C(O)C1CCOCC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647848
+O=S(=O)(c1ccccc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1Cl,CHEMBL1090569
+Cc1ccccc1[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)nc1,bindingdb_125962
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H](CCN1CCCC1=O)O2)C(F)(F)F,bindingdb_645499
+CCCn1nnnc1/C=C/c1ccc(Oc2c(-c3ccc(F)cc3C)sc3cc(O)ccc23)cc1,bindingdb_402049
+CCN(CC1CCC2(CC1)COC2)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_652952
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cc(OC)cc(OC(F)(F)F)c2)cc1,bindingdb_270507
+CC(=O)Nc1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846241
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1F,bindingdb_402006
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O,CHEMBL3590268
+Cc1ccc(COc2cccc(OCCCOc3ccc4[nH]cc(CC(=O)O)c4c3)c2)cc1,CHEMBL3597400
+CC(C)(Oc1cccc(CCCN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL395924
+O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCc1ccc(-n2cccn2)cc1,bindingdb_1003750
+O=C(Cc1ccncc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646786
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2326845
+O=C(O)CCSc1nc2ccccc2s1,bindingdb_584107
+C/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL3774660
+CCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC)c(OC)c3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12,CHEMBL3403711
+Cc1c(F)cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(S(C)(=O)=O)cc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168482
+CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,CHEMBL194745
+CCCCn1c(=O)c2ccccc2c2cc(CC)ccc21,CHEMBL1092222
+CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)O,CHEMBL402161
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1OC(C)(C)C(=O)O,CHEMBL392058
+Cc1cccc(S(=O)(=O)N2C[C@H](C)Oc3ncc(NC(=O)C(C)c4ccccc4C)cc32)c1,bindingdb_998174
+COC1CN(C(=O)NC2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_654667
+O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1,bindingdb_54884
+CC1(C)[C@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O,CHEMBL1076438
+Oc1cc(F)c(-c2ccc3cc(O)ccc3c2)c(F)c1,CHEMBL192621
+CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760425
+Cc1ccc(-c2ccc(OCCCN3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2)cn1,bindingdb_511727
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801009
+COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1O,CHEMBL469824
+Cc1nc(CN2Cc3sc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)nc3[C@@H]2C(C)C)ccc1C#N,bindingdb_270908
+CCCN(Cc1ccc(N2CCN(C(C)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317839
+CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3ccc(C(C)C)cc3)n2)cc1)C(=O)O,CHEMBL189146
+CC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1cccc2ccccc12,CHEMBL3678092
+COc1cccc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc12,CHEMBL1343011
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(C)cc2C(=O)O)cc1,CHEMBL474158
+CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1,bindingdb_112177
+COc1ccc(CCNc2nc(C)nc3c2oc2ccccc23)cc1OC,bindingdb_760261
+O=C(O)C1CCN(S(=O)(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)CC1,bindingdb_652956
+CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1086261
+COc1cccc(CCc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)c1,CHEMBL575008
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Cl)C(F)(F)F,CHEMBL237595
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCC6CCN(C(=O)CCC7=[N+]8C(=Cc9c(C)cc(C)n9[B-]8(F)F)C=C7)C6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4068864
+CCCc1cc(C(=O)c2ccccc2)cc(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL366207
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)Cc1ccc(F)cc1,CHEMBL569100
+Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(Cl)cc2)cc1,CHEMBL458597
+Cc1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1,CHEMBL3209128
+CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C)on1)OCO3,bindingdb_953793
+COc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL1215130
+CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1,CHEMBL554562
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Cl)cc1,CHEMBL1163746
+COC(=O)Cc1c[nH]c2ccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc12,bindingdb_1004699
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)C(F)(F)F)O2)C(F)(F)F,bindingdb_651712
+O=C1COc2ccc(-c3c(C(F)(F)F)cnn3-c3ccc(F)cc3)cc2N1,CHEMBL1929031
+CS(=O)(=O)c1ccc(-c2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,CHEMBL1098402
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)c(Cl)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_17629
+COC(c1ccc(C(F)(F)F)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,CHEMBL3103195
+C[C@H](CCNC(=O)OC1CCCCC1)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138339
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccnc3)cc12,CHEMBL3585577
+O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2)c1c(F)cccc1Cl,5apj
+O=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,bindingdb_539837
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182820
+CN1CCN(C[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(N(C(=O)[O-])C(C)(C)C(F)(F)F)ccc3O2)S1(=O)=O,bindingdb_652573
+CC1=C[C@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1,CHEMBL510373
+Cc1cc([N+](=O)[O-])ccc1C#CC(O)(c1ccc(N(CC(C)C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,CHEMBL2069319
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)cc3F)n2)c1,CHEMBL1087336
+C[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1,bindingdb_645606
+COC(=O)CCc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1,CHEMBL4218638
+COc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(OC)c2)n1,bindingdb_988746
+COc1cccc(-c2nc(-c3cccs3)no2)c1,bindingdb_672361
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2cccc3[nH]ccc23)c(C)c1,CHEMBL3261169
+CN(C)CC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1,bindingdb_652433
+Cc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168520
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccsc4)cc3)ccc21,CHEMBL375748
+CCOc1ccc(NC(C)=O)cc1Cl,CHEMBL4166708
+CC1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C1CC1,CHEMBL2419296
+O=C(O)c1ccc(-c2nn(C(=O)c3c(C4(C(F)(F)F)CC4)ccc(F)c3Cl)c3cccnc23)c(F)c1,bindingdb_646423
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)OC2)[C@H]3C(C)C)nc1,bindingdb_271155
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](C(F)(F)F)N3CC(F)(F)F,CHEMBL401805
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_401519
+CC(C)[C@H]1CN(c2ccc(CCO)c(S(C)(=O)=O)c2)CCN1C[C@@H]1CCN(CC(F)(F)F)C1,bindingdb_1130875
+O=C(Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12)C(F)(F)F,CHEMBL3622581
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081045
+CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O,bindingdb_402843
+CCOc1nn(CC)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNS(C)(=O)=O)[C@H]1C,bindingdb_645063
+Cc1nc(-c2ccc(O)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL376050
+CC(C)(O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL312041
+Cc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)c1,CHEMBL4073181
+CCCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1080108
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(SC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402717
+CCCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1cccc(C(C)C)c1,CHEMBL3736501
+Cc1cc(SCC(COc2ccc(C(F)(F)F)cc2)OCc2ccccc2)ccc1OCC(=O)O,CHEMBL230605
+C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2F)CO1,CHEMBL4086109
+CCn1cc(S(=O)(=O)N2C[C@H](C(NC(C)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645173
+NC1=NC(=O)C(=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,bindingdb_89262
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccncc2)c1,CHEMBL391283
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccccc3Cl)c1)CCC2,CHEMBL2312270
+Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2,CHEMBL1334062
+Cc1[nH]nc2c1C(c1ccc(-c3ccc(Cl)cc3)o1)C(C#N)C(=N)O2,bindingdb_112075
+CCCCCCOc1ccc(C(=O)C(C)CN(C)C)cc1,CHEMBL570307
+Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL38943
+CCS(=O)(=O)c1ccc([C@@H](O)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271053
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)(F)F)N3CC(F)(F)F,CHEMBL256330
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ncc(C#N)cc2F)[C@H]3C(C)C)cc1,bindingdb_270906
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2cccc(-c3ccccc3)c2)cc1,CHEMBL477298
+Oc1ccc(C2CCc3cc(O)ccc3N2)cc1,CHEMBL293599
+CC(C)(O)C1CCC(C(=O)N2CCN(c3cccc(S(=O)(=O)F)c3)CC2c2ccccc2)CC1,bindingdb_1143330
+Cc1cn(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)c(C2CC2)n1,CHEMBL522572
+Cc1c(-c2ccc(Cl)cc2)cccc1N(CCCC(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760410
+c1cncc(-c2noc(-c3ccc4ccccc4c3)n2)c1,bindingdb_999649
+CCC(Oc1cccc(CN(CCCOc2ccc(O)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL246510
+CC(=O)N1CCN(C(=O)N2C[C@@H](S(=O)(=O)c3ccc(F)c(-c4cnn(C)c4)c3)[C@H](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_645993
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_654408
+COC(=O)C1(c2ccccc2)CCCCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL383945
+CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2,CHEMBL2331648
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)CO,bindingdb_1054367
+O=C(O)CNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,CHEMBL193864
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2ccnc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_647548
+CC(C)(C[C@H]1CN(S(=O)(=O)c2cn(C3CC3)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648074
+COCCNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_646187
+Nc1c(C(=O)NCC(O)(CNC(=O)c2c(F)cccc2F)C(F)(F)F)cnn1-c1ccc(F)cc1,CHEMBL465920
+CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL390116
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1csc2ccccc12,CHEMBL363760
+Cc1cc(Cl)cnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1,CHEMBL4167731
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(OC(F)C(=O)O)c(C(C)C)c1,CHEMBL1927475
+COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)NS(C)(=O)=O,CHEMBL3263766
+CC(=O)Nc1nc(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)s1,CHEMBL3598077
+CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL455876
+Oc1cccc(-c2nnc(-c3cccc(O)c3)nn2)c1,bindingdb_1000183
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2CN(C(=O)OCC(C)C)CCC2CC(=O)O)c1,CHEMBL255097
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)(C)C)cc1,CHEMBL233038
+O=C(C1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(O)(CO)CC1,bindingdb_649397
+Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1,bindingdb_672397
+O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/O)cc1,CHEMBL3397548
+COc1ccc(OC)c(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)c1,bindingdb_646763
+CC(N=Nc1nc2ccccc2s1)c1cccs1,bindingdb_999827
+CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S,CHEMBL329471
+COc1cncc(Cl)c1-c1noc(C2CC2)c1/C=C/C12CCC(c3ccc(C(C)(C)C(=O)O)cc3)(CC1)OC2,bindingdb_1018125
+O=C1NC(=O)C2(CCN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)C2)N1,bindingdb_655024
+O=C(O)c1cc(C(F)(F)F)cc(COCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1017806
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3F)oc2C)c1)C(=O)O,CHEMBL380404
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccccc3Cl)s2)cc1,CHEMBL3105681
+CCCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1F,CHEMBL465927
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2Cc2cccnc2)c1Cl,bindingdb_168570
+CCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL425092
+Cn1nnc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc21,bindingdb_404026
+Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(C)(=N)=O)c2)c(C)c1,bindingdb_206583
+O=C(O)COc1ccc(SCc2ccccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2,CHEMBL234665
+Cc1ccc(-c2nn(C(C)C)cc2C(=O)N(C)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1,CHEMBL3264988
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2C1=O,bindingdb_1127494
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@](c3ccc(-c4c(F)cccc4F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650345
+Cc1c(O)ccc2c1oc(=O)c1cc(O)ccc12,CHEMBL206600
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC4(COC4)C2)C3)c(F)c1,bindingdb_648928
+CC(C)(O)C(C)(C)n1ccc2c(C#N)c(C#N)ccc21,bindingdb_430672
+CN(C)CCOc1ccc(/C(=C(/CCCC#N)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL204697
+COC(=O)c1cc2c(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)cccc2[nH]1,bindingdb_109232
+COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)Nc2cccc(C(=O)O)c2)c1,CHEMBL3335668
+CC(C)Cc1c2c([nH]c(=S)c1C#N)CCCC2,bindingdb_87270
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cscn2)c1,CHEMBL241286
+COc1cc2ccc1-c1ccccc1CCc1ccc(cc1)Oc1cccc(c1)CC2,CHEMBL258490
+CC(C)(OC(=O)Nc1cc(F)c2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_650230
+Cc1ccc2nc(-c3ccccn3)c(NCc3ccccc3)n2c1,CHEMBL4102799
+C=C(CNc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL469534
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)ccc21,CHEMBL199559
+Cc1nn(-c2ccc(C#N)cc2Cl)c(C)c1Cc1ccc(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1,CHEMBL4227353
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(O)C(C(=O)O)C3)c1Cl)n2C,bindingdb_650299
+CCCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1,CHEMBL205070
+Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_401010
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4Cl)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650274
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OCc2nn[nH]n2)cc1,CHEMBL254540
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL412371
+Fc1cc(Cl)ccc1C1c2nnnn2CCN1Cc1cccc(Br)c1,bindingdb_651296
+O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1,CHEMBL1604803
+CCOc1cc(C(=O)O)nc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018107
+Cc1cc(C#N)c(C(F)(F)F)cc1N1C(=O)C(C)(C)N(CCCS(N)(=O)=O)C1=S,CHEMBL1094117
+CCCCCCC[C@@H]1S[C@@H](CC(=O)N(Cc2ccccc2)Cc2ccccc2)C(=O)N1CCCCc1ccc(C(=O)O)cc1,4prg
+CC(C)(O)[C@H](F)CNC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(Cl)nc1,bindingdb_646329
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@@H](O)CC1,bindingdb_646128
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)OC[C@@]21C,CHEMBL549896
+CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC,CHEMBL3233273
+N#Cc1ccc(N2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)cc1C(F)(F)F,CHEMBL427721
+COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2OC1=O,CHEMBL455853
+CNC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270583
+CON(C)C(=O)c1cnc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654327
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654724
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(CC)CC)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963508
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(OCC(=O)O)cc1,CHEMBL294807
+CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CS2)=C\C(=O)O,CHEMBL330998
+CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NCC3(O)CCS(=O)(=O)CC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_646412
+O=C(O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1,bindingdb_646919
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL221201
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ncc(OC(F)F)cn1,bindingdb_1130842
+C=Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12,CHEMBL197757
+O=C(O)CCC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,CHEMBL372428
+CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)C1CCCCC1,bindingdb_69099
+CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1,CHEMBL4100995
+CCOC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,CHEMBL1334633
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(SC(F)(F)F)cc1F)CC2,bindingdb_403740
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C#N)cc2[nH]1)C(F)(F)F,CHEMBL1911654
+CC1(O)CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_654157
+O=C(O)Cc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1,CHEMBL206895
+COc1ccc(O)c(C(=O)/C=C/c2ccccc2OC)c1,CHEMBL4289590
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(NC(N)=O)cc1,bindingdb_651265
+Fc1ccc(-c2csc(N3CCOCC3)n2)cc1,CHEMBL1391700
+CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)sc2c1,bindingdb_108517
+CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933831
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1,CHEMBL1089501
+Cc1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337732
+COc1ccc2c(c1)c(C)c(-c1ccc(O)cc1)n2Cc1ccc(OCCN2CCCCC2)cc1,CHEMBL3657137
+Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)O,CHEMBL330756
+N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,DB00509
+CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,CHEMBL227394
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C)cc(O)nc3c2)cc1)C(=O)O,CHEMBL206285
+CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)CC1,bindingdb_17633
+CN(Cc1ccccc1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F,CHEMBL2070096
+Oc1ccc2c(c1)CCCC(c1ccc3c(c1)NCCC3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403795
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1CC1CCC(O)(C(F)(F)F)CC1,bindingdb_1130716
+Cc1ccccc1N1CCN(C(=O)C#Cc2ccccc2)CC1,bindingdb_475832
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2ccc(O)cc2)c1,CHEMBL577573
+Cc1cc(-c2nc3cc(F)ccc3s2)ccc1N,bindingdb_672512
+O=C1c2ccccc2C(=O)N1c1ccc(CCc2ccc(O)c(O)c2)cc1,CHEMBL574086
+CC[C@H](Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL247749
+CCCCCCc1ccc(C(=O)CC)cc1,bindingdb_26658
+COc1cccc(-c2csc3nnc(SCC(=O)c4ccc(NC(C)=O)cc4)n23)c1,CHEMBL1476478
+C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,DB14011
+Cc1ccc(C2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1,bindingdb_950141
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(F)cccc3[nH]2)C1=O,CHEMBL3578291
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12,CHEMBL3695893
+O=S(=O)(Oc1ccccc1C(F)(F)F)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4209027
+Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1C,bindingdb_292539
+CC(C)(C(=O)NC(=O)NC1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315059
+COc1ccc(C2=Cc3ccc(C(=O)O)cc3OC2)cc1C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3,CHEMBL75732
+CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(OC)c(OC)c1,bindingdb_539885
+COc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1,CHEMBL3938567
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3SCC2)cc1,bindingdb_404020
+C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2cccc(F)c2)CO1,CHEMBL4063566
+CCOc1ccccc1C1c2c(-c3ccccc3)noc2N=C(N)C1C#N,bindingdb_961184
+Cc1cc(/C=C/C(=O)c2cnc3ccccc3c2)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1003698
+CC(C)(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,CHEMBL225884
+CCN(CC)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183609
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1CCO,CHEMBL3622994
+Cc1csc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C3)n1,CHEMBL4062302
+O=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br,CHEMBL1399039
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(OC(F)F)cc1,bindingdb_653960
+Oc1ccc2c(c1)SCC(c1ccc(SC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403116
+O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,DB13174
+CCN(CC)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1,bindingdb_1183804
+O=C(NCc1cccs1)c1noc2c1CCCC2,bindingdb_1004936
+COC1CN(C(=O)C2CCc3c(C4=CCC(C(=O)OC(C)(C)C)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_646539
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-],CHEMBL2348885
+COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCCN2CCCC2)cc1,CHEMBL469510
+CCN1C(C(C)(C)Oc2ccc(Cl)c(F)c2)=NC2C=C(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)C=CC21,bindingdb_648930
+Oc1ccc2c(c1)CCCC(c1ccc(SC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404167
+CC(C)(O)CCNC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652537
+COc1cccc(C(=O)Nc2cccc(Oc3cccc(O)c3)c2)c1,CHEMBL4169303
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C[C@@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653660
+COCCS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1(OC)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_647988
+Oc1ccc2c(c1)CCCC(c1ccc3nonc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401040
+CCC(Oc1cccc(CN(CCCOc2ccc3c(c2)OCO3)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL429824
+Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)c3ccc(Cl)cc3)c(Cl)c12,bindingdb_18605
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNS(C)(=O)=O)Oc2c(F)cc(NC(=O)OC(C)(C)C)cc21,bindingdb_647186
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018392
+Cc1nc2ccc(S(=O)(=O)n3c(CCCC(=O)O)cc4cc(Cl)ccc43)cc2s1,CHEMBL4072143
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)C(=O)C1,bindingdb_647521
+CCCCCCn1c(C#N)ccc1-c1ccc2oc(=O)ccc2c1,CHEMBL3928231
+Oc1c(CN2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12,bindingdb_45550
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3678144
+CC1(C)CC2(CC(C)(C)C3C=CC(O)=CC32)C2C=C(O)C=CC21,bindingdb_78777
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1,CHEMBL3335629
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ncc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206634
+CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1,CHEMBL1532971
+Cc1cc(OCCCOc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O,CHEMBL4281724
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccoc3)ccc12,CHEMBL522366
+O=C(O)c1cc(C2CCCC2)c2nc(N3C[C@H]4C[C@@H]3C[C@@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018958
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1C(N)=O,CHEMBL2147562
+C[C@H](CO)NC(=O)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)F)s1,bindingdb_1183000
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(O)CC1)O2)C(F)(F)F,bindingdb_648759
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1COCCC1O,bindingdb_646860
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n([C@H](C)COC)c2=O)nc1,bindingdb_645764
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC(O)C2)C3)c(F)c1,bindingdb_646935
+C=Cc1cc(OC)cc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL381622
+Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCCC3)c(Br)c2)cc1,CHEMBL124482
+Cc1cc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cnc1NS(C)(=O)=O,bindingdb_649445
+COC(=O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018548
+CCCCCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL255426
+C/C=C(/C=C/C=C/C=C(C)\C=C1/CCCC(CC)=C1C(C)C)C(=O)O,CHEMBL2111557
+O=C(N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12)C12CCCC(O)(CCC1)C2,bindingdb_650057
+C[C@H](CN1CCOCC1)n1/c(=N\C#N)[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc21,CHEMBL4099276
+CCCCCCCCCCCCCCCCCCCC(=O)O,CHEMBL1173381
+CC(C)(O)c1cnc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)cc1F,bindingdb_475878
+CC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_652127
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCCCC(=O)NO)nn1,bindingdb_475648
+CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_651849
+CCC(C)(C)NC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL506241
+COc1cccc(OCc2nnc(SCC(=O)NCc3ccco3)n2CCc2ccccc2)c1,CHEMBL1565048
+Cc1oc(-c2ccccc2)nc1Cc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1,CHEMBL256013
+C[C@H](Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1)NS(C)(=O)=O,bindingdb_653583
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC2CCC(C(F)(F)F)CC2)cc1OC,bindingdb_1183063
+CC(C)Cc1c(C#N)c(S)nc2c1CCCC2,CHEMBL1477452
+CC(C)c1cc(Cc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)nn(C)c1=O,CHEMBL3261334
+COc1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1,bindingdb_69022
+COc1ccc(CN2CCn3nnnc3C2c2cccc(F)c2)c(OC)c1,bindingdb_646081
+Cc1oc(-c2ccccc2)nc1Cc1cccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)c1,CHEMBL404439
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1,CHEMBL1165642
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\O,CHEMBL250822
+CC(C)(O)C12CCC(C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)(CC1)C2,bindingdb_651383
+Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,DB00737
+CCn1cc(CNC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)cn1,bindingdb_645527
+Cc1cc(C)cc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c1,CHEMBL464496
+CC(C)C1Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21,bindingdb_953807
+CC(=O)c1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL183889
+C[C@@H]1C[C@@H](C)OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL195451
+O=C(CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1)OCCN(CCO)CCO,bindingdb_1018555
+O=c1[nH]c2nc(SCc3ccccc3)ncc2c(=O)n1-c1ccc(Cl)cc1,bindingdb_1026125
+CCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)c(C)c1,CHEMBL509680
+NC(=O)c1cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)ccc1F,CHEMBL3596597
+CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL391622
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnnc4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_650280
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206604
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(Cl)c(Cl)c2)cc1,CHEMBL1081729
+Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)cc2)cc1,CHEMBL404467
+Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccoc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL472571
+CC(=N)/C(C#N)=C(/O)CSc1nnc(NC(C)C)s1,CHEMBL3195986
+CC(C)c1onc(CSc2nnnn2C)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL468734
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCC(=NO)CC1,bindingdb_647456
+Oc1ccc2c(c1)SCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404088
+COc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911148
+CC(C)(Oc1cccc(CCCN(C(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O,CHEMBL101123
+CC(C)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,bindingdb_651988
+COc1ccccc1C=NN=C(N)c1ccccn1,bindingdb_1000372
+CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL53746
+Cc1ccc(NC(=O)C2CC(=O)Nc3nncn32)cc1,bindingdb_672509
+COc1ccc(C2Oc3ccc(O)cc3C(=O)C2C)cc1,CHEMBL114519
+CCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415524
+CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(C(C)C2CC2)n1,CHEMBL3598300
+C[C@@H]1CCN(CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)C1,CHEMBL437695
+Cc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)ccc12,bindingdb_1770
+COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1,CHEMBL1385373
+CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3932169
+C[C@]1(c2cccc(Cn3c(=O)n(-c4noc5cc(Cl)ccc45)c4ccccc43)c2)OC(=O)NC1=O,CHEMBL1947145
+C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_403346
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183059
+C[C@](O)(COc1ccccc1F)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238276
+CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O,CHEMBL281608
+Brc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1,bindingdb_651272
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,CHEMBL389481
+CC(C)(C)c1ccc(CCCNC(=O)c2ccc(O)cc2)cc1,CHEMBL4218028
+CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)O,CHEMBL387914
+O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)Nc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1,CHEMBL126693
+Cc1cc(C(F)(F)F)cc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCC(N(C)C)CC4)c3Cl)cc12,bindingdb_654831
+Oc1cc(Br)c2oc(-c3ccc(O)c(F)c3)nc2c1,CHEMBL187207
+Cc1c(CC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3126373
+CCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(COc2cccc(S(C)(=O)=O)c2)c1,CHEMBL604905
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CCN(CC(F)(F)F)C3)[C@@H](c3ccccc3)C2)c1,bindingdb_124665
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)N(CCCl)CCCl)O1,CHEMBL3273976
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1,CHEMBL1801006
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL691
+CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1,CHEMBL495196
+CC(=O)N1c2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc2CC1(C)C,bindingdb_400929
+CC(C)OC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210842
+CS(=O)(=O)c1cc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)ccc1CO,bindingdb_58949
+N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2,CHEMBL1306635
+CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2=O,CHEMBL215409
+CCCCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1,CHEMBL4247044
+Cc1cccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)c1C,CHEMBL3645264
+CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_651260
+Cc1c(Cl)cccc1NC(=O)C1S/C(=N\c2ccccc2)C(c2nc3ccccc3s2)=C1N,bindingdb_112103
+C=CCn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21,DB08047
+Cn1c(-c2ccc(COCCO)cc2)cc2onc(-c3ccccc3)c2c1=O,CHEMBL399807
+O=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1ccc(F)cc1,CHEMBL3623098
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CCOCC2)cc1Cl,CHEMBL563154
+Cc1cc(SC(CCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037578
+COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,CHEMBL293776
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,CHEMBL328190
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccc(CN)c3)cc12,CHEMBL3695820
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(C)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183578
+CCn1cc(C#CC(O)(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cn1,CHEMBL2070364
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CC1,bindingdb_1183205
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(-c3ccccc3)o2)C1=O,CHEMBL3234855
+COc1ccccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1,CHEMBL4302685
+OC(c1cccnc1)(c1cccc(F)c1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1182996
+CC(C)(c1nc2nccnc2[nH]1)[C@@H]1c2ccc(-c3ccccc3)nc2Oc2c(F)cccc21,bindingdb_1054253
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(NC4COC4)ccc23)c(F)c1,bindingdb_654875
+N#Cc1ccc(-c2c(O)cccc2O)cc1C(F)(F)F,CHEMBL394392
+CCCCCCCCCCCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_401126
+COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1,CHEMBL4169054
+CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL2403361
+CCCCC(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,bindingdb_1005040
+Cc1cc(SCCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL411045
+C[C@@H](Oc1cc(Cn2c(=O)n(C(=O)c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O,CHEMBL1946567
+C=C1C[C@H](C)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL53549
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1C,bindingdb_1184303
+Cc1cc(SCc2cnc(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL3786754
+CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC(C)C,CHEMBL247633
+Cc1cc(/N=N/c2ccc(C)c(/N=N/c3cc(C)c(N)cc3N)c2)c(N)cc1N,bindingdb_1000023
+CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1C(=O)CO,CHEMBL2311103
+CCn1cc(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)cn1,bindingdb_651075
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6ccc(N)c(Cl)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417376
+Cc1ccc(F)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12,bindingdb_760316
+Cc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1,bindingdb_982731
+Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1,CHEMBL4210871
+COCCc1nn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cc1CCS(C)(=O)=O,bindingdb_651088
+CCN(C)C(=O)N1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_648899
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CC[C@@H](n3cnnc3)[C@@H](F)C2)cc1F,bindingdb_646408
+CC(=O)c1ccc(NC(=O)C(C)ON=C(N)c2ccccc2)cc1,bindingdb_292568
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263882
+CN1CCN(C[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)S1(=O)=O,bindingdb_649213
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(F)cc1,CHEMBL1956357
+CCCCCOc1ncccc1C(O)CC#CCCCC(=O)O,CHEMBL1206090
+CN1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1,bindingdb_55728
+N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@@H]1C[C@H]2COCCN2C1,CHEMBL4104314
+CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl,CHEMBL1933841
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1C(C)(C)CCCC1(C)C)c1ccccc1CC2,CHEMBL3764444
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)c(C(=O)O)c2)cc1,CHEMBL3335663
+CCCc1cc(-c2nc(CO)c(C(=O)O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL424933
+Cc1c(N[C@@H](c2nnc(-c3ccc(F)cc3F)o2)[C@@H](C)O)ccc(C#N)c1Cl,CHEMBL3640853
+CCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL425666
+CCC(NC(=O)c1ccc2c(c1)cc(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL602263
+CCOc1ccc(C=Nn2cc(-c3ccccc3)[nH]c2=S)cc1,bindingdb_91288
+Fc1cc(CCc2nn[nH]n2)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018481
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCNCCCF)cc2F)N1CC1(F)COC1,bindingdb_402935
+CC1(c2nc(-c3cccc(N(CC45CCC(c6noc(C(F)F)n6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)no2)CC1,bindingdb_1017449
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2Cl)cc1)C(=O)O,CHEMBL205358
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOc4ccccc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018458
+COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_401998
+COc1ccc([C@H]2CC[C@H](CN(c3cccc(-c4cnn(C(C)C)c4)c3)C(=O)[C@H]3CC[C@H](N)CC3)CC2)cc1C,bindingdb_109214
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC[C@H](n3cnnc3)[C@@H](F)C2)cc1F,bindingdb_650770
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1,bindingdb_27806
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nnc(C)[nH]1,bindingdb_652772
+CS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc21,CHEMBL3617292
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(Cl)nn3c2CCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647746
+O=C(c1cnccn1)N1CCc2ccccc21,CHEMBL1345363
+CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1,bindingdb_1766
+CSc1cccc(Sc2ccc([C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)c1,CHEMBL1834537
+Cc1csc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)n1,bindingdb_1017413
+Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2nnccc2[nH]1)C(F)(F)F,CHEMBL3126948
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc4c(cc3o2)OCO4)c1)C(=O)O,CHEMBL428574
+CC(C)CN(Cc1ccc(N2CCN(C(=O)[C@H](C)O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_648599
+C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,DB09123
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(C(C)C)cc4)oc3C)ccc21,CHEMBL382957
+NC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1,CHEMBL198499
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC2CCCO2)c1C,CHEMBL501980
+COc1cc(Br)c(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1OC,CHEMBL1598762
+O=C(Nc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12,bindingdb_988945
+O=C(O)CNC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018416
+Cc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1081224
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CO)CC3)c1Cl)n2C,bindingdb_206364
+CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,DB12941
+O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1,bindingdb_953845
+CC1(C(=O)Nc2nccs2)CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12,CHEMBL514481
+COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1C,CHEMBL1543038
+C=c1sc(=CN(C)C)c(O)c1C(=O)OCC,bindingdb_401620
+CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL279301
+O=C(COC(=O)c1ccc(O)c(O)c1)c1ccccc1,CHEMBL2071176
+C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,CHEMBL110739
+CCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2)oc1C)C(=O)O,CHEMBL213782
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(c4nnc[nH]4)C2)C3)CC1,bindingdb_645564
+CC(C)(O)c1cnc(Nc2ncnc3c2CCN(c2ccc(C#N)c(Cl)c2)C3)cc1F,bindingdb_475739
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@@H](CNC(=O)CC1CCOCC1)O2)C(F)(F)F,bindingdb_646446
+NC(=O)Nc1cc(-c2ccnn2C2CCCC2)ccn1,CHEMBL3643650
+Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL595782
+CSc1ccccc1OCc1cc(C(=O)N2CCC(c3ccncc3)CC2)no1,bindingdb_539839
+CSC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,CHEMBL191841
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2,bindingdb_647322
+CC(=O)Oc1ccc(/C(=C(\CC(C)CO)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL4064664
+CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1,bindingdb_27781
+Cc1nc2cc(S(=O)(=O)n3c(CCCC(=O)O)cc4cc(Cl)ccc43)ccc2s1,CHEMBL4087052
+O=C(c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL360498
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1,CHEMBL3358932
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)cc1,CHEMBL3814224
+O=c1cc(OCc2ccccc2)cc[nH]1,bindingdb_87257
+Cc1cc(S(=O)(=O)[C@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)C3(O)CCC(C(=O)O)CC3)C2)ccc1F,bindingdb_648135
+CC1(C)CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1,CHEMBL7289
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263699
+COc1ccc(Cl)c(Cn2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c1F,bindingdb_651153
+CN(C)CCOc1ccc(/C(=C(/CCCF)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3990617
+CC(C)[C@@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1c1ncc([C@H](C)O)c(C(F)(F)F)n1,bindingdb_1130868
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,bindingdb_1130926
+CC(C)(CC(O)(Cc1cccc(O)c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL370259
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cccc2[nH]ncc12)c1ccccc1,CHEMBL3580674
+CC(C)CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1,CHEMBL380851
+CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760428
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)c1,CHEMBL2441107
+COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12,CHEMBL3605922
+COc1ccccc1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,bindingdb_760389
+C/C(=C\C(=O)O)c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL4078392
+O=C(NCCc1ccccc1)c1cc(-c2ccco2)on1,bindingdb_1000059
+Oc1ccc2c(c1)CC[C@@H](C1CCC(F)(F)CC1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961330
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL134602
+CN(C)CCOc1ccc(/C(=C(/CCCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL202615
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(Cl)cc3)C2)c1)C(=O)O,CHEMBL523650
+CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1)C(=O)OCC,CHEMBL1463692
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl,CHEMBL550295
+c1ccc2nc3c(nc2c1)c1ccccc1n3CCN1CCOCC1,bindingdb_982679
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)O)O2)C(C)=CC(C)(C)N3,bindingdb_1054984
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ncc(Cl)cc2F)[C@H]3C(C)C)cc1,bindingdb_271065
+CCCC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL489991
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@@H]1C[C@@H](O)[C@@H](O)C1,bindingdb_652184
+CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Br,bindingdb_89241
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652387
+COc1ccccc1-c1ccc2c(c1)C(C(C)OCCC1CCCCC1)=CC(C)(C)N2,CHEMBL395051
+O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCc1ccco1,bindingdb_112291
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(N3CCCC3)ncc2[nH]1)C(F)(F)F,CHEMBL3126937
+C[C@](O)(CO)CNC(=O)C[C@@H]1CSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_650991
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3=O,CHEMBL94286
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cc1Cl,bindingdb_511742
+O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc2c(c1)nc(C(F)F)n2Cc1cccc2c1OC(F)(F)O2,bindingdb_270777
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c(C(F)(F)F)n1,bindingdb_1143247
+CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)O,CHEMBL202609
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCC(C)C)c2)c1,CHEMBL594174
+O=C(O)Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2cc(Cl)cc(Cl)c2)c1,CHEMBL1075665
+CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C#N)cc2)c1C,CHEMBL1454402
+COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1,bindingdb_112065
+O=C(Oc1ccc2c(O)coc2c1)c1ccccc1,bindingdb_831518
+CCOc1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017819
+COc1ccc(/C=C(/C(=O)N(C)CCCCCCCCCCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)c2cc(OC)c(OC)c(OC)c2)cc1O,CHEMBL3823192
+Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)cc1,CHEMBL3398435
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CC1Oc2ccccc2NC1=O,bindingdb_652459
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1,CHEMBL3814025
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)nc3)cc12,CHEMBL3639982
+CCC/C=C(\CCC)C1=C(c2ccc3ccccc3c2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL216778
+Cc1ccc(C(=O)Nc2ncccc2O)o1,bindingdb_658456
+CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1,CHEMBL492798
+O=C(O)CCc1ccc(OCCCOc2cccc(Cl)c2)cc1,CHEMBL4302817
+CCn1c(O)c(C=Nc2ccccc2)sc1=S,bindingdb_1000297
+O=C(O)c1ccc2c(c1F)CCCC(c1ccc(Cl)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403553
+Cc1cc(C)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)c(C)c1,CHEMBL397005
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(C#N)c1,CHEMBL1801005
+CC[C@]1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC[C@H](C(=O)O)CC1,CHEMBL3965066
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOc1ccc(-c2cc[n+]([O-])cc2)cc1,bindingdb_511769
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2348914
+CS(=O)(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059697
+O=C1c2ccc(O)cc2C(=O)N1[C@H]1CC[C@H](O)CC1,CHEMBL232468
+COc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)c1,CHEMBL4093146
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCN(C(=O)N2CCCC2)C3)c(F)c1,bindingdb_649673
+COc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1,CHEMBL1308652
+O=C(O)CCCCCn1c(O)csc1=S,bindingdb_69173
+CN1C[C@@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1=O,bindingdb_649332
+COC(=O)c1ccc(NC(=S)C23CCC(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c(Cl)c1,bindingdb_1018295
+O=C(O)Cc1c[nH]c2ccc(O)cc12,CHEMBL395915
+CCCn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2cccc(OC)c2)c1=O,CHEMBL345721
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2C3CCCC2CC3)cc1,CHEMBL3317864
+N#Cc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12,CHEMBL185012
+COCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,CHEMBL1576714
+O=C(NCc1ccc(Cn2cccc2C(=O)O)cc1)Nc1ccc(OC(F)(F)F)cc1,CHEMBL2180636
+Cc1nn(C2CCSCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168431
+COc1ccc(Cc2c(Cl)nc3ccc(C(O)(c4cccnc4)c4cccc(Cl)c4)cc3c2Cl)cc1,bindingdb_1184244
+O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1,bindingdb_55652
+COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)NC2CCCC2)C2CCCCC2)c(OC)n1,bindingdb_846249
+CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL220597
+Nc1cccc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)c1,bindingdb_654617
+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C,bindingdb_1026167
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(C#N)cn3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_54906
+Cc1nc2c(C(F)(F)F)cccc2nc1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1,CHEMBL1093258
+C[C@@H]1c2c(ccc(O)c2F)O[C@@H](c2ccc(OC[C@H](C)N3CCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL359633
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019154
+CCOc1cc(/C=C/COc2ccc(C[C@H](OCC)C(=O)O)cc2)cc(OCC)c1,CHEMBL248113
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(C)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263909
+CCCCCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL229831
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C(=O)O)cc2)c(Cl)c1,CHEMBL2017548
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(Br)cc3)C2)cc1,CHEMBL247632
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1c(F)cccc1Cl,CHEMBL3314003
+Cn1c(-c2ccc(-n3ccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,CHEMBL523414
+O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21,CHEMBL1370120
+COc1ccc(C(CC(=O)N2C[C@H](C)C[C@H](C)C2)c2c(O)cc(OC)cc2OC)cc1,CHEMBL2326416
+Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)C2c2cccc(Oc3ccccc3)c2)o1,bindingdb_939563
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccccn2)c1,CHEMBL241471
+CCCCCCCCCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_401013
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1,bindingdb_45538
+O=C(O)c1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n(C2CC2)n1,bindingdb_1017565
+Cc1cc(Cc2ccc(O)c(C)c2)ccc1O,CHEMBL2403354
+O=C1c2ccccc2C(=O)N1c1ccc(CCc2cccc(O)c2)cc1,CHEMBL574107
+CN(CC(F)(F)F)S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649500
+CC[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1,CHEMBL189110
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1182860
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4cc(F)ccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650812
+O=C1COc2ccc(C3=Nn4cnnc4SC3c3ccccc3F)cc2N1,CHEMBL1928874
+O=C(C1CCS(=O)(=O)CC1)N1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12,bindingdb_646978
+CCCOC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210033
+COc1cc(-c2cnc3c(NC=O)cc(-c4ccc(C)cc4)cn23)cc(OC)c1OC,bindingdb_69258
+CCN(CC)CCNC(=O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL4225954
+Oc1ccc2c(c1)CCCC(c1cccnc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403874
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CS(=O)(=O)C3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_649387
+CC(C)c1ccc(-n2cc(C(=O)c3cccc(O)c3)nn2)cc1,CHEMBL2381369
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)c(Cl)c1,bindingdb_646458
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cc1,bindingdb_511745
+Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O,CHEMBL4250574
+CC(C)c1cc(Oc2c(Cl)cc(Nc3c(O)c(=O)c3=O)cc2Cl)ccc1O,CHEMBL480312
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CC1,bindingdb_1183987
+O=C(NS(=O)(=O)C1CCCC1)c1ncc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1017829
+CCS(=O)(=O)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL395291
+Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1,CHEMBL4064352
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c2ccsc12,CHEMBL3640882
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3C)cc1,CHEMBL4216569
+NC(=O)CN1CC[C@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3F)C3CC3)c2F)[C@@H](O)C1,bindingdb_988800
+COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n(CC3CC3)c2n1,bindingdb_647340
+CCCCN(Cc1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL494674
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4ccccc4-c4nnn[nH]4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018845
+COc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C(C)C)CC4)cn3C)c2C)cc1C#N,CHEMBL4289166
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5cccc(Cl)c5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4204230
+CCCCN(c1ccc(C)c(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760415
+O=C(O)CNC(=O)c1nc(Cl)c2cc(Oc3ccccc3)ccc2c1O,CHEMBL4163070
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(F)C3)CC1,bindingdb_652752
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1,CHEMBL338390
+O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1Br,bindingdb_1769
+CC(=O)Nc1ccc(-c2ccnc3c2CC(C(=O)NCc2ccco2)O3)cc1,bindingdb_69252
+COC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2,CHEMBL255370
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_648814
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC2(CCOC2=O)C3)CC1,bindingdb_649797
+Oc1c(Cc2ccccc2)ccc2c1[nH]c1ccc(Cl)c(Cl)c12,CHEMBL1290631
+O=C(O)CCc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1,CHEMBL220817
+C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1,CHEMBL3632954
+SC1=Nc2ccc(-c3ccc(Cl)cc3)cc2C12CCCCC2,CHEMBL25429
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cccc(F)c3)cc2)cc1,CHEMBL4281750
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccc4ccccc4c3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650435
+CN(C)C(=O)c1ccc2c(c1)CCCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_54875
+Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@@H](O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1,CHEMBL3977048
+Cc1noc(C)c1-c1cc2c(cc1Cl)NC(C)(C)C(=O)C2(C)C,CHEMBL3582110
+CCn1nccc1S(=O)(=O)N1CC[C@H]2Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C(F)(F)F)ccn2)C1,CHEMBL4094863
+Clc1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1,CHEMBL178733
+Cn1nnc(-c2ccc(N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)cc2)n1,bindingdb_645581
+O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,CHEMBL194399
+O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1,bindingdb_1026194
+CC[C@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccc(C(=O)O)cc2)c1)c1ccccc1,CHEMBL3695907
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)NCCC(=O)O)cc2)cc1,CHEMBL183914
+COc1ccc2c(C)cc(SCC(=O)c3ccc4c(c3)OCO4)nc2c1,bindingdb_672434
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)cc1C(C)(C)C,bindingdb_647059
+O=C(O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)c1,CHEMBL3589350
+Cc1ccc(-c2cc(-c3ccccc3)no2)c(O)c1,bindingdb_672435
+CCN1C(=O)COc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc21,bindingdb_402426
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)ccc(OCCNCCCF)c2F)N1C[C@H](C)C(=O)O,bindingdb_403180
+Oc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1,CHEMBL200483
+Cc1cnc(-c2ccccc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL239351
+O=S(=O)(c1ccccc1)N1CCOc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL381570
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CO)cc2)c1,bindingdb_757521
+COc1ccc(-c2nc(COc3ccc(CC(=O)O)cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081380
+CCCC#Cc1ccc2c(c1)COc1c3ccccc3nn1-2,bindingdb_999811
+Oc1ccc2c(c1)CCCC(C1CCOCC1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401644
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccc(-c4ccccc4)cc2)C3)cc2ccccc21,bindingdb_1000030
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)[C@H](C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183073
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SC2)c(F)c1,bindingdb_403428
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401325
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(F)cc1F,CHEMBL181604
+C/C=C\c1cc(O)cc2nc(-c3ccc(O)cc3F)oc12,CHEMBL187000
+[C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccc(CCC(=O)NCCO)cc3)C2=S)cc1C(F)(F)F,bindingdb_476012
+C[C@H](CCCS(=O)(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138038
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc([C@H]2CC[C@@H](C(=O)O)CC2)c2ncccc21,bindingdb_647093
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1,CHEMBL1351935
+NC(=O)Nc1cc(-c2ccnn2-c2ccccc2Cl)ccn1,CHEMBL3643652
+CCCC(c1nnc(C)n1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL555562
+CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1,DB00605
+O=C(CN1CC(=O)Nc2ccccc21)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,CHEMBL3949291
+CCC(CC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1,CHEMBL2403348
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2(OC)CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645146
+[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3cc(C)ccn3)C2=S)cc1C(F)(F)F,bindingdb_475604
+C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL124881
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645628
+CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1,CHEMBL101807
+Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL218637
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,bindingdb_584340
+Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2cc1,CHEMBL260632
+Cc1cn(Cc2c(Cl)ncc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206726
+CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(=O)O,CHEMBL1171834
+Cc1ccc(C)c(S(=O)(=O)NC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)c1,bindingdb_646148
+O=C(NS(=O)(=O)[C@@H]1CCC[C@H]1O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017964
+CCc1ccc(OC(CC)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1,CHEMBL215127
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1,bindingdb_401192
+COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccnc1,bindingdb_757554
+CC(C)C1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,CHEMBL3673669
+O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1c[nH]c2ccccc12,bindingdb_292591
+Cn1nc(-c2ccccc2)nc1-c1ccccc1,CHEMBL1357461
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3C[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183150
+CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,CHEMBL1450203
+CCOC(=O)c1c(SCC(=O)Nc2nccs2)nc(C)c(C)c1C,bindingdb_69174
+CC(C)c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)cc1,bindingdb_107883
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(-n4cccn4)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640870
+CCc1nnc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)s1,bindingdb_1004998
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(=O)O,CHEMBL245465
+CC(C)(NS(C)(=O)=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648894
+Cc1c(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1ccccn1,CHEMBL373142
+O=C(O)C1CCN(C(=O)[C@@H]2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652273
+Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(F)cc1,bindingdb_672642
+Cc1cnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)c1,CHEMBL4164423
+O=C1c2ccccc2C(=O)N1c1ccc(CCc2ccc(O)cc2)cc1,CHEMBL575857
+C[C@@H]1c2c(ccc(O)c2F)O[C@@H](c2ccc(OCCN3CCCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL181368
+NC(=O)Nc1cc(N2CCCC2c2ccc(F)cc2)ccn1,CHEMBL3643697
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cc(C#N)ccc23)C(F)(F)F)c(C)c1,CHEMBL3093451
+CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,DB04930
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ncccn1,CHEMBL265785
+Oc1ccc2c(c1)SCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401734
+O=C(NCC1CCOCC1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650915
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(OC(F)F)cc1,bindingdb_270930
+CCc1c(-c2ccc(OCCN3CCCCC3)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL315474
+CC(C)[C@H](NC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccc([C@@H]3O[C@@H]4C[C@H]5[C@@H]6CCC7=CC(=O)C=C[C@]7(C)[C@H]6[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)cc1,bindingdb_417552
+CCOCCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12,CHEMBL1367087
+CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120318
+O=C(O)CC1=C/C(=C\c2ccc(Br)cc2)c2ccc(F)cc21,CHEMBL457853
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O,CHEMBL3588883
+O=C(O)c1cc(F)cc(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018263
+O=C1NC(=S)S/C1=C\c1ccc(OCCCN2CCCCC2)cc1,CHEMBL1081073
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(CC)COC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55089
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C(C)C)c2=O)cn1,bindingdb_647083
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)cc3F)c1)CCC2,CHEMBL2312268
+O=S(=O)(c1ccc(F)cc1)[C@@]12CCN(Cc3nnn[nH]3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_645629
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184330
+Cc1cc(OCCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,CHEMBL447378
+CC(/C=C/CC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1)=C\C(=O)O,CHEMBL89331
+CCCc1cc(-c2nc(OCC)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL387350
+CCC(CC)C1(CC(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21,CHEMBL211441
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(O)cc3)C2)CC1,bindingdb_653238
+Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1,CHEMBL360410
+Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc(S(=O)(=O)NC5CC5)cc4)nc3)[nH]c2cc1C,bindingdb_953821
+Cc1cc(OC(F)(F)F)cc2c1c(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(C)C3)c1Cl)cn2C,bindingdb_206640
+Cc1cc(OC/C=C\C(C#Cc2ccc(CO)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL234691
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1)C(=O)O,CHEMBL248318
+CS(=O)(=O)c1c(F)cccc1-c1csc(N2CCOCC2)n1,CHEMBL3323501
+Cc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,bindingdb_45583
+Fc1cccc(CN2CCn3nnnc3C2c2cc(F)ccc2F)c1,bindingdb_653846
+CC(C)(C)OC(=O)NC1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C3CC3)c2)C1,bindingdb_998275
+CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)o2)ccc1Cl,CHEMBL1404075
+Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1,CHEMBL196585
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O,CHEMBL475915
+CC1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1S(C)(=O)=O,bindingdb_539817
+CCc1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1184116
+Cc1cc(NC[C@H](C)NS(C)(=O)=O)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1,CHEMBL1668083
+CCCCCS(=O)(=O)NC(=O)CCc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022743
+CCCCC(Sc1ccc(OCCCOc2cccc(OC)c2)cc1)C(=O)O,CHEMBL550332
+COc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_404082
+O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccn1,bindingdb_69166
+Cc1ccc(N2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)cc1Cl,CHEMBL437214
+CCc1ccc(C(=O)Nc2ccccc2C(=O)NCCCC(=O)O)cc1,CHEMBL3262946
+CCOc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL393777
+NC(=O)CCNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_648391
+Oc1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1,CHEMBL2332590
+CC(Cc1ccc(Oc2cc(N3CCN(c4cccc(Cl)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL557244
+COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1,bindingdb_69273
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CC2C)cc1Cl,CHEMBL555065
+CC(C)c1onc(COc2c(F)cccc2F)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL494194
+CCc1ccc2nc(O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1,CHEMBL1605393
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NCCS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648204
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(C)c1,CHEMBL559520
+COc1ccc(OC(=O)N2[C@H](C(=O)O)CC[C@H]2c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,CHEMBL3398423
+COC(=O)Cc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1,CHEMBL4209440
+CN(C)CCOc1ccc([C@H]2N=CN[C@H]2c2ccc(O)cc2)cc1,CHEMBL193280
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_1127449
+CC(C)(C)OC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1,bindingdb_652879
+COc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1Cl,bindingdb_292659
+COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1,bindingdb_292584
+N#Cc1c(N)nc(C(C#N)C#N)c(C#N)c1-c1ccccc1,bindingdb_939504
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2cccnc2)cc1,CHEMBL3990571
+CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3ccc(C#N)cc3)ccc21,CHEMBL4225577
+CC1(C)CC2CC(C)(CN2C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)C1,CHEMBL2070236
+Cc1cccc(S(=O)(=O)N2C[C@H](C)Oc3ncc(NC(=O)C(C)c4ccc(F)cc4)cc32)c1,bindingdb_998106
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H](NC(C)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(=O)OC)n1,bindingdb_645249
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cc(-c5ccc(OC(F)F)cn5)ccn4)(CC2)CC3)no1,bindingdb_1018429
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Oc3ccccc3)c(Cl)c2c1,bindingdb_648829
+O=C(O)CCc1ccc(-c2cccs2)n1CCC(=O)O,CHEMBL1484570
+CCOc1sc(CC)nc1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_648593
+CC(C)[C@H]1c2ncc(C(=O)NCc3cn4cccnc4n3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123945
+CCCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL2203823
+CCOC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)CC)nc1C(F)(F)F,bindingdb_1130811
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(F)c1,bindingdb_401051
+C[C@@H]1CC(=O)[C@@H](C(C)(C)O)O[C@H]2C[C@@]3(C)C(=C12)C=C[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C,CHEMBL3632949
+CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1,bindingdb_112119
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)c2ccccc12)C(F)(F)F,CHEMBL235280
+CCOc1ccc(CC2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1,CHEMBL292970
+O=C([O-])c1cc(-c2cccnc2)nc2ccc(Br)cc12,bindingdb_953799
+CC1(O)CN(CC(N)=O)CC[C@@H]1CNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F,bindingdb_988936
+CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,bindingdb_69148
+Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1,CHEMBL1472407
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(Cl)c3)[C@@H]1C2,CHEMBL440751
+CCCCNc1cc(C)nc(NCc2ccccc2)n1,bindingdb_584063
+CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc(-c3ccccc3)[nH]c12,CHEMBL198786
+CN(C)c1cccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)c1,CHEMBL1448854
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(=O)O)c2)cc1)Cc1ccc(F)cc1F,CHEMBL190109
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)O)coc2c1,CHEMBL265868
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F,CHEMBL1911548
+Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C)ccn3)C2)c1,CHEMBL4081121
+SC1=Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,CHEMBL25261
+COc1cc(C)ccc1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL469334
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,CHEMBL1093458
+C=C(c1ccccc1)[C@@]12CC[C@H](O)[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765960
+O=C(c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)s1)N1CC2(CCS(=O)(=O)CC2)C1,bindingdb_649552
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCCCO)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_653413
+CN(C)CCN(C)C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_645882
+COc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)O)c1,CHEMBL525366
+O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc2c(c1)nc(C1CC1)n2Cc1cccc2c1OC(F)(F)O2,bindingdb_270778
+Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1,CHEMBL316080
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CC(CO)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263575
+Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C(F)(F)F)o2)cc1,CHEMBL273036
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CC(O)C1,bindingdb_654251
+Cc1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O,CHEMBL485927
+CCCN(CCC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1,CHEMBL4216299
+COc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cn1,bindingdb_401172
+Cc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1,bindingdb_672382
+Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)n2ncnc2n1,bindingdb_760260
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1,bindingdb_401269
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(C(F)(F)F)cc1,CHEMBL192518
+COc1ccc(Cl)c(-c2noc(C(C)Cl)c2COc2ccc(-c3ccc4c(C(=O)O)cn(C)c4c3)c(C)c2)n1,bindingdb_846273
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(F)ccc3C(F)(F)F)cc12,CHEMBL3699385
+Cc1cc(CCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,CHEMBL519215
+CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC,bindingdb_584019
+COc1ccc(Nc2ccc(N)cc2)cc1,CHEMBL1565941
+Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)cc1,CHEMBL3398427
+CC(C)CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL216279
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(CC)(c2ccc(OC)cc2)C1=O,CHEMBL3588891
+COc1cc(NS(C)(=O)=O)cc(OC)c1Oc1ccc(C#N)c(Cl)c1,CHEMBL3818341
+Cc1ccc(S(=O)(=O)[C@@]23CCN(C(=O)[C@]4(O)CC[C@@H](C(=O)O)CC4)[C@@H]2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_651808
+O=C(O)CC1=C/C(=C\c2cccc3ccccc23)c2ccc(F)cc21,CHEMBL515204
+FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12,bindingdb_1026168
+CCC(Cc1cc(C)c(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094484
+Cc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657183
+Cc1cc(SC(CCCCCCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037582
+c1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1,bindingdb_69004
+COc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1,bindingdb_1026135
+CN(C)c1ccc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1,bindingdb_112164
+Cc1cnc(NC(=O)CN2CCN(c3ccccn3)CC2)s1,bindingdb_760142
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CN(S(C)(=O)=O)C1,bindingdb_654058
+CNS(=O)(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623120
+Cc1cc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL218101
+CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(-c3ccccc3)cc2)c1)C(=O)O,CHEMBL270587
+CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1,bindingdb_1780
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3940910
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F,CHEMBL392289
+N#Cc1ccccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_653343
+COC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,CHEMBL3947567
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2F)c1)C(=O)O,CHEMBL201832
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](C(N)=O)O2)C(F)(F)F,bindingdb_649530
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(C(=O)O)C(=O)O,CHEMBL199782
+CC(C)[C@H]1c2ncc(C(=O)NC[C@H]3CC[C@H](C#N)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127477
+COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F,bindingdb_402966
+Cc1c(C#N)ccc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206679
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(Cl)c1,CHEMBL203330
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263750
+CCCn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(C(C)c2ccccc2)c1=O,CHEMBL356170
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)NC4CC4)cnc23)c(F)c1,bindingdb_654743
+CCc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl,CHEMBL380232
+COCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCc2ccccc21,bindingdb_292573
+C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,CHEMBL180300
+Clc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1,CHEMBL4117828
+Oc1ccc2c(c1Cl)OCCC(c1cccc3c1CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403288
+CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL121940
+CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC,CHEMBL1971815
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2,CHEMBL270908
+Cc1c(N2C(=O)O[C@H](C)[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1Cl,bindingdb_29784
+CC(C)CN(Cc1ccc(N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_648358
+CCCc1ccc(-c2oc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2cnc(OC)nc2)cc1,CHEMBL1080109
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(OCC(F)F)n1,bindingdb_654779
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)C4CC5(CC(C(=O)O)C5)C4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1Cl,bindingdb_648226
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(/C=C/c2ccc(O)c(O)c2)c1,CHEMBL577149
+O=C(O)c1ccc(-c2nn(C(=O)c3cccc4c3OCC4)c3ccccc23)c(F)c1,bindingdb_654186
+COc1ccc(-c2nc(COc3ccc(CC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081387
+CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O,CHEMBL2181929
+Cc1ccc(C(=O)NCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1,CHEMBL1405097
+CCCc1ccc(-c2ccc(F)c(N)c2)nc1,bindingdb_760139
+N#Cc1ccc(F)c(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)c1,bindingdb_652302
+CN(c1ccc(C(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL203454
+CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1,CHEMBL1541075
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN4CCC[C@@H]4C3)cc2C1=O,bindingdb_1127508
+CN(C)C(=O)c1ccc2c(c1)c(Oc1c(Cl)cccc1C(F)(F)F)nn2-c1ccc(C(=O)O)cc1,CHEMBL3931161
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3Br)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL396451
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCN(C(=O)OC)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55067
+O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,bindingdb_55597
+CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1,CHEMBL428019
+c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,CHEMBL1449836
+O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccc(O)c(O)c1,CHEMBL577802
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)cc3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511828
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2cnco2)cc1,bindingdb_645816
+O=S(=O)(c1ccc(F)cc1)[C@@]12CCN(c3cccnc3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_645401
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cn2)N1CC1(F)CC1,bindingdb_402131
+CCCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21,CHEMBL509912
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(N[C@H]2CCN(CCCF)C2)cc1,bindingdb_402114
+Cc1cc(SCC(COc2ccc(C(F)(F)F)cc2)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O,CHEMBL231531
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_649343
+CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL1961797
+COc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1,bindingdb_112110
+O=C(O)c1ccc(-n2cc(C(=O)c3c(F)cccc3OC(F)(F)F)c3cccc(F)c32)c(F)c1,bindingdb_650972
+CCc1cc(S(=O)(=O)[C@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)ccc1F,bindingdb_650368
+C[C@H](C[C@H]1CN(S(=O)(=O)c2c(Cl)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652441
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1CC1CCOCC1,bindingdb_125957
+COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3945514
+COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCC4)cc1,bindingdb_69162
+CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1,CHEMBL198037
+CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F,CHEMBL2178797
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F,CHEMBL3126953
+Fc1ccc(C2c3nnnn3CCN2Cc2cccnc2)cc1,bindingdb_649662
+CC(C)[C@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192791
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](Cn1nccn1)O2,bindingdb_647411
+COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccc(C(F)(F)F)cc43)noc2c1,CHEMBL1946757
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3CCC2)cc1,bindingdb_402773
+CCOC(=O)c1ccc(-c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c(C)s2)cc1,CHEMBL4226854
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCN3CCCCC3)ccc12,CHEMBL241303
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@H](O)C(F)(F)F,bindingdb_646646
+CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COc2ccc(N)cc2)O1,bindingdb_168478
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4cc(C)ccc43)c2)c(C(=O)O)c1,bindingdb_745813
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CC1,bindingdb_1183313
+C[C@](O)(COc1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1074185
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)n1,bindingdb_401568
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ccncc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018478
+C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO,bindingdb_584042
+Cn1c([C@@H](Cc2ccccc2)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)nc2ccc(C(=O)O)cc21,CHEMBL4093639
+CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)N1,CHEMBL1762203
+COc1ccc2c(c1)-c1ccc3c(c1[C@H](c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL1089811
+C[C@H](NC(=O)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)F)s1)C(C)(C)O,bindingdb_1184007
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(N)(=O)=O)cn3)c(=O)n(CC(C)C)c2n1,bindingdb_647073
+c1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1,bindingdb_1004895
+C[C@@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1,CHEMBL180928
+O=C(O)CC1COc2cc(OCCOc3ccccc3)ccc21,CHEMBL4288770
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1,bindingdb_654842
+Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL244574
+CC(C)Oc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL178630
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C(C)C)cc3Cl)cc2O1,CHEMBL361166
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(C)cc3)cs2)n1)C(=O)O,CHEMBL3091499
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C(N)=O)n1-c1ccc(CCC(F)(F)F)cc1F,bindingdb_1183191
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1ccno1)O2)C(F)(F)F,bindingdb_646709
+O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1644183
+COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,CHEMBL3335672
+COc1ccc(CCNC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1OC,bindingdb_1682
+O=C(N/N=C1/C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1,CHEMBL1971613
+COc1ccc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)nc1,bindingdb_168400
+N#Cc1cc(F)cc(-c2ccc3nc(O)n(C4CCC4)c3c2)c1,CHEMBL361901
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@H]4C[C@@](C)(O)C(=O)N4CCCCc4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,5gid
+COc1ccc2c(c1)C1CC1(C(=O)N1CCN(C(C)=O)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126655
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6ccc(N)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417360
+O=C(CC1CCCCC1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,CHEMBL3105810
+Cc1nc(NC(C)c2ccccc2)c2oc3ccccc3c2n1,bindingdb_584057
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(Cc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417614
+NC(=O)Nc1cc(CCc2ccc(F)c(C(F)(F)F)c2)ccn1,CHEMBL3643691
+Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)NC(C)C)c2)c1,CHEMBL459562
+COc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL361762
+O=S(=O)(C1CC1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094371
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@H](N2CCOCC2)CC1,bindingdb_652197
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F,CHEMBL1911545
+C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,DB04574
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC3(c4ccccc4)CC3(F)F)ccc2O1,bindingdb_649975
+CS(=O)(=O)c1cccc(N2CCN(C[C@@H]3CCN(CC(F)(F)F)C3)[C@H](c3ccccc3)C2)c1,bindingdb_1000036
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(Oc4ccccc4)cc3)C[C@@]21C,CHEMBL222515
+C=C[C@]12CCC(CC)=CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL249903
+CCC(Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL262558
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(C)(C)OCC(O)CO)cc1F,bindingdb_648688
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2F)cc1,CHEMBL4207869
+COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL106666
+COc1c(F)ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c1F,bindingdb_403240
+O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,CHEMBL549748
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1)O2,bindingdb_650690
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1cnoc1C,bindingdb_654588
+CCO/N=C(\C)C(Cc1ccc(OCc2nc(C(C)C)oc2C)cc1)C(=O)O,CHEMBL387588
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(Cl)c(Cl)c2)c1)C12CC(F)(C1)C2,bindingdb_1018135
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCCCCCC(=O)NO)nn1,bindingdb_475665
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ncnn3CCS(C)(=O)=O)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651286
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(-c2nn(-c3ccccc3)nc2C(=O)O)cc1,CHEMBL489506
+CC1(C)CC(=O)c2ccc(-c3cccc(Cl)c3)cc21,CHEMBL577034
+CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1,CHEMBL1377177
+CCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1,CHEMBL175525
+Oc1ccc2c3c(cnc2c1)-c1ccc(C(F)(F)F)cc1OC3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050089
+O=C(O)Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1,CHEMBL3263249
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2CCOCC2)cc1F,bindingdb_648541
+CCc1cc(-c2cc3ccc(O)cc3s2)ccc1O,bindingdb_831676
+Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2,CHEMBL207706
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1,CHEMBL3261420
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1,CHEMBL1592951
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccc(OC)cc3)cc21,CHEMBL380417
+CC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1,bindingdb_292639
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1,CHEMBL214369
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCO2)nc1,CHEMBL435512
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_430584
+Fc1ccccc1-c1ccc(CN=Nc2nc3ccccc3[nH]2)o1,bindingdb_672667
+COC(=O)/C=C/c1ccc(Oc2c(-c3ccccc3)sc3cc(O)ccc23)cc1,bindingdb_402998
+CC(Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL248326
+Cn1c2c(c3cc(O)ccc31)CSc1ncccc1-2,CHEMBL207106
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]65)C4)cc3)C[C@@]21C,CHEMBL406064
+CCCCCCc1ccc(C(=O)CCNCCC)cc1,bindingdb_481552
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,CHEMBL130141
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(F)c(C)c(F)c3)C[C@@]21C,bindingdb_168538
+CC(c1ccnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL564782
+O=C1c2ccccc2C(=O)N1c1ccc(O)cc1,CHEMBL388474
+Cc1c(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,bindingdb_29786
+Cn1nncc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C(F)(F)F)ccn2)C1,CHEMBL4095217
+CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1,CHEMBL3120320
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1Cl,bindingdb_401590
+COc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1,bindingdb_745823
+CCCC/C(=C\c1cc(OCc2cccnc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397718
+CS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018547
+O=C(CC1CC1)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_999754
+COc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402193
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(O)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402523
+CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2c1C,bindingdb_584124
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1,bindingdb_112261
+Cc1cc(C(=O)NCCP(=O)(O)O)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018302
+Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCCCC1,CHEMBL2070235
+CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21,CHEMBL199677
+CCCCn1c(=O)c2cccc(OC)c2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1765175
+COC[C@@H]1CC2C(CC[C@@]3(C)C2CC[C@@H]3O)c2ccc(O)cc21,bindingdb_401837
+O=C1NC(=O)C(Cc2cc(I)c(Oc3ccc(O)c(C4CC4)c3)c(I)c2)N1,CHEMBL260482
+COc1cc(-c2nc(C)c(C(=O)O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL427080
+CCn1cc(S(=O)(=O)N2C[C@H](CC3(C#N)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_646898
+O=C(O)C(Cc1ccccc1)Oc1ccc(/C=C/c2ccccc2)cc1,CHEMBL573018
+NC(=O)C(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652106
+CC(C)[C@@H](NC(=O)C[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334822
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)n1,bindingdb_402852
+CC(C)(Oc1cccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)c1)C(=O)O,CHEMBL380837
+NC(=O)c1ccccc1OCC1CC(c2ccccc2)=NO1,CHEMBL1326483
+CCCCC(Sc1ccc(OCCCOc2cccc(C(C)C)c2)cc1)C(=O)O,CHEMBL563546
+Cc1ccc(C2=C(c3ccc(C)cc3)[C@H]3[C@@H](S(=O)(=O)Oc4ccc(O)cc4)C[C@@H]2[S+]3[O-])cc1,CHEMBL2031539
+Oc1ccc(-c2cocc2-c2ccc(O)cc2F)c(F)c1,CHEMBL2332589
+CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,bindingdb_1175407
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccco1,CHEMBL1482795
+CC(C)c1onc(CNc2c(Cl)cncc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL466620
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(O)c3)c2)c(Cl)c1,bindingdb_481662
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4ccccc34)c2)c1,CHEMBL606862
+CCC(C(=O)O)C1CCc2cc(OCc3ccc(-c4nc(-c5ccccc5)oc4C)cc3)ccc21,CHEMBL381468
+CCCCC/C=C(\CCCCC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL214414
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(F)cc1-3,CHEMBL65079
+O=C1c2ccc(O)cc2C(=O)N1c1cccc(O)c1,CHEMBL388473
+Oc1ccc2[nH]c3c(c2c1)CSc1ccccc1-3,CHEMBL210924
+Oc1ccc2c(c1)CCCC(c1cccc3[nH]ccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402618
+O=C(CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1)Nc1nncs1,CHEMBL4209091
+CCC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,CHEMBL560160
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2NBr)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184208
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3cccs3)oc12,CHEMBL1608748
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@@H](S(C)(=O)=O)C3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_645822
+CC(=O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O,CHEMBL3632951
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](Cc2nn(C)c(=O)o2)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_646855
+Cc1ccccc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F,CHEMBL3126943
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12,bindingdb_584515
+CCOc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(OC)c2)n1,CHEMBL220894
+O=S1(=O)CCC(c2ccc(F)cc2Cl)=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc21,bindingdb_403215
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)c(Br)c1,CHEMBL611073
+O=S(=O)(c1cccc(Cl)c1)N1CCCCC(c2ccc(Cl)cc2)=N1,CHEMBL213225
+O=C(N1CCC(O)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645068
+Oc1ccc(Sc2ccc(O)cc2)cc1,CHEMBL3183502
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653028
+C=C1CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]2/C1=C/C=C1/C[C@@H](O)C[C@H](O)[C@@H]1C,CHEMBL3593368
+Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(O)ccc21,CHEMBL208085
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],DB01115
+CN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1,bindingdb_69239
+O=C(O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393180
+Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL513594
+CC(C)c1oc(-c2ccccc2O)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1777824
+CC(C)(C)c1cccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)c1,CHEMBL4280212
+CN(CCO)C(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_648312
+C[C@H]1CN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)CCO1,bindingdb_648971
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2CO,CHEMBL3099432
+Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238290
+Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OCC(=O)O,CHEMBL265421
+CC(C)(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL191489
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(/C(CC)=N/O)c1O,CHEMBL23874
+COc1ccc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)nc1,bindingdb_168445
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@@H](CO)Cc2ncc(NC(=O)OCC(C)(C)C)cc21,bindingdb_648918
+CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCC2,CHEMBL1382806
+C=C1CC[C@@H](Br)C(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51639
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cn(C[C@H](O)CO)nn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646807
+CC(O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130780
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccn(CCNS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654569
+CNC(=O)Cc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1,bindingdb_1017611
+CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,DB11901
+Nc1cc(-c2nn[nH]n2)ccc1F,CHEMBL1565585
+C=CCn1c(=S)[nH]c(=O)[c-](C=C2C=CC=[N+]2c2cccc([N+](=O)[O-])c2)c1=O,bindingdb_972725
+CCCCCC(O)/C=C\C=C/CCCCCCCC(=O)O,CHEMBL2069934
+Cc1cc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc2[nH]1,bindingdb_988740
+COc1ccc(C(=O)[PH](O)(O)CCc2ccccc2)cc1,bindingdb_100107
+CCCC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nnc3c1C2,CHEMBL384709
+O=C(OCc1ccccc1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650620
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(CS(C)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648434
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,CHEMBL865
+CN1CCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1,CHEMBL121978
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(F)cc1,CHEMBL1163481
+CC(C)c1ccc(S(=O)(=O)C23CCN(C(=O)[C@]4(F)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_652601
+COc1ccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(C(F)(F)F)ccc32)cc1,CHEMBL4060007
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2Cl)N1CC(F)(F)F,bindingdb_401806
+CC(C)C[C@@H](c1nc2ccc(C(=O)O)cc2n1C)N1C(=O)CN(c2ccc(-c3ccccc3)cc2)C1=O,CHEMBL4105130
+CC(=O)Nc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,bindingdb_1054331
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)c(C4CC4)c3)C2)CC1,CHEMBL3963478
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC4(C(F)(F)F)CCCCC4)cc32)ccc1F,bindingdb_645383
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(O)(Cc4ccccc4)Cc4ccccc4)CC[C@@H]23)C[C@H]1O,5b5b
+COc1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1OC,bindingdb_584419
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1,bindingdb_692048
+COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)nc3c2C1)S(=O)(=O)c1ccccc1,bindingdb_672583
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(C#N)c1,CHEMBL428366
+O=C(C1CC(O)(C(F)(F)F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)F)co2)c1,bindingdb_1019019
+CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1,bindingdb_25340
+NC(=O)CN1CC[C@@](O)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1,bindingdb_988819
+COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2cc(O)no2)cc1,CHEMBL4215799
+CN(C)c1cccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)c1,bindingdb_831628
+O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,bindingdb_760522
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1018957
+C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@@H](O)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1257357
+COc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3Br)cc2c1,CHEMBL1327081
+COc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL361226
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)Cc1ccccc1)O2)C(F)(F)F,bindingdb_649078
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)ccc1C(N)=O,bindingdb_999721
+CC[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1CC,CHEMBL370194
+CCO[C@@H](Cc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL86657
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COCC(C)(C)C)c1ccccc1CC2,CHEMBL3765064
+CCOC(=O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652135
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(O)c3)c2)c(Br)c1,CHEMBL235385
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)ccc2[nH]1)C(F)(F)F,CHEMBL1911647
+O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccc(CO)cc21,CHEMBL1642361
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3C[C@H]4CCC[C@H]4C3)cc2)cc1,CHEMBL433769
+CCC1(c2ccco2)OCC(=O)Nc2ccc(-c3coc(C#N)c3)cc21,CHEMBL486915
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O,CHEMBL3403692
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N(Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-],CHEMBL2348870
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018943
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1,CHEMBL270450
+c1coc(-c2nc3ccccc3nc2-c2ccco2)c1,CHEMBL305978
+Clc1ccc(-c2csc(N3CCOCC3)n2)c(Cl)c1,CHEMBL3323478
+Cc1cnc(-c2cccc(Cl)c2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL238946
+CCCCOc1ccc(-c2ccc(C(=O)O)nc2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL1079766
+O=C(O)c1ccc(-c2cn3ccnc(-c4c(Cl)cccc4C(F)(F)F)c3n2)cc1,CHEMBL3598146
+CCc1sc(C(=O)Nc2ncccc2O)cc1C,bindingdb_1000355
+Cc1cc(OC/C=C(\C#Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL1081963
+CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)[C@@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,CHEMBL3605562
+C#C[C@]1(O)CCC2C3CC[C@H]4Cc5sc(S(C)(=O)=O)cc5C[C@]4(C)C3CC[C@@]21C,CHEMBL294941
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(O)c1,CHEMBL3358936
+CN1C(=O)[C@@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_654062
+Cc1cc(O)cc2c1-c1ccc(O)c(C)c1OC2C,CHEMBL380362
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ncccn1,bindingdb_651537
+O=C(N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)C1(O)CCS(=O)(=O)CC1,CHEMBL3938756
+CCCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,CHEMBL490198
+CCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114123
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)nc2)N1CC1(F)COC1,bindingdb_402034
+Cc1ccc(NC(=S)N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)cc1,bindingdb_999712
+CCn1nc(C(=O)NC[C@H]2CC[C@H](N[SH](=O)=O)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183463
+CC(N=C(N(C)C)N(C)C)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653994
+Fc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,bindingdb_672302
+C[C@H](CN1CC[C@@H](CF)C1)Oc1ccc([C@H]2c3ccc(O)cc3CC[C@H]2c2ccccc2)cc1,bindingdb_961191
+Cc1occc1C(=O)NN=Cc1ccc(Br)s1,bindingdb_112209
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1ccccc1F,bindingdb_653919
+CSc1ccccc1-c1nc(-c2ccncc2)no1,bindingdb_999734
+CC1(CN)CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645210
+Cc1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nn1C[C@H](O)CO,bindingdb_647842
+Oc1ccc(C23CCCC(CC2)CO3)cc1,CHEMBL4283040
+COC1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_647357
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CCS(=O)(=O)C1,bindingdb_654107
+COc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1C,bindingdb_403952
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2)C(F)(F)F,bindingdb_649825
+Cc1cc(Br)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206410
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,DB04216
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1)C(=O)O,CHEMBL80671
+Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cccc21,CHEMBL3793036
+CN(C)CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL231515
+O=C(N/N=C/c1ccsc1)c1ccccn1,bindingdb_69089
+CC(=O)N1CCC(O)(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646831
+CC[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL391795
+O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(Cl)cc1Cl,bindingdb_1026178
+CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1,CHEMBL2178352
+O=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(Cc1cccnc1)C2,CHEMBL1544707
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1,CHEMBL3581684
+COC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL404568
+c1ccc(CNc2ncnc3ccccc23)cc1,bindingdb_584015
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(C3COC3)cc2C1=O,bindingdb_1127485
+CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,CHEMBL1016
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC3(C(F)(F)F)CC3)ccc2O1,bindingdb_647102
+Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,CHEMBL471488
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCCC(=O)OC)cc3)C[C@@]21C,CHEMBL499452
+CCCCN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C,CHEMBL362745
+CCCCCCCCCCCCCCCCCC(=O)O,CHEMBL46403
+COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1,CHEMBL3311308
+CCCC1Sc2nncn2N=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL1928870
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263802
+CC1(C)[C@H]2CC[C@]1(c1cncc(-n3ccc(CNS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649050
+CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL479207
+Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nn2C)ccc1OC(C)(C)C(=O)O,CHEMBL462580
+CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21,CHEMBL1461574
+O=C(O)COc1ccc(SCc2ccc(OCc3ccc(F)cc3C(F)(F)F)cc2)c2c1CCC2,CHEMBL392950
+CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426636
+COc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccc(F)cc3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1,CHEMBL218231
+O=C(O)c1ccc(-n2nc(Sc3c(Cl)cccc3Cl)c3ccccc32)cc1,CHEMBL3942787
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCc2ccccc21,CHEMBL503676
+Oc1ccc2c(c1)SCCC(c1ccc3occc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403558
+O=C(O)[C@H]1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)CC1,bindingdb_647675
+CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1,bindingdb_653000
+Cc1c(-c2ccc(C(=O)O)cc2)c2ccccc2n1C(=O)c1ccccc1C(F)(F)F,bindingdb_653364
+CC(C)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL243970
+C=CC(=O)c1ccc(CCCCCCCC)cc1,CHEMBL237241
+Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,bindingdb_108122
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C3COC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_648855
+Nc1nc(-c2ccc3ccccc3c2)cs1,CHEMBL1372017
+CC1Cc2c([nH]c3ccccc23)C(c2c(F)cc(O[C@H]3CCN(CCCF)C3)cc2F)N1CC(C)(C)F,bindingdb_17616
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H](OC(=O)c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)[C@H]3C4)sc2c1,bindingdb_109219
+CSc1ccc(C2c3ccc(=O)c4c(C)oc(C)c4c3OC(=N)C2C#N)cc1,bindingdb_830902
+Cc1nn(-c2ccccc2)c2ncc(C(=O)NC3CCCCC3)c(Cl)c12,bindingdb_417467
+CC[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL382097
+CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)n[nH]c1=O,CHEMBL3261322
+CCN(C[C@@]12CC[C@@H](c3cc(-c4ccccc4F)nnc31)C2(C)C)C(=O)c1c[nH]c(=O)cn1,bindingdb_649928
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(Br)cc3)C2)c1)C(=O)O,CHEMBL484462
+CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1,bindingdb_583967
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCC4CC5CCC4C5)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651569
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)C(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019124
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CSC3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_649914
+CC[C@H](C)C1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(Cl)cn1,bindingdb_270741
+CC[C@H]1c2ccc(C(=O)NCc3ccc(S(=O)(=O)NC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271217
+CCn1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1182832
+Oc1ccc2c(c1)SCCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401066
+Cc1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1F,bindingdb_648011
+COc1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@@H](CC(C)(C)C(=O)O)[C@H]2C)ccc1F,bindingdb_646562
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(Cl)c1Cl,CHEMBL1760399
+CCOc1ccc(-c2cccc(N(CC34CCC(c5cnc(C(F)(F)F)nc5)(CC3)OC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017943
+O=c1nc(/C=C/c2ccc(Oc3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)cc(C(F)(F)F)[nH]1,bindingdb_403536
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)CC2)cc1)c1ccccc1,bindingdb_375342
+CN(C)C(=O)[C@H]1C[C@]1(c1ccc(C(OCc2c(F)cccc2F)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1,bindingdb_652928
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2nccs2)c1,CHEMBL400024
+Cc1ccc(-c2cccc(S(=O)(=O)C3(c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C3)c2)cc1,bindingdb_653821
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401666
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5cc(F)ccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_650377
+CC(C)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_645964
+COc1ccc(-c2ccc(CN(C(=O)CC(C)(C)C)c3nccc4cc(CCC(=O)O)ccc34)cc2)cc1C,bindingdb_1017513
+COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1,CHEMBL2323511
+CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1,bindingdb_511453
+CCCCOC(=O)NCCCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022132
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1,CHEMBL1382928
+CC(=O)N1CCN(c2ccc(CN3C4(CC[C@H](c5ccccc5)S3(=O)=O)CC4)c(F)c2)CC1,bindingdb_652577
+O=C(O)c1ccc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)cc1,bindingdb_1018523
+CCOc1ccc(-c2c(=O)n(O)c3ccccc3[n+]2[O-])cc1,bindingdb_999706
+CC1(C)CCC(C)(C)c2cc(C3COc4cc(C(=O)O)ccc4C3)ccc21,CHEMBL75527
+O=C(Nc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,bindingdb_958584
+CC(C)(C)OC(=O)/N=C(/NCCc1cc(NC(=O)Nc2ccncc2)no1)NC(=O)OC(C)(C)C,CHEMBL3741084
+CCOC(=O)c1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ncc1CC,bindingdb_1130813
+Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)n(C)n1,bindingdb_168509
+Oc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1,CHEMBL221626
+Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,CHEMBL466523
+CC(C)CN(Cc1ccc(N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2F)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647583
+CCc1ccc(CNC(=O)Cc2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1,bindingdb_68992
+CNC(=O)[C@@]12[C@@H](CN(c3ccc(C#N)c(C(F)(F)F)c3)S1(=O)=O)[C@H]1C[C@H](F)[C@@H]2C1,CHEMBL3902310
+CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL594288
+OCCC1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1,CHEMBL365484
+O=C1C(=O)N(Cc2ccco2)C(c2cccnc2)C1C(=O)c1cc2ccccc2o1,bindingdb_953777
+O=C(O)C(Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1,CHEMBL578860
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)O[C@@H](C)C3)nc1,bindingdb_1127657
+CCC(C)CCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1,CHEMBL3775385
+CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O,CHEMBL2337126
+COc1nc2ccc([C@](O)(c3cncn3C)C3CCN(S(C)(=O)=O)CC3)cc2c(Cl)c1CC1CCOCC1,bindingdb_54886
+CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1,bindingdb_584275
+CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC(C)C)cc2)n(C)c1C,bindingdb_1026190
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)cc2ccccc21,bindingdb_1004537
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2ccccc2Cl)n1,CHEMBL3944154
+CCC12CCC(=O)C(C(=O)OC)=C1c1ccc3[nH]ncc3c1C2,CHEMBL209650
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1,CHEMBL3764773
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2cc(O)ccc21,CHEMBL4167575
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OS(N)(=O)=O)c(C)c1Cl,CHEMBL3640904
+Cn1cc(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)c(C(F)(F)F)n1,bindingdb_649594
+Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(Cl)c(Cl)c2)o1,bindingdb_953752
+CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,CHEMBL44478
+Cc1nc(N)sc1N=Nc1ccc(Br)cc1,bindingdb_1000263
+O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1,CHEMBL1303477
+CCOc1ccc(-c2cc(CCCC(=O)NCCCOC)no2)cc1,bindingdb_760262
+C[C@H](CCCOS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1741114
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCC(N4CCC4)C2)C3)c(F)c1,bindingdb_647620
+CC(O)CC1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647488
+COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C)c3)oc1C)C(=O)C1CCCN21,CHEMBL1379474
+N#Cc1cc(-c2cc(F)c(O)cc2F)cc2ccc(O)cc12,CHEMBL194326
+CC(N=Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1,bindingdb_292648
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC,DB00294
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(NCC(N)=O)cc2)c(C)c1,CHEMBL1668074
+CCOc1ccc2nc(O)c(O)nc2c1,CHEMBL1347312
+N#CC1C(=N)Oc2c(O)cc3ccccc3c2C1c1ccsc1,bindingdb_672647
+COc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL469380
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1CC1(F)CC1,bindingdb_402483
+CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1,CHEMBL215582
+C[C@H]1[C@@H](CO)Oc2ccc(NC(=O)OCC(C)(C)C)cc2N1S(=O)(=O)c1cccc(C#N)c1,bindingdb_653861
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(O)cc2)c1=O,CHEMBL3856091
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)N4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018579
+COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccco4)nc3oc2c1,CHEMBL1391916
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cccc(Cl)c1)C2,CHEMBL3735564
+C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CHEMBL175890
+C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21,CHEMBL3758885
+Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc(Cl)cc1,CHEMBL3144992
+COc1cccc(CCc2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)c1,CHEMBL577578
+CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL247951
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCC1,bindingdb_648283
+Oc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc(O)cc3C2)cc1,CHEMBL197080
+CCOc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_401747
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCCN2CCOCC2)c1C,CHEMBL525262
+CCC(=O)c1ccc(OC(C(=O)O)c2ccccc2)cc1,CHEMBL427520
+CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)NCC3(CO)CCOCC3)c2)cc1,bindingdb_1018343
+CCOc1cc(C)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cn1,bindingdb_402729
+Cn1cc(-c2cccc(S(=O)(=O)C3(c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C3)c2)cn1,bindingdb_653831
+CS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270608
+Cc1ccccc1N=C(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3234614
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(CC(C)(C)O)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647040
+CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(F)(F)CC3)[C@@H](c3ccccc3)C2)c1,bindingdb_1004556
+Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)O,bindingdb_953833
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCC5(CC4)CC5)cc3Cl)cc2O1,CHEMBL176222
+N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,CHEMBL251940
+CCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4098470
+CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1,bindingdb_584302
+CCOC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1,bindingdb_584061
+N[C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(O)nn3)c2)c(Br)c1)C(=O)O,CHEMBL163228
+COc1ccccc1C(=O)c1sc(N)nc1-c1cccc(C(F)(F)F)c1,CHEMBL4228057
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(F)c(O)cc3OCC2)c(F)c1,bindingdb_403983
+C/C(=C\COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CCC(=O)O,bindingdb_1002061
+CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CHEMBL522990
+O=C1C(=O)N(CCCN2CCOCC2)C(c2ccc(Cl)cc2)C1C(=O)c1cc2ccccc2o1,bindingdb_953748
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_402300
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)(Cc2ccccc2)C(=O)O)cc1,CHEMBL81592
+O=C(NCC1CCCO1)c1cc(-c2ccccc2F)no1,bindingdb_1000305
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3N3CCOCC3)n3ccccc23)cc1O,bindingdb_998354
+COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C,bindingdb_649986
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184296
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@@H](CNC(=O)C1CC(F)(F)C1)O2)C(F)(F)F,bindingdb_648629
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4CCC4C3)cc2)cc1,CHEMBL184598
+Cc1cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)ccc1N(C)C,CHEMBL4161483
+Cc1cccc(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)c1,bindingdb_647478
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCCC(=O)O)O2,bindingdb_647199
+O=C(O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,CHEMBL4104364
+O=C(O)C1CCN(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3960372
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(Cl)cc1-3,CHEMBL318409
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1183582
+C=C1[C@H](O)CC(=C/C=C/CC(C)(C)C[C@@H](C)CCCC(C)(C)O)C[C@H]1O,CHEMBL1929240
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(CO)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645118
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cn1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651399
+Cc1ccccc1[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)nc1,bindingdb_1004700
+CCOc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL1215197
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(CC(F)F)CC3)cc2C1=O,bindingdb_1127514
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2,bindingdb_1017653
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC(=O)OC)cc3)C[C@@]21C,CHEMBL455175
+Cc1cc(-n2cnc3cc(O)cc(O)c3c2=S)ccc1O,CHEMBL206137
+CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1,bindingdb_292564
+CS(=O)(=O)c1cc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)ccc1F,bindingdb_1000267
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CNS(C)(=O)=O)c(C(F)(F)F)n1,bindingdb_1143440
+Oc1ccc(C2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL56198
+COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCN(c4cccc(C(=O)O)c4)C3)s2)cc1,CHEMBL1934485
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O,CHEMBL3588879
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4225889
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCOCC1,CHEMBL572355
+CCc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2312701
+COc1cc2c(cc1NC(=O)Nc1ccc(C)cc1)oc1ccccc12,bindingdb_958578
+N#Cc1ccc(CN(Cc2cccnc2)Cc2ccc(F)c(F)c2)s1,CHEMBL2381193
+CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3OC(F)(F)F)c(F)c2)cc1,CHEMBL3609412
+CCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672544
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-],CHEMBL2348878
+CCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccccc1,bindingdb_1183656
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N(C)C)ncc2[nH]1)C(F)(F)F,CHEMBL3358927
+CCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Oc1cncc(Cl)c1,CHEMBL2331559
+CCCN(C/C=C/C(C)=C/C(=O)O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C,CHEMBL204773
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc2ccccc2c1,CHEMBL589256
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,CHEMBL1163604
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c2ccccc12,DB08087
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206490
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC[C@H](n3cnnc3)[C@H](CO)C2)cc1F,bindingdb_649225
+O=C(O)c1ccc(N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1,bindingdb_645587
+N#Cc1ccc(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F,bindingdb_29775
+Cc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2cccc(Br)c2)no1,bindingdb_953804
+Cc1cc(OCc2nc(-c3ccc(OC4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1075683
+CN(C)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)c(C#N)c2)cc1Cl,CHEMBL3809494
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C)c1,bindingdb_401763
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccccc3)c1)CCC2,CHEMBL2312263
+Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(Oc3ccccc3)cc2)c1,CHEMBL2037325
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCCCC2)cc1,CHEMBL3317860
+Cc1c(N2C(=O)CC[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,bindingdb_506264
+CC(=O)Oc1ccc(/C(=C(/c2ccccc2)C(C)C)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL4071073
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL389998
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC[C@H](O)CO)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183198
+COc1ccc2c(-n3c(=O)n(-c4cccc([C@@]5(C)OC(=O)NC5=O)c4)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1947141
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cc[nH]n4)cccc3[nH]2)C1=O,CHEMBL3578297
+Cc1cc(-c2c[se]cc2-c2ccc(OCCN3CCCC3)c(C)c2)ccc1O,CHEMBL4278269
+O=C(O)c1ccc2c(c1)SCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403466
+Cc1ccc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C1CC1,bindingdb_1130767
+CC(O)(COC(=O)c1ccc(F)cc1)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1,CHEMBL221228
+CCO/N=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682424
+Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(c1OCC(=O)O)CCC2,CHEMBL232396
+CCOC(=O)C1=CN(C(=O)c2cc3ccccc3s2)CC(C)(C)c2cn[nH]c21,bindingdb_1019110
+CSCOC(CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL390199
+CC(=O)c1sc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)nc1C,CHEMBL374545
+COc1cc(Cl)c(-c2noc(C3CC3)c2CO[C@@H]2C[C@@H]3C[C@H]2CN3c2nc3c(F)cc(C(=O)O)cc3s2)c(Cl)c1,bindingdb_1018994
+CC(=C\C=C\C(C)=C\C(=O)O)/C=C1\CCCc2ccccc21,CHEMBL46397
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6cccc(OCCCCCCP(=O)(O)O)c6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_417263
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCOCC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827018
+Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1C,CHEMBL271394
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)n1)C(=O)O,CHEMBL3094410
+Oc1ccc2c3c(cnc2c1)-c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050057
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,bindingdb_124660
+Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)n1,bindingdb_953842
+Nc1cc2nn(-c3ccccc3)nc2cc1Cl,bindingdb_672465
+CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccc(C)o2)nc1C,CHEMBL2064743
+Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1,bindingdb_112060
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl,CHEMBL3581693
+Cc1ccccc1S(=O)(=O)Oc1ccc2ccc(O)cc2c1,CHEMBL1307538
+O=C(N[C@@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)c1ccncc1,bindingdb_648238
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(c4cc(F)ccc4Cl)CCC3)C(F)(F)F)cc12,CHEMBL3421892
+C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CHEMBL340002
+O=C(O)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)C1=O,CHEMBL4171282
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1cccc(F)c1Cl,CHEMBL520750
+O=C(c1ccccc1Cl)c1sccc1-c1ccc(Cl)c(Cl)c1,CHEMBL4293998
+CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(F)cc3)ccc21,CHEMBL4225912
+COc1ccc(C#C[C@]2(O)CC[C@H]3[C@@H]4OCC5=CC(=O)CCC5=C4[C@@H](c4ccc(N(C)C)cc4)C[C@@]32C)cc1,CHEMBL396983
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]65)C4)cc3)C[C@@]21C,CHEMBL265125
+COc1cc(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(CCN(C)C3CC3)c2)ccc1S(N)(=O)=O,CHEMBL2181931
+CC(C)c1ccnc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_1130802
+O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC3CC3)ccc2[nH]1,bindingdb_964739
+CC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O,CHEMBL1162443
+C/C(=C\c1csc(C(=O)O)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL316336
+CS(=O)(=O)c1cccc(Oc2cccc(-n3c(C(F)(F)F)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL605730
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2C(=O)CCC3)c(F)c1,bindingdb_646779
+CCOC(=O)Cc1nnn(CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@H](CC)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1,bindingdb_1018103
+CSCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CHEMBL1581440
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3cccc(C)c3C)CCC[C@@H]2C1,CHEMBL216179
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1Br)C(=O)N2c1ccc(C(=O)O)c(O)c1,bindingdb_206448
+Cc1cc(-n2c(C)cc(C(=O)CSc3ncnc4ccccc34)c2C)no1,bindingdb_539936
+CC(=O)N1CCN(c2ccc(CN3CCCCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1,bindingdb_647025
+CCN(CC)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1,bindingdb_401988
+Nc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1,CHEMBL380565
+CC(C)CN(Cc1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_649616
+Cc1cccnc1Nc1nc(-c2ccc(O)cc2O)cs1,bindingdb_1004982
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC3(C)CCC3)cc2C(F)F)s1,bindingdb_1183721
+Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL377883
+CCCSc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL462664
+CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933825
+C[C@@H]1CN(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC[C@H]1n1cnnc1,bindingdb_646076
+C=CCOC(Cc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228715
+COc1ccc(-c2ccc3oc(-c4ccc(OC)cc4)c(C#CCO)c3c2)cc1,bindingdb_539838
+Cc1ccc(C)c2oc(-c3nnc(-c4ccc(C(=O)O)cc4)o3)cc12,bindingdb_965530
+C[C@@H](COc1cccc(CC(=O)O)c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1,CHEMBL573587
+CC(=O)OCN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL271336
+Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cccc(c1)CCc1ccc-2c(O)c1,CHEMBL411246
+CN(C)c1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N,bindingdb_1004912
+O=S(=O)(Oc1ccc(Br)cc1)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4203715
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3957844
+CCCCOCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C,CHEMBL471422
+CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OC)cc1,CHEMBL315475
+CC(=O)N1CCN(c2ccc(CN(CC(F)(F)F)S(=O)(=O)C(C)c3ccccc3)c(F)c2)CC1,bindingdb_649234
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCS(=O)(=O)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54948
+O=C1CCN(C(=O)c2ccc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)CC1,bindingdb_654285
+N#Cc1ccc(OCCOc2ccc(CC3=C(O)C(=O)c4ccccc4C3=O)cc2)cc1,CHEMBL519968
+Fc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL28161
+COc1ccc(/C(=C(\CCCO)c2ccc3cnn(C)c3c2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3990757
+O=c1cc(-c2ccco2)oc2c1ccc1ccccc12,CHEMBL1339786
+COc1ccc(OCc2cccc(C(=O)O)c2)cc1,bindingdb_584336
+Cc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182919
+COc1cc(C(=O)NC[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)ccn1,bindingdb_649493
+CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2cccc(F)c2)CCC1=O,CHEMBL213457
+O=CC1=C(SC2CCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4,CHEMBL570358
+CSc1ccc([C@H]2OC[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL555872
+O=C(O)c1ccc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c2ncccc12,bindingdb_1018519
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1962561
+COc1cc(-c2nccs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220124
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c2C(F)F)s1,CHEMBL4127698
+CCCCCCCc1ccc(C(=O)C=C(C)C)cc1,bindingdb_26641
+CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1,CHEMBL3948254
+Cc1ccc(S(=O)(=O)Oc2cccc3c(O)cccc23)cc1,CHEMBL1405254
+O=C(O)c1cc(F)c(-c2nn(Cc3c(Br)cccc3C(F)(F)F)c3cccc(F)c23)cc1O,bindingdb_651683
+CNC(C)(C)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646965
+N#Cc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4097001
+CC(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL178309
+CC(=O)N1CCC(C(O)c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC1,bindingdb_651546
+CC#C[C@]1(C)CCC2C3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,bindingdb_430669
+CCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C,bindingdb_760478
+COc1cccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c1,CHEMBL373554
+CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3Cc3ccc(F)cc3F)s2)c1,CHEMBL3360963
+Cc1cc(NS(=O)(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2,CHEMBL2035883
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)c(C)c1,CHEMBL1668069
+CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CHEMBL1500466
+CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O,CHEMBL1173380
+C=CCC1Oc2cccc(CN)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8340
+COc1ccc(Cn2ncc3cc(/C=C4\SC(=O)N(C5CCC(C(=O)O)CC5)C4=O)ccc32)c(C(F)(F)F)c1,CHEMBL4161346
+C[C@]1(c2ccc(F)cc2)CN(C(=O)N2CCC(c3cccnc3)C2)C[C@H]1c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_647837
+CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(C(F)(F)F)c1,CHEMBL2203834
+CC(C)CO/N=C/c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3559022
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccccc32)cc1,CHEMBL373237
+CCOc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1C(F)(F)F,bindingdb_401317
+CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@@H]1C=CCCC1)Oc1c(F)cc(F)cc1-3,CHEMBL510305
+Cc1nnc(SCC(=O)Nc2ccc(Br)cc2)n(N)c1=O,bindingdb_1704
+O=C(O)C[C@H]1CC[C@@H](NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(-n4cccn4)nc3)nc3cc(F)c(F)cc32)CC1,bindingdb_846317
+COc1ccccc1-n1nnnc1S(=O)(=O)Cc1ccc(Cl)cc1,bindingdb_760492
+CCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL248856
+COC(=O)C(Cc1ccccc1)OC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1,bindingdb_1003760
+Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4243419
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)cc3)[C@H]3C[C@H](F)C3)c2F)[C@H](O)C1,bindingdb_988682
+CC(C)C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C,bindingdb_1183873
+Cc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)cn1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183857
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccsc2)c1,CHEMBL392063
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1,CHEMBL4099447
+Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1,bindingdb_999590
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O,CHEMBL1230314
+O=C(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL255751
+CCCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2,CHEMBL1401227
+Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1,bindingdb_539884
+CC(C)(O)C(=O)NC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn23)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645157
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F,bindingdb_647116
+C[C@H]1C(=O)CCN1c1ccc(C#N)c2ccccc12,CHEMBL3402230
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C[C@H](CNS(C)(=O)=O)O2,bindingdb_653513
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86
+Cc1cc(OCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL37013
+O=C(CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O)NS(=O)(=O)N1CCCC1,CHEMBL4161992
+COc1ccc(Cl)cc1-n1cc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1,bindingdb_356317
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(N2CCC(O)(C(F)(F)F)CC2)c2ncccc21,bindingdb_649205
+N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1,CHEMBL2315528
+COc1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1,CHEMBL191419
+O=C(O)c1cccc(NC(=O)C23CCC(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1Cl,bindingdb_1018441
+COc1ccccc1Nc1nnc(SCC2CCCCO2)s1,bindingdb_55628
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5cccc(Cl)c5)C[C@@]4(C(=O)SCF)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4213791
+O=C1COc2ccc(C3=C(c4ccc(F)cc4F)C(=O)OC3)cc2N1,CHEMBL2419303
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_651623
+C[C@]12CCC3C4CCC(=O)C=C4CCC3C1C1CC1[C@@]21CCC(=O)O1,bindingdb_430632
+Cc1cc(Cl)ccc1OCc1nc2ccc(F)cc2n1[C@H](C(=O)NC1CCCCC1)C1CCCCC1,bindingdb_846282
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1183279
+CS(=O)(=O)c1cc(-c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3C(F)(F)F)s2)ccc1CO,CHEMBL3814006
+CCO[C@@H](Cc1ccc(OCc2nc(-c3ccc(-c4ccccc4)s3)oc2C)cc1)C(=O)O,CHEMBL1813007
+Cc1cc(OCc2nc(-c3ccc(C(=O)N(C)C(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1075732
+CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O,CHEMBL2035874
+CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1,DB11541
+CC[C@@]12CCC(=O)C(c3ccccc3)=C1c1ccc3[nH]ncc3c1C2,CHEMBL211349
+CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O,CHEMBL2263556
+O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCC4)c3)c(Cl)c2)c(=O)[nH]1,CHEMBL124039
+CC1=CC(C)(C)Nc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL6441
+CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccccc3)C2)CC1,bindingdb_653732
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O,CHEMBL236876
+Oc1ccc2c(c1)CC[C@@H]1C[C@@](O)(C#CCl)CC[C@@]21Cc1ccccc1,CHEMBL77779
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OCc2ccccc2)c1,CHEMBL441554
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-],CHEMBL2348906
+Oc1ccc2c(c1)CCCC(c1cnc(C(F)(F)F)nc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401058
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1c2ccc(S(=O)(=O)CC3CC3)cc2CN1C(=O)C(F)(F)C1CC1,bindingdb_648324
+Cc1nc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)cc(C(F)(F)F)n1,CHEMBL3985591
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1184182
+C=C(C)CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL48283
+O=C1[C@@H](F)C[C@@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N1CCO,bindingdb_646967
+CC(C)(O)[C@H](F)CNC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(C#N)cc1,bindingdb_646598
+CC(C)(C(=O)O)C1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652041
+Cc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cc(C)c1F,bindingdb_650881
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2cccnc2s1,bindingdb_1143266
+COc1ccc2c(c1)CCC1=CC(=O)CC[C@]12Cc1ccccc1,CHEMBL78807
+CN1C(=O)COC(c2ccccc2)(c2ccccc2)c2cc(-c3ccc(C#N)n3C)ccc21,CHEMBL482831
+CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1,CHEMBL514696
+O=C(O)c1ccc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c2ncccc12,bindingdb_1018987
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SCC2)c(Cl)c1,bindingdb_403757
+Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1,CHEMBL323919
+COC1CN(C(=O)[C@H]2CCc3c(N4CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_651292
+CC(=O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1,bindingdb_1054316
+CC(=O)N1CCN(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)[C@@H](CO)C1,bindingdb_647136
+Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C,bindingdb_1000333
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(CC(F)F)c3)C2)CC1,bindingdb_652972
+CCN1CC2N(C(=O)C3CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_646217
+COc1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647814
+O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCC(F)(F)F,bindingdb_953756
+CC(=O)Nc1ccc(S(=O)(=O)C[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,CHEMBL339056
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)c(F)c1,bindingdb_511754
+CC(O)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651317
+O=C(O)C1CC=C(c2nn(C(=O)c3c(C4CC4)ccc(F)c3Cl)c3c2CCC(CO)C3)CC1,bindingdb_647563
+Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL1900054
+CN1CCC[C@@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,bindingdb_692015
+O=C1COc2ccc(C3=C(c4ccc(F)cc4)C(=O)OC3)cc2N1,CHEMBL2419302
+COc1ccc([C@@H]2CCCC[C@@H]2NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)cn1,bindingdb_649966
+CS(=O)(=O)Nc1cccc2cc[nH]c12,CHEMBL3605925
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CS(=O)(=O)CC4CC4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653869
+CC(C)c1cc(Oc2c(Cl)cc(N[C@@H](C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965545
+CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2c(C)cccc21,CHEMBL3289657
+CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)C(=O)O,CHEMBL4164343
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C)c1C,bindingdb_401629
+CC(C)(Oc1ccc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(F)(F)F)cc1)C(=O)O,CHEMBL376641
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H](C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645597
+C[C@H]1CCCC=CC2C[C@H](O)CC2[C@H](O)C=CC(=O)O1,bindingdb_584120
+Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C1CC1,bindingdb_69042
+CC(C)(C)OC(=O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CC(F)(F)C4)ccc23)CC1,bindingdb_648293
+CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL17206
+CCN(CC)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccc(F)cc1,bindingdb_1184161
+O=C(O)C12CCC(C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)(CC1)OC2,CHEMBL3916423
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2o1,bindingdb_1018830
+CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL376915
+Cc1cc(OCCCOc2cccc(Cl)c2)ccc1OCC(=O)O,CHEMBL4289610
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c1Cl)n2C,bindingdb_645898
+Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1,CHEMBL1607639
+O=C1c2ccccc2C(=O)N1c1cccc(CCc2ccc(O)c(O)c2)c1,CHEMBL575664
+CC(Oc1ccc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1)C(=O)O,bindingdb_1018182
+CCNC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3939223
+CC(C)c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)CC2c2ccccc2)cn1,bindingdb_125925
+CCc1nc[nH]c1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127400
+Cc1cc(OC/C=C\C(C#CCN2CCOCC2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL234692
+CCN(CC)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL4161624
+Cc1cccc(Nc2ccnc(SCC(=O)O)n2)c1C,CHEMBL88917
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1,CHEMBL3105801
+C[C@@H]1OC(=O)N(c2ccc(C#N)c(Cl)c2)[C@H]1[C@H](O)C(F)(F)F,bindingdb_506278
+CCCc1cc(-c2nc(C)c(C(=O)O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL222247
+CCOc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL3263757
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C[C@@]45CCC(CC4=O)C5(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263722
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1,CHEMBL435343
+O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)C1CCCCC1,CHEMBL4208017
+N[C@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12,bindingdb_647853
+COc1cc(NC(=O)Cn2ccsc2=N)c(C)cc1[N+](=O)[O-],bindingdb_1773
+CCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CHEMBL1087589
+CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)O,CHEMBL551420
+O=C(O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)c1ccccc1,CHEMBL202785
+Oc1ccc2cc(-c3nc4ccc(O)cc4o3)ccc2c1,CHEMBL187314
+O=C(O)c1cc(-c2cccs2)nc2ccc(Br)cc12,bindingdb_953885
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640893
+C[C@@]1(c2ccccc2)CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)c(Cl)c1,bindingdb_107867
+CCS(=O)(=O)c1ccc(C(O)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271110
+CC1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL227408
+CC(Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182972
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H](C#N)C(C)C)c2=O)nc1,bindingdb_649355
+COc1ccc(OCCNCCCF)c(C)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401679
+COc1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)NS(=O)(=O)C(C)(C)C)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647332
+CCN1/C(=C\c2ccc3ccccc3[n+]2CC)Sc2cc(C)ccc21,bindingdb_539924
+O=C(O)c1ccccc1CNC(=O)C12CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)(CC1)CC2,bindingdb_1017548
+CC1(C)CCCN1c1ccc(C#N)c2ccccc12,CHEMBL3402223
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC(C)c1ccccc1,bindingdb_760148
+O=C(O)Cc1coc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc12,CHEMBL234799
+Cc1nc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)ccc1OC=O,bindingdb_1017523
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(Oc5ccccc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018374
+c1ccc(-c2csc(-c3ccncc3)n2)cc1,CHEMBL1416100
+CCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O,CHEMBL1173499
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,bindingdb_430663
+Cc1nnc(C(C)N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)n1C,CHEMBL549554
+CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+](=O)[O-])c1=O,bindingdb_539875
+CCCCN(C(=O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl)c1cccc(C(=O)O)c1,CHEMBL2017541
+O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1,CHEMBL3393187
+Oc1ccc2c(c1)SCCC(c1cnc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403678
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654768
+Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2c(F)cccc2C(F)(F)F)s1,CHEMBL4228640
+Cc1cccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c1,CHEMBL220628
+Cc1ccc(-c2n[nH]c(=S)n2[N-]C=C[CH+]c2ccccc2[N+](=O)[O-])cc1,bindingdb_34111
+Oc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1,bindingdb_672481
+CCCCCCSc1cc(Cl)c(C(=O)CCN(C)C)c(Cl)c1,CHEMBL561052
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,bindingdb_650615
+Fc1ccc(C2=NOC3CCCCC23)cc1C(F)(F)F,CHEMBL2159572
+CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)N(C)O,bindingdb_88914
+CCCCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,CHEMBL489585
+CCCc1nc2cc(-c3ccc(O)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4094026
+CCc1c(O)ccc2c1c(=O)oc1c(C)c(O)ccc12,CHEMBL204902
+Cn1cc(S(=O)(=O)N2CC[C@H]3Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)nn1,CHEMBL4073311
+Oc1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccc(O)cc3OCC2)cc1,CHEMBL469511
+CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB13944
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL1090859
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(CC)CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4227214
+Cn1cc(N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL481107
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(C)(C)C)c2ccccc12,CHEMBL4127984
+N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4066740
+Cn1nc(C2CC2)cc1C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(-c4noc(C5(C)CC5)n4)c3)(CC1)CC2,bindingdb_1017675
+O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1c2c(nn1-c1ccccc1)CCN(S(=O)(=O)c1cccs1)C2,bindingdb_846247
+O=C(NS(=O)(=O)C1CCOC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018211
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(F)c3CCC2)c(C)c1,bindingdb_402494
+COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1Cl,CHEMBL3695915
+Cc1c(F)c(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682432
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1,CHEMBL3105803
+COC(=O)C(C)C/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL4100590
+Oc1cc2c(cc1F)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc3c(c1)CCN3)CCO2,bindingdb_401863
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12,CHEMBL3678136
+CCO[C@@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)N(C)OC,bindingdb_949604
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccc(F)cc3)cc2)cc1,CHEMBL4289622
+Cc1ccccc1NC(=O)c1cnc2ccccn2c1=O,bindingdb_584286
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)CO,bindingdb_403076
+COC1CN(C(=O)C2CCc3c(C4=CCC(C(=O)OC(C)(C)C)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_645969
+Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035058
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CNS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646100
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2Cl)c(C(C)(C)c2c(Cl)cccc2Cl)n1,CHEMBL3910597
+CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N,CHEMBL1577894
+C=C(c1cccc(OC)c1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765934
+O=C(OCc1ccccc1)N1CC[C@](c2ccc(I)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648244
+CCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(CO)c2)cc1)C(=O)NOC,bindingdb_88911
+COc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL3657139
+O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1,bindingdb_1004994
+CCOc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1018363
+COCC(C)NC(=O)c1noc2c1CCc1cc(OC)ccc1-2,bindingdb_982745
+CCc1ccc(NC(=O)c2noc3c2CCC3)cc1,CHEMBL1448466
+CCn1c(Oc2ccc(OC(F)(F)F)cc2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206389
+CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3(F)CC3)C4)sc2c1,bindingdb_1017690
+COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2C1C1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21,CHEMBL237122
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(F)c2)c(C)c1,CHEMBL1668066
+O=C(CN1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1,bindingdb_653435
+CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc1C(C)(C)C,bindingdb_645273
+Oc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1,CHEMBL1083885
+Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002135
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(CC)C(=O)O)c(C)c1C,CHEMBL1760269
+C[C@](O)(CO)CNC(=O)C[C@H]1CSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_649939
+O=C(O)C12CCC(C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)(CC1)C2,CHEMBL3963794
+Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934486
+CCOC(=O)CC(=O)c1ccc(C#CCCCC[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1,CHEMBL2326076
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3F)sc2CN1Cc1ccc(C#N)cc1,bindingdb_271062
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL4167608
+CCOc1nccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c1Cl,bindingdb_403718
+O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(Br)cc4)C2O3)cc1,CHEMBL3589363
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F,bindingdb_402354
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OCC)cc2)C1=O,CHEMBL3589804
+Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)no1,bindingdb_760534
+CS(=O)(=O)NC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018060
+COc1cccc([C@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC,CHEMBL427697
+COc1ccc2c(c1)CCc1c(C(=O)N3CCCCCC3)noc1-2,bindingdb_1005003
+Cc1cccc(C(=O)Nc2cc(-c3ccccc3)no2)c1,CHEMBL3218918
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)cc2C2CC2)s1,bindingdb_1182892
+CCCc1c(OCCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL196775
+CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccc(Cl)cc1C(N)=O,CHEMBL3358947
+Cc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OC3C=CC=C3)cc2)c2ccc(O)cc12,CHEMBL3657185
+Cc1cccc2c1O[C@@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12,bindingdb_1050087
+Oc1ccc2c(c1)CC[C@@H](C1CCOCC1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961231
+C[C@H](CO)NC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183870
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1,bindingdb_982740
+CCCCCCC#CC1=CC(=O)[C@H](CCCCCCC)[C@@H]1OCCCCCC(=O)O,CHEMBL520508
+CC(C)CN(c1ccc(C(O)(C#Cc2cncn2C)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070362
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc(NS(C)(=O)=O)c(C#N)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652891
+Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1,bindingdb_584331
+CCCCCS(=O)(=O)NC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018099
+O=C(O)c1ccc(-n2nc(S(=O)(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1,CHEMBL3986751
+O=C(O)c1ccc(-c2nn(Cc3cc(OC(F)(F)F)ccc3F)c3cccc(F)c23)c(F)c1,bindingdb_650362
+CC(C)C(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O,CHEMBL196373
+COc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12,CHEMBL183033
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4cccnc4)cc3)ccc21,CHEMBL219944
+CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315056
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)ccc1OC(C)(C)C(=O)O,CHEMBL237084
+O=C(c1c(Cl)cccc1C1CC1)c1nc(N2CC[C@@H](C(=O)O)[C@H](O)C2)c2c(Cl)cccn12,bindingdb_998304
+CCCO/N=C(\C)C(Cc1ccc(OCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O,CHEMBL388008
+CC(=O)N1CCC(C(N)=O)(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650639
+COCOc1ccccc1/C=C/C(=O)c1cc(F)ccc1O,CHEMBL4288948
+CC(C)(Oc1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1)C(=O)O,CHEMBL218784
+CC(C)S(=O)(=O)Nc1ncc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_649416
+C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652760
+CCc1ccc(C2=C(/C=C/C#Cc3ccc(C(=O)O)cc3)C(C)(C)CCC2)cc1,CHEMBL349935
+CCO[C@@H](Cc1ccc(OCCn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1)C(=O)O,CHEMBL355695
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1,bindingdb_481611
+CC1(O)CCC(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)CC1,bindingdb_125956
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1C(C)(F)F,bindingdb_1182939
+CC(C)(O)CC(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC2C1,bindingdb_650968
+O=C(O)c1ccc(C2CC2)c2nc(C34CCC(OCc5c(C(C6CC6)C6CC6)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018896
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)O)c(C(F)(F)F)n1,bindingdb_1143227
+CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/O)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL551781
+COc1ccc(C(C(=O)Nc2cc(F)c([Si](C)(C)C)c(F)c2)N(C)C(=O)c2cc(O)no2)cc1,CHEMBL4214211
+C=C(C)[C@H](O)[C@@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O1,CHEMBL3632958
+CC1CN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(OC(F)(F)F)cc4n3C)c2Cl)CCC1C(=O)O,bindingdb_206625
+C[C@H](c1ccc(N)cc1)c1ccc([C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)O2)cc1,bindingdb_430576
+COC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL271428
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL44426
+O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/OCc2ccccc2)cc1,CHEMBL3397557
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)nc1,bindingdb_270663
+CC[C@@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1,CHEMBL109241
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12,CHEMBL3699429
+CCc1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1182922
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)Cc4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263843
+Cc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)c1,CHEMBL221489
+CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1,CHEMBL1172426
+CN1C=[N+](C)[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl,CHEMBL355432
+CCCCCOc1nc2ccccc2cc1C(O)C/C=C\CCCC(=O)O,CHEMBL2219570
+Cc1ccc(C)n1-c1ccc(CCCC(=O)O)cc1,CHEMBL4167506
+CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NCCC(C)(C)C(=O)O)nc2CC2CCCCC2)c2ccccc12,bindingdb_648713
+Oc1ccc2c(c1)SCCC(c1cccc3[nH]ccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404193
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@@H]([C@H](O)C(F)(F)F)O2)C(F)(F)F,bindingdb_652282
+Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1,bindingdb_112105
+O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2c(c1)OCCO2,CHEMBL1368667
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NC(=O)c2ccccc2O)C3)cc2ccccc21,bindingdb_1000012
+COc1ccccc1C1SC(c2ccc(Cl)cc2)=NN1C(=O)c1c(F)cc(F)cc1F,CHEMBL242840
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(-c4c(F)cccc4F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_647460
+C#CC(=O)Nc1ccc(CCCCCC)cc1,bindingdb_481833
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263804
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(Cl)c1,bindingdb_404131
+CC12C=CCC1C1CCC3=CC(=O)CCC3(C)C1CC2,CHEMBL141998
+COc1ccc(CCc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)cc1OC,CHEMBL574341
+CC1(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(F)c1,CHEMBL319211
+C[C@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@@H]2O,CHEMBL135180
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4cc(C(F)(F)F)c[nH]4)ccc32)cc1,CHEMBL370443
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CCC3)c2F)[C@H](O)C1,bindingdb_988834
+CC(C)(C)NS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648318
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1,CHEMBL4165832
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNS(=O)(=O)C(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018282
+CCCCCS(=O)(=O)NC(=O)CCCCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933839
+CCCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(CC(CC)C(=O)O)cc1,CHEMBL1813198
+COc1nc2ccc([C@@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CC(C(F)(F)F)C1,bindingdb_653868
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(N)=O)cc1F,bindingdb_650775
+Cc1cc(SC(Cc2ccccc2)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O,CHEMBL4249120
+CC(C)CN(Cc1ccc(N2CCC(O)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317828
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2(C)COC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184019
+COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1OC,CHEMBL1345305
+Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035062
+C[C@]12CCC(C(=O)O)=CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)c1ccc(O)cc1,bindingdb_1017561
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12,CHEMBL3421871
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(C#N)ccn3)c(F)c2)cc1,CHEMBL4279772
+CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O,DB09006
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc12,CHEMBL3695772
+Cc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccccc2S(C)(=O)=O)cc1,CHEMBL1089901
+CC(C)c1ccc(-n2cc(C(=O)c3ccccc3O)nn2)cc1,CHEMBL2381370
+CC(C)(C(N)=O)c1ccc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)cc1,bindingdb_1018095
+CCC#CCOc1cc(COc2ccc(C(F)(F)F)cn2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL501982
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)n1,bindingdb_401581
+CC(=O)N1CCN(c2ccc(CN(CCN(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317845
+COc1nc2ccc([C@@](O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_654924
+O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2n1Cc1ccc(C(F)(F)F)cc1,CHEMBL374363
+C=C1c2ccccc2C(=O)N(C)c2ccc(CCCCCC)cc21,CHEMBL2171913
+N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12,bindingdb_1000280
+O=c1c2cc(O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,CHEMBL1329826
+Oc1ccc2c(c1)CCCC(c1ccc3[nH]ncc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404122
+CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)n1,bindingdb_1143280
+Cc1ccc(-c2noc(-c3cccs3)n2)cc1,bindingdb_1000360
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)cc1,CHEMBL381865
+COc1cc(OCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_402633
+O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5c(F)cccc5F)noc3C3CC3)C4)sc2c1,bindingdb_1017919
+Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1,bindingdb_1026146
+CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)nc1,bindingdb_206409
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2,CHEMBL3765146
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,CHEMBL2022858
+C(=Cc1c[nH]c2ccccc12)c1ccc2ccccc2n1,bindingdb_672653
+COc1cc2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2cc1C(=O)O,bindingdb_1018562
+CC(C)CN(Cc1ccc(N2CCC(CS(C)(=O)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654082
+CC(C)OC(=O)C1CN(C(=O)C2CCOCC2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL576636
+CC(=O)c1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12,CHEMBL371305
+O=c1c2c(OS(=O)(=O)C(F)(F)F)cc(O)cc2ncn1-c1ccc(O)cc1,CHEMBL378807
+O=C(N1CCC[C@H](CO)C1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645276
+Cc1noc(C)c1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1,bindingdb_401318
+CC(Nc1ccccc1)=C1C(=O)NC(Cc2cccc(F)c2)C1=O,bindingdb_69161
+O=C([C@H](O)C1CCCCC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648946
+CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccn1,CHEMBL515972
+C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@]43CCC5=O)[C@@H]1CC[C@@H]2O,CHEMBL397344
+COC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1,bindingdb_982763
+CC(C)N(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)C,CHEMBL2348893
+CC(C)(O)C#Cc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)cc1,bindingdb_112139
+CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1,CHEMBL3596616
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCNC1,CHEMBL4115190
+Cc1cccc(N(C)C)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_653470
+CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1,bindingdb_988690
+Oc1ccc([C@@H]2Oc3cccc(O)c3[C@@H]3CCC[C@@H]32)cc1,bindingdb_1050251
+CCCCCCCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_401294
+CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649998
+Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1,bindingdb_760281
+Oc1ccc2c(c1F)CCCC(c1ccc(SC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403802
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCCCC2)cc1[N+](=O)[O-],CHEMBL2348919
+Cc1nonc1CC(=O)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645666
+Cc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3793430
+C=CC(=O)Oc1ccccc1C(=O)OCCCCCC,bindingdb_481627
+O=S(=O)(Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,CHEMBL4210525
+CCC(Cc1cc(C)c(OC)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094483
+Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL243863
+CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1cccc(C(F)(F)F)c1,CHEMBL192025
+CC[C@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_651714
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(C(F)(F)F)c1,bindingdb_1017996
+CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,bindingdb_402119
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2Oc2c(F)cccc21,bindingdb_1054268
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncccc3Cl)cc21,CHEMBL4167706
+Cc1cc(NS(C)(=O)=O)ncc1-c1cncc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)n1,bindingdb_649126
+Oc1ccc2c(c1)CCCC(c1cccc(F)c1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401235
+O=C(COC(=O)C1CC2C=CC1C2)NCc1ccco1,CHEMBL1605526
+CCCCCn1c(=O)[nH]c2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL188220
+CC(C)[C@@H]1CN(c2ccc(CCO)c(S(C)(=O)=O)c2)CCN1c1ncc(C(C)(C)C#N)c(C(F)(F)F)n1,bindingdb_1143423
+CC(=O)N1CCCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,bindingdb_653450
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccccc4Cl)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017966
+O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1cccnc1,bindingdb_539863
+CONC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648857
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)C1,bindingdb_651800
+Oc1ccc2c(c1)SCC(c1ccc(F)nc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402217
+CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3907148
+Cc1c(/C=N/O)c2ccccc2n1-c1ccc(O)c(F)c1,CHEMBL232023
+COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F,CHEMBL263091
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1S(=O)(=O)C2,bindingdb_1019142
+Cc1c(C)n(Cc2ccc(-c3ccccc3-c3n[nH]c(=O)o3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699390
+COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC,CHEMBL392906
+CS(=O)(=O)c1ccc2c(c1)c(Oc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3947885
+Oc1ccc(N=Nc2ccccc2)o1,bindingdb_672422
+CC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)O)CCC1,CHEMBL333032
+O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1,bindingdb_584018
+CC(C)(Oc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1)C(=O)O,CHEMBL403909
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3cc(OC)ccc3OC)cc21,CHEMBL203431
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C#N)cc3)c(C#N)c12,bindingdb_18619
+C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(S(C)(=O)=O)cc1,CHEMBL3977631
+O=S(=O)(c1ccc(F)cc1)N1CCSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL4210791
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1,CHEMBL424957
+O=C1c2ccccc2-c2nc3ccccc3nc21,bindingdb_91225
+Cc1ccc2nc(-c3ccccc3)cc(O)c2c1,bindingdb_672428
+O=C(O)c1cncc(CC(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)c1,bindingdb_649468
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,CHEMBL418684
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)(C)C)cc3)C[C@@]21C,bindingdb_168415
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183028
+Oc1oc(-c2ccccc2)nc1C=Nc1nccs1,bindingdb_91263
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(OC(F)(F)F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263755
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C,bindingdb_645089
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(F)c(N(C)C)cc3F)C[C@@]21C,bindingdb_168579
+O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Br)o1,bindingdb_1005020
+CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647147
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4cccc(Cl)c43)c2)c(C(=O)O)c1,CHEMBL496534
+CCC(c1nncn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL557293
+O=[N+]([O-])c1ccc(C2=NN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1,CHEMBL212466
+O=C(O)c1cc(C2CCC2)c2nc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1019099
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1,CHEMBL1917414
+Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/c2n[nH]c(=O)o2)cc1,bindingdb_403921
+CC[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183442
+CC[C@@H](Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094468
+CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C,DB00926
+C[C@H](O)[C@@H](CO)NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647616
+O=C(O)c1ccccc1Nc1ccccc1Sc1ccccc1,bindingdb_93198
+COC(=O)c1c(C)nc(C)c(C(=O)CC2CCC2)c1-c1cccc2c(=O)cc(C)oc12,CHEMBL4094464
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC1(N(C)C)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652194
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1,CHEMBL3233278
+COc1cc(C(CC(=O)c2cccc(F)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1165799
+Cc1nc(-c2ccc(N)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL221254
+O=C1NC(=O)C(Cc2cc(I)c(Oc3ccc(O)c(Br)c3)c(I)c2)N1,CHEMBL258886
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1,CHEMBL594175
+O=C(O)c1ccc(-c2nn(Cc3c(F)cccc3C(F)(F)F)c3cccnc23)c(F)c1,bindingdb_651148
+COc1ccc(C(=O)O)c2ccc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc12,bindingdb_1017963
+CNC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL591815
+CCNC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL600851
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(CN2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206658
+Oc1ccc2c(c1)CCCC(c1ccc3nsnc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_400898
+CN(C)C=Nc1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1,bindingdb_108508
+Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)c2C(=O)O)cc1,bindingdb_1000038
+Oc1ccc2c(c1)SCC(c1ccc3c(c1)OC(F)(F)O3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401397
+CN1C(=S)OC(C)(C)c2cc(-c3cccc(Br)c3)ccc21,CHEMBL25454
+Oc1ccc(C2CCCC(O)CC2)cc1,CHEMBL4279577
+CCNC(=O)OC1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_646923
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(Cl)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC34)(CC1)CC2,bindingdb_646381
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@@H](O)C3)cc2)cc1,CHEMBL185114
+N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1,CHEMBL333484
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2F)cc1,CHEMBL2312716
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1,CHEMBL563595
+COc1ccc(-c2nc(SCCCCOc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081003
+CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(C(F)(F)F)cc3Cl)ccc2O1,CHEMBL189844
+CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(=O)O,CHEMBL445921
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2ccnn2)cc1,CHEMBL595440
+CCCN(C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348926
+CCCC[C@@]12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,CHEMBL211614
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(N4CCNC4=O)ccc23)c(F)c1,bindingdb_654545
+FC(F)(F)c1cccc(CN(CCCOc2n[nH]c3ccccc23)CC(c2ccccc2)c2ccccc2)c1Cl,bindingdb_1000277
+CCn1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)c(C)c32)c(Cl)n1,bindingdb_650232
+CCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_168394
+O=C([C@@H]1C[C@H]2CC[C@@H](C1)N2C1COC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648683
+O=C(Nc1ccncc1)[C@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653416
+Cn1c(C(C)(C)C2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)n[nH]c1=O,bindingdb_653449
+C[C@@H](NS(C)(=O)=O)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_646036
+CCC(N=Nc1ccccc1)c1cnnc(-c2ccccc2)n1,bindingdb_831423
+O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(-c2cccc(CN3CCNCC3)c2)cc1,CHEMBL1090238
+O=C(NCc1ccco1)c1ccc2nc3sc4c(c3c(=O)n2c1)CCCC4,bindingdb_584391
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(F)c2)c1,CHEMBL4173412
+CCSC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL325723
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(NC)n1,bindingdb_647575
+Oc1ccc2nc(-c3cc(F)c(O)c(F)c3)cc(Br)c2c1,CHEMBL198088
+COc1ccc(NC(=O)C2CCN(c3nc(C)nc4c3CCC4)CC2)cc1,CHEMBL1375161
+c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)nc1,bindingdb_760221
+CC[C@@]12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2,CHEMBL214034
+Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL261555
+Oc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1,bindingdb_539845
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC4CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263850
+CC1=C(c2ccc(O)cc2)C(=O)c2c(O)cc(O)cc21,CHEMBL371788
+CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COc2ccc(N)cc2)O1,bindingdb_168463
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3C(F)(F)F)cc12,CHEMBL3699354
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NCC(C)(C)C(F)(F)F)cc2C(F)(F)F)s1,bindingdb_1183554
+Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1,bindingdb_760529
+CCn1c(CN2CCC(C(F)(F)F)CC2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206684
+COC(=O)/C=C/c1ccnc(N(Cc2ccc(-c3ccc(N(C)C)nc3)cc2)C(=O)C2CCOCC2)c1,bindingdb_1018773
+COc1cccc2c1-c1ccc3c(c1C(CC1=CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL49632
+Cc1ccc(CN(C(=O)c2cc3cccc(F)c3[nH]2)C(C)C)o1,CHEMBL3318067
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_651083
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4C(C)(C)C)ccc1c23,CHEMBL3234257
+CC(C)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,bindingdb_652244
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(C)c1,CHEMBL3813703
+COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(c4ccc(O)c(C)c4)=C(c4ccc(O)c(C)c4)[C@@H]2[S+]3[O-])cc1,CHEMBL2031531
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1,CHEMBL3764792
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C(F)(F)F)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640885
+O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1O,bindingdb_651929
+O=C(O)c1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)c3c(F)cccc32)cc1,bindingdb_651171
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)C2)cc1)c1ccccc1,bindingdb_692012
+O=C1C=C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2(Cc2ccccc2)CC1,CHEMBL247233
+CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3ccncc3)cc2Cl)ccc1O,CHEMBL3613428
+O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1,bindingdb_1026222
+CS(=O)(=O)c1cc(F)cc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL590828
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(Oc2ccccc2)cc1,CHEMBL182827
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4C(F)(F)F)no3)cc12,bindingdb_965497
+CC1C(=O)NCCN1C(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646645
+Cc1cccc(C(=O)Oc2ccc3ccc(O)cc3c2)c1,CHEMBL1466543
+Cn1c(SCC(=O)[C@@]2(OC(=O)c3ccco3)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL1917252
+Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(O)cc12,CHEMBL3287132
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,DB08867
+COc1ccc(C(=O)CC=Nc2cccc(C)n2)cc1OC,bindingdb_982655
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)ccc1Cl,bindingdb_401401
+COc1ncc(C#N)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1645400
+N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)nc3)C2=S)cc1C(F)(F)F,bindingdb_18672
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)nc1,bindingdb_1127579
+CCOc1cc(/C=N/n2nnnc2N)ccc1OCc1c(C)n[o+]n1[O-],bindingdb_292657
+CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C[C@@H](F)C(C)(C)O)C2=O,bindingdb_1127575
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,CHEMBL216272
+CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348924
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O,CHEMBL2314754
+CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL215789
+CCCCC(Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O,CHEMBL1819390
+COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)N[C@H]2CC[C@@H](CC(=O)O)CC2)C2CCCCC2)c(OC)n1,bindingdb_846315
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(-c4cc(C(F)(F)F)c[nH]4)cc3)c3cccnc32)cc1,CHEMBL426105
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271098
+C[C@]1(O)C[C@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_649777
+Oc1ccc2c(c1)CCCC(c1ccccc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403599
+O=C1CCC(=O)N1CCCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1087682
+Cc1cc(SC(CCCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037580
+O=C1Nc2ccc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)c3cccc1c23,CHEMBL3234240
+CC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL1672542
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCc3ccccn3)c2)c(Br)c1,CHEMBL238179
+CCn1nc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1C(=O)O,bindingdb_1018145
+COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)O,DB08175
+CC(=O)N1CC(C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_651442
+CCOc1sc(C2CC2)nc1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647554
+O=C(c1ccc(F)cc1)N1CCSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL4208603
+CC(C(N)=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646143
+CC1CC(c2ccc(Cl)c(Cl)c2)=NN1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL190198
+CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_651324
+Cc1c(Cc2cccc(OCC(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1C(=O)c1ccc(Cl)cc1,CHEMBL556073
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCOCC4)cc3Cl)cc2O1,CHEMBL179657
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(O)cc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3797968
+Nc1ccccc1-c1csc(N2CCOCC2)n1,CHEMBL3323475
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2S(=O)(=O)CCC3)c(F)c1,bindingdb_652927
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1F,CHEMBL598371
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc5sc(C)nc5c4)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1018171
+Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-],bindingdb_831063
+CC[C@@]12CCC(=O)C(Cl)=C1c1ccc3[nH]nc(F)c3c1C2,CHEMBL211887
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC3C1)C2,bindingdb_650803
+O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1,bindingdb_45578
+COc1cc(O)c(C(CC(=O)N2C[C@H](C)C[C@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2326408
+Oc1ccc2c(c1)CCCC(c1ccc(OCCF)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401729
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc4c(c2)OC(F)(F)O4)[C@H]3C(C)C)nc1,bindingdb_206229
+O=C(Nc1ccc(N2CCCC2)cc1)C(c1ccccc1)c1ccccc1,CHEMBL1417890
+Cc1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1,bindingdb_112186
+c1ccc2nc(-c3nc4ccccc4o3)ccc2c1,bindingdb_584195
+CCC(C)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3c(C4CC4)ncnc3C3CC3)nc21,bindingdb_648970
+O=C(O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(CO)c1,bindingdb_1017908
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4cccc(OC(F)(F)F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263617
+COc1ccc(OC)c(C2c3nnnn3CCN2Cc2ccccc2F)c1,bindingdb_652101
+COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(N)=O,CHEMBL3263763
+CN(Cc1cnn(C)c1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_649959
+Nc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)n1,bindingdb_402139
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1,bindingdb_584032
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(F)cc3F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087289
+CCCN(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1,CHEMBL4209406
+Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)o1,CHEMBL1330042
+CCOC(Cc1ccc2c(c1)cc(C)n2Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(=O)O,CHEMBL212813
+CCC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_1004668
+O=C(O)c1cccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c1,CHEMBL1668242
+CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc21,CHEMBL3314031
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2cncs2)c(Cl)c1,bindingdb_475748
+O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O,CHEMBL1531320
+COc1cc(SC(C)C)ccc1C#N,CHEMBL445429
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(F)CF,bindingdb_403226
+c1cncc(CNC2CCCC2)c1,bindingdb_112142
+CC(=O)NC(C)(C)[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647074
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1,CHEMBL176075
+CCCCCCCCCC(=O)Oc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL3775978
+CC(=O)N[C@@H](C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645853
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(C4COC4)CC3)c1Cl)n2C,bindingdb_206484
+CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1,CHEMBL1916251
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccccc1C(F)(F)F,2p15
+N#Cc1ccc(CC(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cc1,bindingdb_648474
+O=C(O)c1cccc(N2CCCC(CNC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)c1,CHEMBL1934309
+Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)(C)O)CC4)c3Cl)nc12,bindingdb_646985
+CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1,bindingdb_584085
+O=C(CNc1ccccc1)Nc1ccc(F)cc1,bindingdb_1005025
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@]1(C)C2,CHEMBL361855
+Oc1ccc(-c2cc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccc(O)cc3)[se]2)cc1,CHEMBL4278346
+CCCC12CCC(=O)C(C)=C1c1ccc3[nH]nnc3c1C2,CHEMBL212392
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(Cc3ccc(=O)[nH]n3)c1)CCC2,CHEMBL2312262
+CS(=O)(=O)n1ccc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21,bindingdb_999633
+COc1ccc(-c2nc(COc3ccc4c(CC(=O)O)cccc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1080033
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4204087
+CC(C)(C(=O)NC(=O)NC1CCCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054321
+COC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL67948
+O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,CHEMBL1668250
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2ccc(OC)c(C#N)c2)cc1,bindingdb_270576
+Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)oc1C,bindingdb_760291
+Cc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1,bindingdb_45575
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N2CC(F)(F)C2)cc1OC,bindingdb_1183394
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(OC)cc3)CC2)cc1)C(=O)O,CHEMBL489364
+O=C(c1cccc2ccccc12)N(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2059561
+CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL205725
+CCCC[Si]1(CCCC)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3586247
+O=C(O)C(Cc1ccccc1Br)Oc1ccc(Cl)cc1,CHEMBL486364
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3sc(-c4ccc(Cl)cc4)nc3C)c2)cc1,CHEMBL1090212
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL591582
+CC(=O)NCc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@H](C(C)C)C2)cc1S(C)(=O)=O,bindingdb_1131006
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CN(C)C1=O,CHEMBL3403687
+COc1ccc(CCNC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1,bindingdb_1711
+CCS(=O)(=O)c1ccc(C(CO)(CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270872
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(C)c1,bindingdb_402003
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N2CC(OC(F)F)C2)cc1OC,bindingdb_1183767
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)C(=O)O,bindingdb_401055
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cc1n[nH]c(=O)[nH]1,bindingdb_652846
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C,CHEMBL1391501
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1cnc(C2CC2)cn1,bindingdb_1143379
+COCC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653199
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3c(O)cccc3o2)c1)C(=O)O,CHEMBL392810
+O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)cc1F,CHEMBL451496
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)cc1F,bindingdb_403568
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OCC3(C(F)(F)F)CC3)ccc2O1,bindingdb_646566
+CCCCCCC[C@H]1C(=O)C=C(I)[C@@H]1OCCCCCC(=O)O,CHEMBL485155
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H](C)[C@H](C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183314
+Cc1ccccc1N1CCN(C(=O)CS(=O)Cc2c(C)noc2C)CC1,bindingdb_25329
+COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,bindingdb_55623
+O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCc5ccccc54)c3)c(Cl)c2)c(=O)[nH]1,CHEMBL237096
+COc1ccc(CCNc2ncnc3c2oc2ccccc23)cc1OC,bindingdb_539910
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1,CHEMBL4175305
+C[C@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1074206
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_651188
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Br)cc1-3,CHEMBL62761
+Cc1cc(C2(c3ccc(O)c(C)c3)CCCC2)ccc1O,CHEMBL2403358
+Cc1ccc(-c2nc(CCCCCO/N=C(/CCC(=O)O)c3ccccc3)c(C)o2)cc1,CHEMBL520272
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCC3CCCCC3)c1)CCC2,CHEMBL2312280
+CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c1ccn2C,CHEMBL373591
+O=c1c2c(O)cc(O)cc2ncn1-c1ccccc1,CHEMBL378572
+Cc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1,bindingdb_760161
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1,CHEMBL2375951
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc12,CHEMBL3695897
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(O)CC1)O2)C(F)(F)F,bindingdb_645975
+C[C@@](Cn1cc(N)cn1)(OC(=O)CCl)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_476062
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn(CC(F)(F)F)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646586
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(=O)C(F)(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_271056
+CCOc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(Cl)cc1,bindingdb_1183221
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,bindingdb_584473
+Cc1cncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c1,bindingdb_404012
+CC1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419305
+Cc1nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1,CHEMBL1825108
+CC(C)C1CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCO1,bindingdb_647200
+C=C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL246140
+CC1=C(c2ccccc2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4169959
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(Br)ccc23)cc1,bindingdb_654829
+Clc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1,bindingdb_760232
+COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1OC)CCc1ccc-2cc1,CHEMBL258527
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(C(C)(C)C)cc2)cc1,CHEMBL1080356
+CCCOc1ccc(C[C@H](CCc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2158959
+CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2c1cn(C)c2ncc(NC(=O)c3cccc(C#N)c3)c(C(F)(F)F)c12,bindingdb_648445
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](C[C@](C)(O)C(=O)O)O2)C(F)(F)F,bindingdb_646069
+Cc1ccccc1-c1nc(-c2ccc(Br)o2)no1,bindingdb_999747
+O=C(O)c1ccc(OCC2CC2)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1017824
+Cc1oc(-c2ccc(Cl)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1,CHEMBL271775
+CCCc1c(OCCCN2C(=O)Cc3cc(C(=O)O)ccc32)ccc2c(C(F)(F)F)noc12,CHEMBL207382
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL201013
+CC(C)(O)CNC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653351
+CCO[C@@H](Cc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1C)C(=O)O,3fej
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1,CHEMBL104850
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2F)N1CC1(F)COC1,bindingdb_401818
+Cc1cc2c(cc1O)OCCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403833
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(=O)N1CCCC1,CHEMBL481924
+CCCN(C(=O)c1csc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1ccccc1,CHEMBL2070090
+Cc1cc(OCc2cc(C(=O)NCc3cc(C(C)C)no3)no2)cc(C)c1Cl,bindingdb_1000334
+CC(CCCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)C(=O)O,CHEMBL4203239
+Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1,bindingdb_55719
+CC(C)[C@@H]1CN(c2cc(S(C)(=O)=O)c(CO)cc2F)CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,bindingdb_1143304
+Cc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1,bindingdb_583975
+CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL394296
+O=C(O)c1ccc(N2C=C(C(=O)c3c(Cl)cccc3Cl)C3C=CC=CC32)c(F)c1,bindingdb_647300
+C[S+]([O-])c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL496463
+CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,bindingdb_584263
+CCCCCCc1ccccc1N1C(=O)c2ccccc2C1=O,CHEMBL245943
+CN(C)[C@@H]1CCN(C(=O)C2CCc3c(C4=CCC(C)(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_646788
+O=C(Nc1cnc2ccccc2c1)c1ccco1,CHEMBL1402732
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1,CHEMBL426632
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(C(F)F)c1)C(F)(F)F,bindingdb_645088
+COC1(C(=O)N2CC[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCC(C(=O)O)CC1,bindingdb_653314
+Cc1ccc([C@](O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)c(C)n1,bindingdb_648383
+CC(C)[C@@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL361601
+CCC(Cc1ccc2ccccc2c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094480
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL218230
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)c1,CHEMBL3398446
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])c(F)cc1-3,CHEMBL328804
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4ccccc4F)CC3)c3cc(Br)ccc32)cc1,bindingdb_846318
+COc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1,CHEMBL1800980
+CC(O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,CHEMBL218400
+CCN(CC)c1ccc(/C(C)=N/NC(=O)c2ccc(O)cc2)cc1,CHEMBL364318
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,CHEMBL559718
+COCCCNC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1,CHEMBL1489063
+CCCOC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F,CHEMBL3826990
+Cn1c2c(c3cc(O)ccc31)CSc1cc(Br)ccc1-2,CHEMBL210634
+Cc1c(O)ccc2c(Cc3ccc(/C=C/C(=O)O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12,CHEMBL3427408
+O=C(O)c1ccc(COc2ccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)cc2)cc1,CHEMBL214465
+Cc1noc(COc2cccc(F)c2F)c1-c1ccc(CNS(=O)(=O)C2(C)CC2)cc1,5l7g
+Oc1ccc2c(c1)OCCC(c1cccc3[nH]ccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401954
+Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F,CHEMBL3093441
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ncc(Cl)cc1Cl)c1ccccc1,CHEMBL1821836
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(S(C)(=O)=O)c3)c3ccc(Cl)nc32)cc1,CHEMBL197823
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(NC3CC3)cc2)c(C)c1,CHEMBL1668073
+CC1CCCCN1C(=O)CSc1nnc(-c2ccccc2O)o1,bindingdb_1000060
+CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n(C3(C)CC3)c2n1,bindingdb_646279
+CCCc1c(OCCCCOc2ccc(CC(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12,CHEMBL173159
+C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,CHEMBL135732
+Cn1c2c(c3cc(F)ccc31)CSc1cc(C(F)(F)F)ccc1-2,CHEMBL377611
+CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1,bindingdb_584229
+CCCCCCSc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl,CHEMBL569845
+Oc1ccc(-c2noc3ccccc23)c(O)c1,CHEMBL365293
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccc(-c3ccccc3Cl)o2)cc1,CHEMBL397120
+CCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1OC,CHEMBL3596625
+O=C(O)C(Cc1ccccc1)Oc1ccc(/C(=N/O)c2ccccc2)cc1,CHEMBL3397561
+Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccccc4C)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL472399
+CCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)O)ccc21,CHEMBL451216
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CCC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184167
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4)no3)cc12,bindingdb_965519
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)OCC(=O)N2,CHEMBL521141
+CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)noc12,CHEMBL197496
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3O)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695792
+C[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227088
+Cc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(/C=C/c4cc(O)cc(O)c4)cc2)=C3c2ccc(O)cc2)c1,CHEMBL4209719
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCNC1,bindingdb_646982
+CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647021
+Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)c1ccc(Cl)cc1Cl,bindingdb_481673
+C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@H]4C[C@@](C)(O)C(=O)N4CCc4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,5gic
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206687
+CC(C)[C@H]1c2ncc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127470
+Cc1cccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc12,CHEMBL1946571
+CCNS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648936
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2c(OCCN3CCCCC3)cccc12,CHEMBL394213
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)N1,bindingdb_846245
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(C#N)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1,CHEMBL2070452
+Cc1nn(C)c2ncc(C(=O)NC3CCCC3)c(Cl)c12,bindingdb_417606
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(OC)cc3)C2)c1)C(=O)O,CHEMBL519857
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=S)NCCCC)cc3)C[C@@]21C,CHEMBL454167
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(C(O)C(=O)O)cc2)c1,bindingdb_757567
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)cc1Cl,CHEMBL561051
+Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3cccc(F)c3)ccc2c1,CHEMBL390021
+Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL395560
+Oc1ccc(-n2cnc3cc(O)cc(O)c3c2=S)nc1,CHEMBL203724
+CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21,CHEMBL4211599
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3[N+](=O)[O-])cc21,CHEMBL203240
+CC[C@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192291
+NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1NC(=O)c1ccccc1,bindingdb_830957
+COc1cc(C)ccc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_652077
+O=C(O)Cc1ccc(CNc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757621
+O=C(O)Cc1cc(Br)c(N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c(Br)c1,CHEMBL2087283
+C=CC(=O)Nc1ccc(CCCCCC)cc1,bindingdb_481578
+CCN(CC)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3991351
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(CCS(N)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653177
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)c1,CHEMBL3335625
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4cccc(C(=O)O)c4)cc3)C[C@@]21C,CHEMBL389545
+CCCc1cc2c(=O)n(C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1,CHEMBL427530
+O=C(C1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)F)co2)c1,bindingdb_1018980
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccsc1,CHEMBL233390
+C[C@]12CC[C@@H]3C4CC=C(O)C=C4CC[C@H]3[C@@H]1CCC2O,bindingdb_402416
+COc1cc(N[C@H](C)C(F)(F)F)ccc1-n1c(CC(C)C)nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c1Cl,bindingdb_1183142
+CC1(NC(=O)c2cccnc2)CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_653039
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(C(=O)NO)cc1,CHEMBL4244181
+CCCCN(c1c(C)cc(C)c(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760420
+CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl,CHEMBL1483607
+CC(=O)N[C@H](C)[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646426
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl,CHEMBL233659
+COc1cc(S(=O)(=O)N2C[C@H]([C@H](CC(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_645113
+Clc1cccc(-c2nc(-c3ccccn3)no2)c1,bindingdb_584231
+CO[C@@H](C)C(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,bindingdb_650428
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC13)C2,bindingdb_648731
+CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)cc1C,CHEMBL3951072
+C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL450940
+CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CCC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183220
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC(O)CC1,bindingdb_647987
+CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C3CC(OC)C3)c2)cn1,bindingdb_1019049
+CC1NC(=O)C(c2ccc(F)cc2)=C1c1cc(F)c2c(c1)NC(=O)CO2,CHEMBL2419299
+CCCC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2,CHEMBL380032
+CC(C)c1cc(Oc2c(Cl)cc(-c3cc(=O)[nH]o3)cc2Cl)n[nH]c1=O,bindingdb_965559
+CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1,CHEMBL202894
+CN(C)c1ccc(CN2CCn3nnnc3C2c2ccc3c(c2)OCO3)cc1,bindingdb_653674
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL220281
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,CHEMBL564112
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c(Cl)c1,CHEMBL4126040
+COc1ccc(-c2nc(SCc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1,CHEMBL1080312
+CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426112
+O=S(=O)(Oc1ccc(-c2ccccc2)cc1)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4210242
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,CHEMBL64294
+Oc1cccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCCC3)cc2)c1,CHEMBL341367
+Cc1c(Cl)cccc1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12,CHEMBL389794
+O=S(=O)(c1ccc(F)cc1)[C@@]12CCN(c3ncccn3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_645261
+COc1ccccc1/C=C/C(=O)c1cc(F)ccc1O,CHEMBL4285137
+CC#C[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)[C@H](O)C1,CHEMBL457242
+CS(=O)(=O)N1CCC(C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_649402
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCNCC2)cc1)c1ccccc1,bindingdb_27798
+CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCCCC1,CHEMBL2070233
+CCCCCCSc1cc(C)c(C(=O)CCN2CCOCC2)c(C)c1,CHEMBL550846
+COc1ccc(C(CN(C)C(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1,CHEMBL4209557
+CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3Cl)cc2)c1,CHEMBL3360970
+CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL366145
+COC[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1COC,CHEMBL193703
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12)C(F)(F)F,CHEMBL4127282
+N#CC(NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)C(N)=O,bindingdb_651675
+N#Cc1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12,bindingdb_1069088
+Cc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)c1,bindingdb_953920
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC(N4CC(F)C4)C2)C3)CC1,bindingdb_646821
+Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)c1,bindingdb_831572
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(CNc2cccc3c(CC(=O)O)cccc23)c1,CHEMBL442437
+O=C(O)Cn1ccc2ccc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)cc21,CHEMBL201581
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3noc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652803
+O=C1C=C(N2CCOCC2)c2ccccc2C1=O,CHEMBL1454614
+CCCCC12CCC(=O)C(c3cccs3)=C1c1ccc(O)cc1C2,CHEMBL209429
+Cc1cc(SC(Cc2c(F)cccc2Cl)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037587
+CS(=O)(=O)N(Cc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1F)S(=O)(=O)CCc1ccccc1,bindingdb_652481
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(OCC(=O)NC)n1,bindingdb_653516
+Cc1cc(SCc2nc(-c3ccc(C(C)(C)C)cc3)ns2)ccc1OC(C)(C)C(=O)O,bindingdb_100340
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]21OC[C@H](c2ccccc2)O1,CHEMBL194114
+Cn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL2178798
+Cn1c(C#N)ccc1-c1ccc2c(c1)CCC/C2=N/O,CHEMBL1209180
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)C(COc1ccc(C(=O)OC)cc1)c1ccccc1,CHEMBL215130
+COc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)ccn1,bindingdb_403323
+NC(=O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_672626
+CC(C)(OC(=O)Nc1cc(F)c2c(c1)N(S(=O)(=O)c1ccnc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_649965
+Clc1ccccc1COc1cccc(-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1,CHEMBL549418
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1,bindingdb_1018901
+COc1ccc(CN(Cc2cccnc2)Cc2ccc(C#N)s2)cc1,CHEMBL2380321
+Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1,CHEMBL596592
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4227463
+CCN1C(=O)C(c2ccc(F)cc2)=C(c2ccc3c(c2)NC(=O)CO3)C1C,CHEMBL2419295
+CC1=C2c3ccc4[nH]nnc4c3CC2(Cc2ccccc2)CCC1=O,CHEMBL378473
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCc4ccccc43)C(F)(F)F)cc12,CHEMBL188085
+Cc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn2ncnc12,bindingdb_1018474
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4oc(C)nc4c3)C[C@@]21C,CHEMBL1950694
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccco2)c1,CHEMBL391264
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1,bindingdb_646712
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H]3C[C@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645554
+CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1,bindingdb_403451
+Cc1c(O)ccc2c1oc(=O)c1c(C)c(N)ccc12,CHEMBL380844
+COC(=O)c1c(-c2ccccc2)c(C)n(Cc2ccccc2)c1C,CHEMBL1934439
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(F)COC1,bindingdb_402304
+Cc1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nn1C[C@@H](O)CO,bindingdb_648187
+CC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc21,CHEMBL4206412
+O=C(O)C1Nc2c(O)cccc2C2C=CCC12,CHEMBL1527520
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=O)N2,CHEMBL67860
+O=C(O)/C=C/c1ccc(Oc2c(-c3cc(F)ccc3C(F)(F)F)sc3cc(O)ccc23)cc1,bindingdb_401049
+O=C(O)CCC/C=C\C[C@H]1[C@H](SC[C@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O,DB11425
+COc1cccc2nc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)c(C)nc12,CHEMBL1093916
+N#Cc1cc(F)cc(-c2ccc3c(c2)C(c2ccco2)(C(F)(F)C(F)(F)F)OCC(=O)N3)c1,CHEMBL530109
+CC(CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL241301
+COc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017559
+Cn1ncc(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1,CHEMBL3337725
+Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/C1CC1)[C@H](C(=O)O)C2,CHEMBL1963512
+COC(=O)c1ccc(CN2Cc3sc(C(=O)NCc4ccc(S(C)(=O)=O)cc4)nc3[C@@H]2C(C)C)cc1,bindingdb_270977
+COc1ccc(-c2nc(COc3ccc(OC(C)(C)C(=O)O)cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081410
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(Cl)c1)C(F)(F)F,bindingdb_645043
+Cc1cc(=O)oc2cc(NC(=O)[C@@](C)(O)CSc3ccc(F)cc3)ccc12,CHEMBL367155
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(-c3ccccc3)cc2)C1=O,CHEMBL3588890
+O=C1CC2(CCN(C(=O)[C@@H]3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)CC2)CN1,bindingdb_652424
+CC(C)(O)CC(=O)NCC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4218626
+CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3ccc(/C(C)=C/COc4ccc(C[C@H](OCC)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O,CHEMBL144112
+Oc1ccc2c(c1)SCCC(c1cccc(F)c1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403086
+Cc1ccc(Cl)c(Cn2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c1F,bindingdb_651146
+CC#C[C@@]1(O)CC[C@@]2(CCO)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL456215
+Oc1ccc2c(c1)CCCC(c1ccc(SC(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404072
+O=C1COc2ccc(N3CCOC[C@H]3c3ccccc3)nc2N1,CHEMBL4079083
+CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)c(F)c1,bindingdb_206249
+O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2,CHEMBL1412483
+O=C(O)COc1cccc2c1CCN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c1)C2,bindingdb_745834
+O=C(O)c1ccc(-c2nn(C(=O)c3cccnc3)c3ccccc23)c(F)c1,bindingdb_55083
+Cc1ccccc1N1CCN(C(=O)/C=C\c2ccccc2)CC1,bindingdb_475732
+CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])s1)S(=O)(=O)c1cccc2ccccc12,CHEMBL2059549
+CCOC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C2CC2)nc1C(F)(F)F,bindingdb_1130821
+CNC(=O)/C=C/c1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1,bindingdb_401978
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C(O)C2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361054
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccnc(OCCNCCCF)c2Cl)N1CC(F)(F)CO,bindingdb_401465
+Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3798394
+CNS(=O)(=O)N1CCC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CC1,bindingdb_1127609
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCCC1c1c[nH]c2ccccc12,bindingdb_646313
+COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC,bindingdb_45521
+CCCc1cc(-c2nc(C(C)(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220117
+N#Cc1ccc(N2C(=O)CC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl,bindingdb_506259
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(C2CCCCC2)cc1,CHEMBL1164338
+CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1,bindingdb_539970
+Oc1ccc2c(c1)CCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402989
+CN(C)c1ccc(/C=C(\C#N)c2ccccc2)cc1,CHEMBL1998001
+COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O,bindingdb_658458
+NC(=O)Nc1cc(-c2nc[nH]c2-c2ccc(F)cc2)ccn1,CHEMBL3643694
+CC(=O)Nc1cc(-n2ccnn2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219817
+O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCCC1,CHEMBL3763399
+CC1CCCc2c1c(C1=CCC(C(=O)O)CC1)nn2C(=O)c1c(Cl)cccc1C1CC1,bindingdb_653782
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@](C)(O)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645165
+Cc1cc(C)nc(NC(=O)CSc2nn(C)c(=S)s2)n1,CHEMBL1348377
+CCOC(=O)Cc1cc(O)n2nc(-c3ccc(C)cc3)cc2n1,CHEMBL1491936
+COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081786
+O=C(CCSCc1ccccc1Cl)NCc1cccs1,bindingdb_112263
+CCCCCS(=O)(=O)NC(=O)CCc1cc(C2CC2)nn1Cc1ccc(C(F)(F)F)cc1Cl,CHEMBL1933835
+C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12,DB01889
+Oc1ccc(-c2coc3cc(O)cc(O)c3c2=S)cc1,CHEMBL202996
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1F)Oc1ccccc1-3,CHEMBL428125
+COc1ccc(-c2nc(SCc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081951
+COC1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C,bindingdb_113791
+COC(=O)c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC,bindingdb_356196
+O=c1[nH]c2ccccc2c(=O)n1Cc1ccco1,CHEMBL1350944
+CCS(=O)(=O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646318
+CCCc1cc(-c2nc(C(F)(F)F)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL374090
+CCOC(=O)Cn1c(-c2nonc2NC(=O)c2ccccc2F)nc2ccccc21,bindingdb_961300
+O=C(O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S,CHEMBL1093405
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(CO[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270499
+Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccccc4)CC3)ncnc12,bindingdb_69056
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1,CHEMBL3581641
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC(NCc2ccccc2)C1,bindingdb_652514
+C=CCOC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL196106
+CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(OC)c2)n1,bindingdb_988794
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401430
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)C)cc3)C[C@@]21C,CHEMBL4172624
+O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1,bindingdb_584090
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(C#N)cc1Br)c1cnc(C2CC2)nc1,CHEMBL4213734
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(OC(=O)N(C)C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL317578
+CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O,CHEMBL1386870
+FC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12,bindingdb_757607
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cc(S(N)(=O)=O)ccn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654385
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NS(=O)(=O)C(C)C)cc1,CHEMBL254946
+C=CCS(=O)CC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,bindingdb_19983
+CCCCCN(C(=O)NC1Cc2ccc(SC(C)(C)C(=O)O)cc2C1)c1ccc(OC(F)(F)F)cc1,CHEMBL398701
+CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3673706
+Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(Br)cc3)sc2c1,CHEMBL389683
+O=C(O)c1ccc(-c2noc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)nc1,bindingdb_1018197
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC,bindingdb_1183742
+C=CCC(O)C1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3CC21C,CHEMBL566391
+Cc1cc(OCc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1080369
+COc1cccc(C2SC(c3ccc(C)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC,CHEMBL242622
+O=C(O)c1ccc2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1018922
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(=O)C1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL243657
+COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)C3c3cccnc3)oc12,bindingdb_87302
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(F)cc2)C1=O,CHEMBL2407682
+COC(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL222121
+Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(N2CCN3CCCC[C@H]3C2)cc1,1xqc
+CC1(C)CCSc2ccc(C#Cc3ccc(C(=O)O)cn3)cc21,CHEMBL1201375
+CCCCCCc1ccc(C(=O)CCN(C)Cc2ccco2)cc1,CHEMBL236134
+COc1ccc(Cl)cc1NC(=O)c1ocnc1C,CHEMBL1359893
+CCC(Oc1ccc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1C)C(=O)O,CHEMBL1630385
+O=C(O)c1cccc2c1CN(C(=O)C13CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC1)CC3)CC2,bindingdb_1017693
+COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(C)=O,bindingdb_356285
+Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(=O)O,CHEMBL393940
+COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605927
+CC1=C(C(=O)Nc2ccc(CC(=O)NCc3ccc(OC(C)C)cc3)cc2)SCCO1,bindingdb_69304
+CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760424
+Oc1ccc2c(c1)SCC(c1ccc(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401563
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N(C)CCCO)c(C(F)(F)F)n1,bindingdb_1130987
+O=C(NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CHEMBL4217797
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(O)C2)C3)CC1,bindingdb_646545
+Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1,bindingdb_672381
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ncc1C(N)=O,bindingdb_125952
+CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)O)cc2)cc1,CHEMBL4240392
+CC(O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1947179
+CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2cccc(C(=O)O)c2)cc1,CHEMBL3335666
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C(C)C(=O)O)CC3)c1Cl)n2C,bindingdb_206510
+Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O,CHEMBL4243662
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1,bindingdb_650258
+OC1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)c(Cl)c21,CHEMBL3682520
+CC1=C(c2cccc(F)c2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4165638
+O=C(CN1c2ccccc2Sc2ccccc21)NNC(=S)NCc1ccccc1,CHEMBL3960906
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(N4CCCCC4)nc3)nc2Oc2c(F)cccc21,bindingdb_1054355
+CC1CCN(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)C1,bindingdb_648738
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCCS(C)(=O)=O,bindingdb_55039
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CSc1ccccc1)O2,bindingdb_647319
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220836
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)/C(=C/c5cc(F)cc(F)c5)C[C@H]4[C@@H]3CC[C@@H]12,CHEMBL556431
+O=C(O)Cc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c(C(F)(F)F)c1,bindingdb_1017881
+CCO[C@@H](Cc1cccc(C2=NOC(Cc3ccccc3)C2)c1)C(=O)O,CHEMBL484063
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2ncccn2)c(Cl)c1,bindingdb_475801
+CCCCc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CHEMBL3623103
+COC(=O)C1Cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2OC1=O,CHEMBL475988
+CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12)C(=O)O,CHEMBL484330
+CCCc1c(OCCCOc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12,CHEMBL210768
+Oc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL357283
+O=c1c2c(O)cc(O)cc2[nH]c(=S)n1-c1ccc(O)cc1,CHEMBL206349
+COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(=O)onc(C)c2c1)C(F)(F)F,CHEMBL1257221
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)OC(C)(C)C3)nc1,bindingdb_1111707
+Cn1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(F)(F)C3)c2)nc1C1CC1,bindingdb_1018245
+OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL465800
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,bindingdb_598224
+CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,bindingdb_760497
+Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1-c1nc2ncccc2o1,CHEMBL1410870
+c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)nc1,bindingdb_760315
+CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)c1,CHEMBL3360960
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F,CHEMBL1911652
+O=C(O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,bindingdb_481689
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cn1,CHEMBL4079134
+CCCC/C(=C\c1cc(OC/C=C/c2ccccc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397711
+Cc1ccc2[nH]c3c(c2c1)C[C@@H](C)N(CC(F)(F)CO)[C@@H]3c1c(F)cnc(OCCNCCCF)c1F,bindingdb_401419
+O=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1ccc(Br)cc1,CHEMBL3623099
+COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1,CHEMBL4101773
+COc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1,bindingdb_1735
+CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](Sc4ccc(Br)cc4)C(=O)c4cc(O)ccc4[C@H]3CC[C@]12C,CHEMBL1627355
+Oc1ccc(/C(=N\c2cccc(C(F)(F)F)c2)c2ccc(O)cc2O)cc1,CHEMBL3234633
+Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL454651
+COCCNc1nc(-c2cc3ccccc3o2)cs1,bindingdb_1000172
+C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2,CHEMBL108402
+O=C(O)c1ccc(-c2nn(Cc3c(F)ccc(F)c3F)c3cccnc23)c(F)c1,bindingdb_54974
+CCCc1nc2cc(-c3cccc(O)c3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4066489
+CC(C)C/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL4073790
+Cc1cccc(S(=O)(=O)C23CCN(C(=O)C45CCC(C(=O)O)(CC4)CC5)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)c1,bindingdb_653552
+Cc1ccccc1-c1nc(COc2ccc(CC(OC(C)C)C(=O)O)cc2)no1,CHEMBL433306
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CCN(CC(F)(F)F)C3)[C@H](c3ccccc3)C2)c1,bindingdb_1000077
+COc1ccc(O[C@@H](C)CNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_401154
+CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL430970
+CN(C)[C@H]1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C[C@@H]1O,bindingdb_650793
+Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(=O)O,CHEMBL237277
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1270253
+O=C(O)c1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_672503
+Cc1ccc(OC(C)(Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2)C(=O)O)cc1,CHEMBL363018
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)o3)[C@@H](c3ccccc3)C2)c1,bindingdb_107879
+Cc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1,CHEMBL425945
+CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3c(C)nc4c(Cl)cccc43)c2)c1,CHEMBL595249
+CNS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(CCS(=O)(=O)CC4)C3)nc2CC2CCCCC2)c2ccccc12,bindingdb_649030
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)nc1C1(CC1)C2,bindingdb_1018450
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Oc2ccccc2)C(=O)O)cc1,CHEMBL81208
+CCOC(=O)CC[C@H]1CN(S(=O)(=O)c2cn(CC)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_651633
+Fc1ccc(C(F)(F)F)c(COc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)c1,CHEMBL552310
+ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,CHEMBL194400
+CCC(C)(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1,bindingdb_1183392
+CCCC1(CC(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21,CHEMBL213453
+CCOC(Cc1ccc(OCCCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)O,CHEMBL523944
+CCC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_648046
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCC2,bindingdb_652947
+O=C(Oc1cccc(O)c1)c1cccc(F)c1,CHEMBL2071177
+COc1nc2c(C)cc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(F)(F)F,bindingdb_650007
+O=C1NC(=O)/C(=C/c2ccc(OCCc3cccs3)cc2)S1,6dgr
+Cn1nccc1C(=O)NCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,bindingdb_476016
+O=C(O)C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,CHEMBL471191
+Cc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,CHEMBL1089900
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2-c2cccc(F)c2)c(Cl)c1Cl)C(F)(F)F,CHEMBL4125869
+Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(O)ccc34)nc2n1,CHEMBL1511067
+C=CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C,CHEMBL3613424
+O=C(Cc1cccnc1)N[C@@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648742
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3C)c(F)c2)CC1,bindingdb_654958
+CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C,CHEMBL486808
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_400957
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CN2CCCC(F)(F)C2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645378
+COc1ccccc1-c1ccc2c(c1)C(CSC(C)=O)=CC(C)(C)N2,CHEMBL204112
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)cc2C(=O)O)cc1,CHEMBL514007
+O=C(O)/C=C/c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_68681
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CCC(=O)O,bindingdb_401110
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL2386284
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@H]1C[C@@](O)(CO)C1,bindingdb_651935
+C/C(=N\OCC1CC1)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL230706
+CN(C)C1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)CC1(F)F,bindingdb_647668
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1182911
+N#CC1=C(N)OC2=C(CCC/C2=C/c2ccoc2)C1c1ccoc1,CHEMBL1584646
+CC(C)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL250044
+CCn1cc(Br)c(C(=O)Nc2ccccc2C(=O)OC)n1,bindingdb_1706
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(C(F)(F)F)c1,CHEMBL558106
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3cc(C(=O)N4CCC4)ccc23)cc1,bindingdb_998384
+O=C(O)c1cc(C2CC3CC[C@H](C2)O3)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017401
+CC1(C)Cc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C(C)(C)N1,bindingdb_953921
+CC(C)(C)CNC(=O)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1,bindingdb_1018725
+Oc1ccc2c(c1)CCC(c1ccccc1)N2Cc1ccc(OCCN2CCCCC2)cc1,CHEMBL60538
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)C(=O)O,CHEMBL190645
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-n4cncn4)cc3)ccc21,CHEMBL220431
+Cc1oc(-c2cccs2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL82602
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2CC[C@@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183182
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccccc3Br)cc12,CHEMBL3695851
+CCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O,CHEMBL370285
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)nc2)nc2cnc(-c3c(C)nc(N)nc3C3CC3)nc21,bindingdb_648651
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OS(C)(=O)=O)cc2Cl)cc1)C(=O)O,CHEMBL202973
+CC(c1ccc(C(F)F)cc1)N(c1ncnc(NCC2CCN(CC(N)=O)CC2)c1F)C1CC1,bindingdb_988664
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184152
+CCOc1c(OC)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl,bindingdb_648108
+Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(N2CCN3CCCCC3C2)cc1,CHEMBL195212
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2ccccc2o1,bindingdb_1130820
+CC1CCN(C(=O)CN(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2349037
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL137956
+Cc1cc(SCc2nsc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(C)(C)C(=O)O,CHEMBL400625
+CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL260764
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3S(=O)(=O)CC2)c(F)c1,bindingdb_403115
+CCO[C@H](Cc1ccc(OCC/C=C/c2ccccc2)cc1)C(=O)O,CHEMBL2112999
+COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL3263754
+Cc1ccc(OC(C)(Cc2ccc(OCCc3nc(-c4cccc(-c5ccccc5)c4)oc3C)cc2)C(=O)O)cc1,CHEMBL189712
+CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL595248
+COc1cc(C(=O)c2cc3c(cc2C)OCO3)cc(OC)c1OC,bindingdb_69288
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(N)(=O)=O)CC2)c(C)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183455
+CN(C)c1nc(N)nc(-c2nc3ccccc3s2)n1,bindingdb_91222
+CN(C)CCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3990273
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1[C@@H]1CCNC[C@H]1O,CHEMBL4168072
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)C(C)(O)C(F)(F)F)[C@H]1C,bindingdb_645497
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)c1ncc[nH]1)O2)C(F)(F)F,bindingdb_650051
+Cc1cc(O)nc(SCC(=O)NCc2ccco2)n1,CHEMBL1576239
+CCS(=O)(=O)c1ccc(C(NC(C)=O)C(=O)Nc2cc(-c3cc(C#N)cnc3OCC(F)(F)F)cs2)cc1,CHEMBL4163193
+CN(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348886
+O=C(N[C@@H]1COC[C@H]1O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183312
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(C)c3OCC2)c(F)c1,bindingdb_402063
+COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(C)N=O)O2)C(C)=CC(C)(C)N3,bindingdb_1057267
+Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1,bindingdb_999919
+CCN(Cc1cccc(C(=O)N(CC)Cc2ccc(CCC(=O)O)cc2)c1)C(=O)c1ccccc1,CHEMBL2403501
+Cc1ncc([C@](O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)n1C,bindingdb_654444
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_270746
+COc1ccc(-c2cnc3c(NC=O)cc(-c4ccccc4OC)cn23)cc1OC,bindingdb_69254
+CNC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL4080411
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C(C)(C)C)nccc2c1,bindingdb_1018325
+Cc1cc(SC(Cc2c(Cl)cccc2Cl)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O,CHEMBL4239431
+CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,bindingdb_17482
+CCCCC12CCC(=O)C(CCC)=C1c1ccc(O)cc1C2,CHEMBL209402
+CC1(C)[C@H]2CC[C@]1(CN(C(=O)c1coc(CS(C)(=O)=O)n1)C1CC1)C(=N)/C2=C\C(=N)c1c(F)cccc1F,bindingdb_653126
+CNC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)nc1OC,CHEMBL3263761
+CCCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc2c1CCC2(C)C,CHEMBL204725
+COc1cc(Cn2c(C(F)(F)F)nc3cc(C(=O)NCc4ccc(S(=O)(=O)CCO)cc4)ccc32)cc(OC)c1,bindingdb_270501
+O=C(NCc1ccccc1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645238
+CC1(C)Cc2ccc(C(=O)O)cc2Oc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc21,bindingdb_1018189
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL717
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)c3ccc(O)cc3)cc2S(=O)(=O)N1,bindingdb_846254
+N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL477417
+COc1ccc(-c2nc(Sc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1080187
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)N(CC2CCOCC2)CCS3(=N)=O)cc1,bindingdb_54995
+CC(C)(C)OC(=O)n1c(-c2ccc(CN)cc2)cc2ccccc21,CHEMBL234592
+CCC12CCC(=O)C(Br)=C1c1ccc3[nH]nc(F)c3c1C2,CHEMBL211870
+COc1ccccc1C(=O)Oc1cccc2c(O)cccc12,CHEMBL2071172
+CCC(=O)N1CC[C@H](N(Cc2cc(F)ccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590100
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(I)c(F)c2)CCN(Cc2ccccc2)C1,bindingdb_648543
+Cc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)sc1C,CHEMBL393805
+CCCC/C(=C\c1cc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397717
+CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334825
+O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(CCO)CC1,CHEMBL1448598
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1,bindingdb_1182977
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H](C)C3CC3)c2=O)nc1,bindingdb_650591
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2cn[nH]c21,bindingdb_1019129
+CCOC(=O)CSc1nc(-c2ccncc2)ccc1C#N,bindingdb_999940
+NC(=O)c1c(F)cc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1F,bindingdb_648568
+Cc1ccc2c(c1)OC(c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12,bindingdb_1050181
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2)N1CC(F)F,bindingdb_401144
+O=C(O)COc1ccc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1Cl,CHEMBL222880
+Cc1cccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)c1C,bindingdb_55521
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3C3CC3)c3ccccc32)cc1O,bindingdb_645600
+O=C(N[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_653274
+CCCCCS(=O)(=O)NC(=O)C(C)(C)Cc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2027868
+CC(C)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1,bindingdb_651990
+CS(=O)(=O)N1CC[C@@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_652210
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1)C(F)(F)F,CHEMBL429627
+O=C(CSc1cccc[n+]1[O-])c1ccc(-c2ccccc2)cc1,bindingdb_55637
+O=C(N[C@H]1CCOC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645596
+COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)F,bindingdb_401514
+O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@H]2[S+]1[O-],CHEMBL2031516
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ccc2CO)N1CC(F)(F)F,bindingdb_404175
+CC(C)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402911
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1,CHEMBL3598141
+Fc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1F,bindingdb_646519
+O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)o1,bindingdb_953893
+C/C(=C\c1ccc(C(=O)O)s1)c1ccc2c(c1)C(C)(C)CCC2(C)C,CHEMBL93538
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC[C@@H](n3cnnc3)[C@H](F)C2)cc1F,bindingdb_651548
+C[C@@H](CCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@@]21C,CHEMBL378965
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)C3CCN(C(=O)NCc4ccccc4)CC3)cc12,CHEMBL3699349
+O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,bindingdb_999736
+S=C1N(CCCC[C@H]2CNC(CCC3CCCC3)=N2)C[C@H](Cc2ccccc2)N1CCc1ccccc1,CHEMBL4067306
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)C3CN(C(C)=O)C3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653162
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccc(F)cc3)ccc12,CHEMBL450774
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2COC[C@@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183091
+CN(C)C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1,bindingdb_982726
+C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCC(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL235003
+Cc1cc(SCc2nc(-c3ccc(Cl)cc3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL244575
+CCCC(CC(=O)O)C1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)C(C)CC)(C1=O)C3=O,CHEMBL524715
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc5ncccc45)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017984
+CC(NS(=O)(=O)c1cnn(C)c1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650924
+CC(C)n1c(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21,CHEMBL2011367
+Nc1nc(-c2cccc(-c3ccccc3)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4228755
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Cl)cc1-3,CHEMBL65743
+O=C(N(C1CC1)C1CCS(=O)(=O)C1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651448
+CC(C)[C@H]1c2ncc(C(=O)NCC(c3ccc(C(F)(F)F)cc3)N3CCOCC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123931
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(Cl)cc2)cc1,CHEMBL1079646
+Cc1cc2c(CC(=O)O)csc2cc1OCc1cc(-c2ccc(Cl)cc2)on1,CHEMBL234170
+O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,bindingdb_481690
+CCOc1ccccc1C=c1sc2nc(-c3ccco3)nn2c1=O,bindingdb_17451
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCF)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652779
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccoc1,CHEMBL371376
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccncc3)cc12,CHEMBL3695890
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1,CHEMBL583858
+CC(C)c1ccc(NC(=O)c2cnc3c(c2)c(CO)cn3C)cc1,bindingdb_18565
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(C#Cc3ccccc3)cc(C#Cc3ccccc3)c2)cc1)C(=O)O,CHEMBL247110
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccncc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL232828
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCC(c3ccccc3)c3ccccc3)c2)c(Br)c1,CHEMBL235177
+COc1cc(O)c2c(c1C(=O)NCc1c(C)cc(Cl)c3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042806
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1,CHEMBL1455258
+N#Cc1ccc([C@H]2CCCC[C@H]2O)cc1C(F)(F)F,CHEMBL458084
+O=C(O)c1ccc(COc2ccc3c(c2)CCC3)cc1,CHEMBL1381178
+C[C@]12C[C@H](c3ccc4c(c3)OCCO4)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#CC(F)(F)F,bindingdb_168426
+O=C(Cc1ccncc1)N1C[C@@H](Cc2cccc3c2CCCC3)[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_650733
+CCCCn1c(=O)c2ccccc2c2cc(CO)ccc21,CHEMBL1088840
+N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2,CHEMBL1329411
+CC(=NNC(=O)OC(C)(C)C)c1ccc[nH]1,bindingdb_999732
+COc1ccc(CN(CCCOc2cccc(CC(=O)O)c2)CC(c2ccccc2)c2ccccc2)cc1,CHEMBL60079
+O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)[C@H]1CC[C@H](C(F)(F)F)CC1,CHEMBL4210411
+CC(C)(O)CNC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4214711
+O=C(O)c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccccc3)cc2Cl)c1,CHEMBL274652
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4161455
+Cc1nc(-c2ccccc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1,CHEMBL4210415
+COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C1(C)CCCCC1,CHEMBL345298
+O=C(CCn1c(=S)oc2ccccc21)NC1CCCCC1,bindingdb_672590
+Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CC[C@@H](CC(=O)O)[C@@H](C)C3)c1Cl)n2C,bindingdb_206722
+CCOc1nccc2c1[C@H](c1ccc(C#N)cc1OC)C(C#N)=C(C)N2,CHEMBL4068008
+COc1cccc(-c2cc(C(=O)Nc3cc(C)on3)no2)c1,CHEMBL1499421
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCNCC2)cc1)c1ccccc1,bindingdb_375328
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1800981
+O=C(c1ccccc1Cl)c1scnc1-c1cccc(C(F)(F)F)c1,CHEMBL4284016
+COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cc(C)on1,CHEMBL1581437
+CCS(=O)(=O)c1ccc([C@H](COC(N)=O)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270485
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)nc(CN2CCC(C(F)(F)F)CC2)n3CC(C)C)cc1,bindingdb_645330
+CCn1ncc(CNC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)c1C,bindingdb_646133
+Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)O,CHEMBL241478
+O=C(c1ccc2ncccc2c1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_647196
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4cnc(N)nc4C(C)C)nc3n(C(C)C)c2=O)nc1,bindingdb_654780
+Cc1c(O)ccc2c1OC(C)(C)c1c-2ccc(O)c1C,CHEMBL204025
+Cc1cc(SC(Cc2cccc3ccccc23)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035065
+CC(C)(C)C1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1,bindingdb_112167
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ccc(C(F)(F)F)cn1,CHEMBL2027855
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12,CHEMBL3605921
+Cc1cccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1,CHEMBL3264630
+O=C(O)C12CCC(C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)(CC1)CC2,CHEMBL3964587
+Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL124145
+CCCCn1c(=O)c2ccc(O)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3260002
+Oc1ccc2c(c1)CCCC(c1cccc3ncccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403847
+CCn1c(CC(C)C(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1,CHEMBL3774818
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCc3ccncc3)c(S(C)(=N)=O)c2)cc1,bindingdb_206323
+O=C1COC(c2cccs2)(c2cccs2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1,CHEMBL519883
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccnc4ccccc34)cc12,CHEMBL3695902
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCNC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263874
+O=C1C=C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2(Cc2ccccc2)CC1,CHEMBL392667
+COCCOc1c(OC)nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_54987
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL4079308
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_654798
+C[C@@H](NCC(F)(F)F)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_650858
+CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL411
+O=C(NCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1334452
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2C(F)F)N1C[C@H](C)C(=O)O,bindingdb_402296
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,CHEMBL166444
+COc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(C)cc4C(=O)O)c3)c2c1,bindingdb_745824
+COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3F)c3ncccc23)cc1,CHEMBL455127
+Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1,bindingdb_999995
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC3(C)CC3)ccc2O1,bindingdb_646671
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccccc2)cc1,CHEMBL3765347
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](c1n[nH]c(=O)o1)O2,bindingdb_647227
+CS(=O)(=O)c1cccc(N2CCN(CC3CCOCC3)[C@@H](c3ccccc3)C2)c1,bindingdb_107865
+CCCCCCc1ccc(C(=O)CCN2CCCC2)cc1,bindingdb_481729
+CN(CCO)c1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1,CHEMBL4090273
+N#Cc1c(SCC(=O)Nc2nccs2)nc2c(c1-c1ccco1)CCCC2,CHEMBL1505994
+Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1cc(O[C@@H](C)C(=O)O)ccc1Cl,CHEMBL461378
+CS(=O)(=O)Nc1ccccc1S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1,CHEMBL247236
+CC(=O)N1CCN(C(=O)N2CC[C@@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL4114454
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(Br)cc2)c1)C(=O)O,CHEMBL490425
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CC2)cn1,CHEMBL219005
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(O[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183854
+CN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn2)CC1,bindingdb_55659
+Cc1ccc(COc2cccc(OCCCOc3ccc4c(CC(=O)O)cn(Cc5ccccc5)c4c3)c2)cc1,CHEMBL3597411
+Cc1cc(SC(Cc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037577
+Cn1cc(-c2cccc(OC(F)(F)F)c2-c2ccc(NC(=O)NCc3ccc(CC(=O)O)cc3)cc2)cn1,bindingdb_650893
+CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)OC,CHEMBL198166
+C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)NCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C,CHEMBL553441
+CCCc1cc(O)ccc1-c1noc2cc(O)ccc12,CHEMBL435090
+CN(C)CCCN(C(=O)c1ccc(-n2c(O)ccc2O)cc1)c1nc2c(F)cccc2s1,bindingdb_112258
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC)cc2)cc1,CHEMBL1080363
+CC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3263710
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL2032445
+CCN(C[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ncnc(NC[C@@]2(O)CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_653192
+C[C@]1(c2ccccc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_653502
+COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL385106
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1,bindingdb_998391
+CC(C)(C)OC(=O)n1c(-c2ccc(CNC(=O)c3ccccc3)cc2)cc2ccccc21,CHEMBL233428
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(=O)N2CCC2)Oc2ccc(NC(=O)OCC(C)(C)C)cc21,bindingdb_649796
+CC[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12,CHEMBL3084687
+CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O,CHEMBL2263555
+COc1ccc2c(-n3c(=O)n(Cc4cccc([C@@]5(C)OC(=O)NC5=O)c4)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1947140
+COc1cc(OCCNCCCF)cnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F,bindingdb_404109
+CC(=O)N1Cc2cc(S(=O)(=O)CC3(C#N)CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652397
+CCCCCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_830883
+Cc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21,CHEMBL399832
+Cc1cc(SC(Cc2c(F)c(F)c(F)c(F)c2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035063
+COc1cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)ccc1N(C)C,CHEMBL4169408
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cncc(C)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654373
+Cc1ccccc1CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1,CHEMBL601500
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4Cl)no3)nc12,bindingdb_965490
+O=C(O)Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL211473
+Cc1cccc(C)c1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1,CHEMBL3589366
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(F)c3CCC2)c(F)n1,bindingdb_401491
+COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2oc1=O,CHEMBL458867
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087288
+Cc1cccc([C@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1,CHEMBL257387
+COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,CHEMBL1095097
+CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Nc1ccccc1,bindingdb_645037
+O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2nsnc2c1,CHEMBL4088168
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(Cc4ccc(F)cc4)oc3C)ccc21,CHEMBL198288
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL343410
+O=C(O)c1ccc(-n2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc32)cn1,bindingdb_650534
+C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238288
+COc1ccc(-c2cn(-c3ccc(O)cc3)c(=O)c3c(O)cc(O)cc23)cc1,bindingdb_1069085
+CCC12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2=O,CHEMBL379567
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1C2CCC1CC2,bindingdb_648271
+Cc1cc(OCc2nc(-c3cnc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1080365
+Cc1ccc(N=CCC(=O)c2cccs2)cc1,bindingdb_69181
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=S)Nc4ccc(Cl)cc4)cc3)C[C@@]21C,CHEMBL507916
+Cc1cc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)ncc1OC=O,bindingdb_1017516
+O=C(O)COc1ccc(SCc2cc(F)ccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2,CHEMBL232400
+C[C@@H](CN1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL181944
+O=C(O)c1ccc2c(c1)CCCC(c1cccc(F)c1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404155
+CSc1nnc(-c2ccco2)c(-c2ccco2)n1,CHEMBL1449334
+C=CCC1Oc2ccc(OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL274208
+Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(C(F)(F)F)c3)c2)ccc1OCC(=O)O,CHEMBL207887
+O=C(NS(=O)(=O)CCC1CCOC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018150
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(N4CCOCC4)ccc23)cc1,bindingdb_654828
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccc(F)cc3)C2)c1,bindingdb_1004660
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)[C@@H]1CCCO1)O2)C(F)(F)F,bindingdb_649256
+O=C(O)c1ncc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1OC1CCC1,bindingdb_1018024
+CC(C)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401190
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,CHEMBL1507788
+CN(CCOc1ccc(CC(Sc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL66767
+O=C1COC(c2ccco2)(C(F)(F)C(F)(F)F)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1,CHEMBL488559
+C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1738889
+CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,DB07423
+C=C(COc1ccccc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL469744
+C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c2ccccc12,CHEMBL3402228
+O=C(O)c1cccc(CC(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)c1,bindingdb_649726
+CN(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481350
+Cc1cc(OCc2c(-c3ccn(C)c(=O)c3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,CHEMBL466471
+C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3F)oc12,CHEMBL363963
+O=c1c2ccc(O)cc2nc(-c2ccc(O)cc2)n1-c1ccc(O)cc1,bindingdb_831130
+COC(=O)c1ccccc1NC(=O)c1noc2c1CCC2,CHEMBL1337575
+O=C(NCc1cccc(Cn2cccc2C(=O)O)c1)Nc1ccc(OC(F)(F)F)cc1,CHEMBL2180635
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653931
+CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361058
+CC(C)c1cc(Oc2c(Br)cc(NCP(=O)(O)O)cc2Br)ccc1O,CHEMBL511862
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183327
+CC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,CHEMBL3673701
+Cc1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1,CHEMBL3753786
+NC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4213493
+CNC(=O)[C@@]12[C@@H]3CC[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O,CHEMBL3921315
+Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccoc2)cc1,CHEMBL2037306
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183295
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)NCCS3)cc1,bindingdb_55026
+COc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_403026
+CCO/N=C(\C)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL388422
+COc1cccc(C2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(F)cc2F)c1OC,CHEMBL442416
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,5ufs
+CCCCN(c1cccc(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760422
+O=C(CC=Nc1ccc2c(c1)OCO2)c1ccccn1,bindingdb_45566
+Cc1cc(C)c2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1,bindingdb_55596
+O=C(O)C1CCN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_651311
+Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C,CHEMBL3233281
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(C[C@@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649658
+Oc1ccc2c(c1Cl)OCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401843
+CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1,CHEMBL3358950
+CC(CN1[C@H](c2c(Cl)ccc(OCCNCCCF)c2Cl)c2[nH]c3ccc(F)cc3c2C[C@H]1C)C(=O)O,bindingdb_401009
+C[C@H](C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_653676
+CCCCCCC1(C)NC(=S)N(c2ccccc2)N1,bindingdb_672349
+CC(C)CN(Cc1ccc(N2CCCC(O)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_653908
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccn3)c2)c(Cl)c1,bindingdb_481616
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cc(O)cc3F)cc12,bindingdb_652620
+C[C@]1(C(=O)NCC2(c3ccccc3)CCCCC2)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL372612
+CCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933821
+CCc1cnc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017962
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)NCC4CC4)cnc23)c(F)c1,bindingdb_654305
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)Cc1cccc(F)c1,bindingdb_654027
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@]2(O)CCN(C(C(N)=O)c3ccncc3)C[C@H]2O)c1F,bindingdb_988852
+COC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL4169685
+O=C(CCc1ccccc1)Nc1nnc(-c2cccs2)o1,CHEMBL1444693
+Oc1ccc2c(c1)SCCC(c1ccc(F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401007
+CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270702
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB07557
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(F)F)N1C[C@H](C)C(=O)O,bindingdb_400870
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646594
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3cccc(OC(F)(F)F)c3)s2)ccc1OCC(=O)O,CHEMBL1080822
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081601
+Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCC(=O)O,CHEMBL208203
+Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4081807
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC2CCOCC2)cc1,bindingdb_647972
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB00591
+Cc1cc(O)ccc1-c1c(C)c2ccc(O)cc2oc1=O,CHEMBL4082196
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(Cl)cc(Cl)c2)c1)C12CC(F)(C1)C2,bindingdb_1018444
+CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348873
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1,CHEMBL2385913
+Cc1cccc(C)c1COC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1,bindingdb_1003739
+CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1,CHEMBL3695809
+CC1Cc2ccccc2N1C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348923
+COc1cc(CC(C)(C)C(F)(F)F)ccc1-n1cc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nc1C,bindingdb_1183768
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)cc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl,CHEMBL3640891
+O=C1NC(=O)C(c2ccc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)N1,bindingdb_654007
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@H]2CCC[C@H]2F)C3)CC1,bindingdb_646321
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1182833
+C[C@@H](c1ccc([C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)O2)cc1)c1cccc(N)c1,bindingdb_25298
+CN(C)c1ccc(N=CCC(=O)c2ccccc2)cc1,bindingdb_584360
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL4098415
+C=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)C(C)C,CHEMBL395535
+CCCC(=O)Oc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3775006
+CC(F)(F)C(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)CC(C(=O)C(F)(F)F)O2,bindingdb_647144
+CC1(C)OC(=S)Nc2ccc(S(=O)(=O)N3c4ccccc4COc4cc(F)ccc43)cc21,CHEMBL3775473
+Cc1c(O)ccc2c1c(=O)oc1cc(O)cc(C)c12,CHEMBL206120
+CCc1cccc(S(=O)(=O)C2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)c1,bindingdb_653571
+Cc1cc(NC(=O)C(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2,CHEMBL2035881
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652766
+O=C(NC1CCC1)c1ccc(C#CC2CC2)cn1,bindingdb_999545
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(OC)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263829
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)cc12,bindingdb_417398
+Cc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1,CHEMBL3589353
+CC(=O)N[C@@H](C)c1nc(-c2ccc(OCCc3ccc(OS(C)(=O)=O)cc3)cc2)no1,CHEMBL4104138
+CCN(CC)c1nc2ccc(C(O)(c3cncs3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1,bindingdb_1184107
+Cc1cc(C)nc(/N=C(\N)Nc2cccc(N)c2)n1,CHEMBL1390251
+COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc23)cc1,CHEMBL489651
+COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)nc(-c3ccc(OC)cc3)n2)cc1,CHEMBL207318
+COC(=O)c1ccccc1S(=O)(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1,bindingdb_999630
+CC(C)Oc1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(=O)O)c1,bindingdb_1017631
+Cc1cc(=O)oc2c(CN3CCC(C)CC3)c(O)c(Cl)cc12,CHEMBL1501269
+CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL1230353
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Br,CHEMBL398226
+O=C(O)CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)SC1=S,bindingdb_598547
+COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2C)c1,bindingdb_760251
+COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F,CHEMBL1257454
+O=S(=O)(c1ccc(F)cc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094369
+O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12,CHEMBL484662
+CNc1nc(-c2ccc3ccccc3c2)cs1,CHEMBL3323467
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(Cl)cc3)c1)CCC2,CHEMBL2312272
+CC(C)n1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3259995
+C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1,bindingdb_69143
+CNC(=O)Nc1ccc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654826
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2ccc3ccccc3c2)c1,CHEMBL394967
+CCNC(S)=Nc1nc2c(cc1C(=O)OCC)CCCC2,CHEMBL1446248
+CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N,bindingdb_1026149
+CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccco1,CHEMBL1545617
+O=C(O)Cc1cccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1,CHEMBL387203
+CS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018512
+Cc1ccc(C(=O)c2nc3ccccc3n2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)cc1,CHEMBL1760558
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCCC2)cc1C1CC1,bindingdb_1183236
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1cn[nH]c1)O2,bindingdb_651915
+COc1ccc(-c2nc(Sc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081044
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL375918
+Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,CHEMBL187105
+COc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3ccc(C)o3)sc2c1,bindingdb_598295
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4cnc(C(F)(F)F)nc4C)CC2)O[C@@H](C)C3)nc1,bindingdb_1111704
+COc1cc(O)c(C(CC(=O)N2CCCCC2C)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2326700
+CC(O)(c1cccnc1)c1nc(-c2cccc(C#N)c2)cs1,bindingdb_1678
+CCC[C@@H](OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O,CHEMBL360420
+CCOc1ccc(OCc2cccc(C(=O)N3CCOCC3)c2)cc1,bindingdb_45533
+COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1,DB07724
+N#CCNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647369
+C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)NS(=O)(=O)C2CCOCC2)cn1,bindingdb_1017737
+Cc1cc(OCc2nc(-c3ccc4c(c3)OCCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075703
+O=c1c2ccc(O)cc2ncn1-c1ccc(O)cc1,CHEMBL203370
+Cc1cc(Oc2ccc3nc(COc4ccccc4C(=O)O)n(C)c3c2)cc(C)c1N,CHEMBL4302059
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1,CHEMBL180123
+O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)C1=CSCCO1,bindingdb_69157
+CN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,bindingdb_168578
+CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1CCO,bindingdb_112140
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCCC1,CHEMBL1301906
+CCC(C)c1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O,CHEMBL448595
+CCN1CCC(CCn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_417385
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,bindingdb_1130872
+Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1ccc(F)c(O[C@@H](C)C(=O)O)c1,CHEMBL461379
+Cc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)cc1,CHEMBL3261415
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(S(C)(=O)=O)c2)C1=O,CHEMBL2407676
+Cc1cc(C(=O)N(CCF)C[C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)no1,bindingdb_648269
+CCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3259996
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@H](O)C[C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)CC[C@@H]23)C[C@H]1O,3vtc
+C=CCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8140
+COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCC(=O)N(C(C)=O)C(=O)c3ccccc3)cc2)cc1,CHEMBL257761
+Cc1nc(SCC(=O)[C@@]2(OC(=O)c3ccco3)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)sc1C,CHEMBL1917413
+CN(C)c1ccc(C2c3nnnn3CCN2Cc2ccc3c(c2)OCO3)cc1,bindingdb_653912
+CC(C)[C@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1C[C@H]1CC[C@@H](C(F)(F)F)CC1,bindingdb_1143354
+CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21,CHEMBL200571
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@@H]([C@H](N)C(F)(F)F)O2)C(F)(F)F,bindingdb_651524
+CCOC(=O)c1s/c(=N\C(=O)c2ccc(Cl)s2)n(C)c1C,bindingdb_999553
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)[C@H](C)C(F)(F)F)[C@@H](C)C1)cn2C,bindingdb_646154
+Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCC(=O)O,CHEMBL207811
+CC(C)c1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL603636
+Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484728
+COC(=O)c1ccc(COc2ccc(C=NNC(N)=S)cc2)o1,bindingdb_292574
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(Cl)n3)cc21,CHEMBL4170351
+CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(Cc3ccc(-c4ccccc4)cc3)c2)cc1,CHEMBL3109154
+CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl,CHEMBL1933822
+Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC1(C(=O)O)CCCC1,CHEMBL242007
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)OC(C)(C)C)cc1F,bindingdb_650777
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(Oc3ccccc3OC)s2)cc1,CHEMBL3605083
+CS(=O)(=O)NC(=O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1017805
+CC1CC(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)=CC(O)C1C(=O)O,bindingdb_646202
+CS(=O)(=O)Oc1ccc(CC(=O)OCCCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_988878
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)ccc(Cl)c3F)c3cccnc23)c(F)c1,bindingdb_651677
+O=C(Nc1cccc(Cl)c1)c1ccc(=O)[nH]n1,bindingdb_91241
+Cc1ccc(-c2nc(N=NCc3ccncc3)c3ccccc3n2)cc1,bindingdb_999705
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(N2CCC(O)(C(=O)O)CC2)c2c(F)cccc21,bindingdb_648390
+CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,DB00682
+CCCO/N=C(\C)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL231523
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)CC(C(=O)O)C3)cc1,CHEMBL1835051
+COc1ccc2c(c1OC)C(=O)N1c3ccccc3SC21,bindingdb_982730
+C=Cc1cc(O)cc2nc(-c3cc(F)c(O)cc3F)oc12,CHEMBL188613
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](c2n[nH]c(=O)o2)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_648097
+CC(C)c1ccc(NC(=O)c2cnc3c(ncn3Cc3ccccc3)c2Cl)cc1,bindingdb_18602
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)ccc1OC(F)(F)F,bindingdb_403420
+Cc1cc(C(=O)O)ccc1-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12,bindingdb_998383
+COc1ccc2c(c1)OC(c1ccccc1)c1c-2ccc2c1C(C)=CC(C)(C)N2,CHEMBL99128
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(CCc2ccccc2)cc1,CHEMBL576137
+CC(C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ccccc21)c1ccccc1,bindingdb_651884
+Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1,CHEMBL1443554
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(CC)(CO)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263635
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCC4)cc3Cl)cc2O1,CHEMBL367891
+Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4241411
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1,CHEMBL232832
+CC(=O)Nc1nc2c(s1)CC(c1ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc1)(S(=O)(=O)c1ccc(F)cc1)CC2,bindingdb_651932
+CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)N(C)CCC3(C)C)cc1,CHEMBL331642
+CCCC(=O)Nc1cccc2c1CCCC2,CHEMBL394913
+Oc1ccc2c(c1)CCCC(c1cc(F)c(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402825
+Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934483
+C[C@@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1O,CHEMBL4074501
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1[N+](=O)[O-],CHEMBL2349052
+Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL125728
+CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)OC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(OC(C)=O)ccc5CC[C@@H]34)[C@@H]1CC2,CHEMBL506838
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F,bindingdb_1183186
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(C[C@@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654000
+CCCCCCC1=C(c2ccccc2)[C@]2(OCC)CCC[C@@H]2C1,CHEMBL1765926
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCC(F)(F)F)nn3)C2)cc1C(F)(F)F,bindingdb_475899
+O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1,CHEMBL1956349
+C=C(CCCC)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765942
+COc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1,bindingdb_953745
+COc1ccc(/C=C/c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC,CHEMBL572706
+CCCc1cc(-c2nc(CC(=O)O)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,bindingdb_989008
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC(F)(F)F,bindingdb_1184025
+CC(C)c1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1,bindingdb_999832
+CCC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1,bindingdb_1183243
+COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1,bindingdb_539795
+CC#C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL201809
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ncc(F)cc1F)c1ccccc1,CHEMBL1821837
+Cc1cc(Br)c2c(c1)c(=O)oc1c(C)c(O)ccc12,CHEMBL204056
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_651960
+CCc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C#N)c2)C3)c1,CHEMBL4074627
+CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL17506
+CC1(O)CCN(C(=O)[C@H]2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649745
+Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21,CHEMBL479738
+Cc1ccc(-c2nc(-c3ccccn3)no2)cc1,bindingdb_584078
+O=C(O)c1ccc([N+](=O)[O-])c2c1NC(c1ccc(Cl)cc1)C1CC=CC21,bindingdb_961297
+O=C(Nc1ccccc1C(=O)O)c1ccccc1,CHEMBL198666
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccccc3)c2)cc1,CHEMBL3109228
+Oc1ccc2c(c1)SCCC(c1ccc(OC(F)(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402465
+CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCCC(C)(C(=O)OC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(OC(C)=O)ccc5CC[C@@H]34)[C@@H]1CC2,CHEMBL191965
+CCCCC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2,CHEMBL212185
+Cc1ccc(C(O)(c2ccc3nc(Cl)c(CC(F)(F)F)c(N4CCC4)c3c2)c2cnnn2C)c(C)n1,bindingdb_54954
+Cn1cc(C(=O)O)c2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc21,bindingdb_1018139
+Cc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1,bindingdb_1000285
+COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,CHEMBL61
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccc(OCCCN3CCCCC3)cc12,CHEMBL442249
+CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1,bindingdb_68989
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cnc3ccccc3c2)cc1,CHEMBL1079617
+Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657136
+Cc1ccc(C)c2sc(-c3nc(-c4ccc(C(=O)O)cc4Cl)no3)cc12,bindingdb_965488
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3=CCC(O)CC3)c(C(F)(F)F)c2)cc1,bindingdb_650028
+CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCOC)c(O)c2c1,CHEMBL1448272
+C[C@H](NC(=O)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183288
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,bindingdb_45569
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C4CCC4)CCCc4ccccc43)C(F)(F)F)cc12,CHEMBL210185
+CCCCCCc1ccc(C(=O)CCN(C(C)C)C(C)C)cc1,CHEMBL236131
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271044
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3CC3)c2=O)cc1,bindingdb_645671
+CC1CC1C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648112
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12,CHEMBL3695886
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)C(N)=O)nc2CC2CCCCC2)c2ccccc12,bindingdb_648152
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2cccc(OC)c2)C1=O,CHEMBL3590273
+C=CC(=O)Oc1ccc(CCCC)cc1,bindingdb_481581
+O=C(O)c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1,bindingdb_672623
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184126
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(C#N)c23)C(F)(F)F)c(C)c1,CHEMBL3093449
+CC(C)(C)OC(=O)N1CC(c2cn([C@H]3CC[C@@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)C1,bindingdb_651700
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CHEMBL1090861
+Oc1ccc(Oc2c(Br)cc(CC(O)O)cc2Br)cc1[C@@H](O)NCCc1ccccc1,1r6g
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Br)c2)ccc1OC(C)(C)C(=O)O,CHEMBL236877
+Fc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1F,bindingdb_653293
+Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O,bindingdb_404140
+COc1ccc2c(c1)OC(c1ccccc1O)CC2=O,CHEMBL1977891
+O=C1c2ccccc2C(=O)N1c1ccc(/C=C/c2ccccc2)cc1,CHEMBL573382
+O=C(O)CCNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,CHEMBL198875
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(CO)cc1,CHEMBL370054
+O=C(O)c1ccc(N2C(=O)/C(=C/c3c(F)cccc3F)c3c(F)cccc32)cc1,bindingdb_650016
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCOCC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827876
+CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1,bindingdb_112115
+CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270884
+CC(C)(Oc1ccc(CO)cc1)C(=O)O,CHEMBL2203301
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,CHEMBL550752
+C=CCC1Oc2c(Br)cc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7781
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645739
+O/N=C/c1cn(-c2ccc(O)cc2)c2ccccc12,CHEMBL232022
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(F)(F)F)c(C(C)(C)O)n1,bindingdb_1130772
+CCCC/C(=C\c1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O,CHEMBL1819391
+COCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3695828
+C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074232
+NS(=O)(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_648335
+Cc1n[nH]c(C)c1CC(=O)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652984
+Cc1nn(CC(=O)OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-],bindingdb_672614
+CCCCC12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,CHEMBL209851
+Cn1c(-c2ccc(-c3ccccc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,CHEMBL494638
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3915997
+CCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O,CHEMBL3765141
+CCCC[C@@]12CCC(=O)C(CC)=C1c1ccc3[nH]nnc3c1C2,CHEMBL441366
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCCCP(=O)(O)O,bindingdb_417267
+OC(c1ccncc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1,CHEMBL3325742
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)O)c2)c(C(F)(F)F)n1,CHEMBL1209111
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC3CS(=O)(=O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4126991
+CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2,CHEMBL2070237
+CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,bindingdb_27830
+O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCCCC1,bindingdb_672450
+COc1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(O)(C5)C3)C4)cc2)cc1OC,bindingdb_69127
+COc1cc(/C=C/C(=O)c2ccc3c(c2)sc(=O)n3CCOc2ccc(CC(OCC(F)(F)F)C(=O)O)cc2)cc(OC)c1,CHEMBL4160661
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1Br,CHEMBL1090557
+C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@]2(O)C#Cc1cccc(C(=O)[O-])c1,bindingdb_1050114
+O=C(O)COc1ccc(SCc2ccc(OCc3ccccc3)cc2)c2c1CCC2,CHEMBL234663
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183203
+COC(=O)c1ccc(-c2noc(C34CCC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1017478
+COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)N(C)C,CHEMBL3263765
+O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21,CHEMBL1254750
+CC(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@H]1c1ccccc1,bindingdb_125980
+Oc1ccc(C2=Cc3cc(O)ccc3C23Cc2ccc(OCCN4CCCCC4)cc2C3)cc1,CHEMBL267385
+N#Cc1ccc(NC(=O)CCn2cc(F)cn2)cc1C(F)(F)F,bindingdb_475719
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cnc2ccccc2c1,CHEMBL3973775
+CCS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649299
+CCc1nc2c(C)c(C)c(C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL1801736
+CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc21,CHEMBL145576
+CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O,CHEMBL21241
+CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(C)c1,CHEMBL549561
+CCCCCOc1cc2ccccc2cc1C(O)C/C=C\CCCC(=O)O,CHEMBL2219569
+O=C(O)C(Cc1ccccc1Cl)Oc1ccc(Cl)cc1,CHEMBL486357
+CC(C)[C@@H](C)[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4070016
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12,CHEMBL195962
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cc(O)cc(C#N)c3)cnc21,bindingdb_645719
+CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_1127381
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cccc(OCCN3CCCCC3)c12,CHEMBL428732
+N#Cc1cc(F)cc(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)c1,bindingdb_648762
+OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1,bindingdb_1184193
+COc1cccc(CNC(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)c1,CHEMBL1610242
+CCO/N=C(\CC)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL230814
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCOCC4)ccc23)CC1,bindingdb_649490
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C[C@@H]1CC[C@H](C(F)(F)F)OC1,bindingdb_1143189
+COc1ccc(CCc2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)cc1OC,CHEMBL573648
+COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1Cc1ccc(F)cc1,CHEMBL3939561
+CCCCn1c(=O)c2ccccc2c2cc(C(C)(C)C)ccc21,CHEMBL1089421
+CCN(CCOC)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_647288
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)cc1F,bindingdb_511741
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(Br)cc3)C2)CC1,bindingdb_653154
+Cc1cc2cc(OCC(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3397334
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961356
+O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1,CHEMBL3775798
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnn(C3COC3)c2)c1)C12CC(F)(C1)C2,bindingdb_1017400
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3C3CCSCC3)c2Cl)cc1,bindingdb_168582
+C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235206
+Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cccc1C(=O)O,CHEMBL3335656
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651904
+Cc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1,bindingdb_417490
+O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccccc2)no1,bindingdb_672402
+CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O,CHEMBL398804
+CC(C)(C)NC(=O)N1C[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@](C)(c2ccccc2)C1,bindingdb_653340
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)N3CCC3)cc2)cc1,CHEMBL4282063
+Cc1cc(CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL221755
+COc1cc([C@@H]2OC[C@]3(CO)CC=C(C)[C@H]2C3)ccc1O,CHEMBL359688
+CCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL270664
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_650604
+O=C(Cc1ccncc1)N[C@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12,bindingdb_646871
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_653927
+Cc1ccc(C)n1-c1cccc(C(=O)O)c1,CHEMBL213432
+Cc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(C(C)C)cc3)no2)C1,bindingdb_584040
+CCOCCOCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018016
+Cc1cccc2c1OC(c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12,bindingdb_1050079
+CC(C)c1cc(Cc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,CHEMBL3261336
+O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2,bindingdb_961241
+CCCOc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC2(C)C,CHEMBL109581
+COCCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183970
+CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL454136
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(Br)c(C(F)(F)F)n1,bindingdb_1143439
+CC(C)N1CC2(CN(C(=O)C3CCc4c(C5=CCC(C(=O)O)CC5)nn(C(=O)c5c(Cl)cccc5C5CC5)c4C3)C2)C1,bindingdb_645892
+CCC1=C[C@@](CC)(C[C@H](/C=C/C(C)=O)CC)OC1=O,CHEMBL2178586
+CCOCC(=O)Nc1cccc(C(=O)OCC)c1,CHEMBL1496108
+COc1cc([N+](=O)[O-])cc2c1NC(C1CC=CCC1)C1CC=CC21,bindingdb_961284
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc5c(c4)CCCC5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263720
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc([C@H](C)OC)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270676
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO,bindingdb_402522
+CC(C)c1ccccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_403195
+Cc1ccc(C[C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1,CHEMBL419479
+COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403632
+COC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12,DB07707
+CCCCCCSc1cc(Cl)c(C(=O)CCN(C)C)cc1Cl,CHEMBL559717
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3ccccc23)cc1,bindingdb_998372
+COC(=O)c1c[nH]c2ccccc12,CHEMBL2270066
+CCCc1ncnc(C)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n(C(C)C)c2n1,bindingdb_649888
+O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(Cl)cc2)SC1c1ccccc1OC(F)(F)F,CHEMBL389564
+CS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1CO,CHEMBL71871
+Cc1cccc(CN2CCn3nnnc3C2c2ccc3c(c2)OCCO3)c1,bindingdb_651535
+COc1ccc(-c2cccc(N(CC34CCC(c5cnc(C(F)(F)F)nc5)(CC3)OC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017724
+Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(=O)O)c1,CHEMBL559567
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC(C)(C)C(F)(F)F)cc1OC,bindingdb_1183226
+COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O,CHEMBL1586096
+COC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL402893
+Cc1ccc(N=CC(C#N)c2ccsc2)cc1C,bindingdb_1000342
+C[C@@]12[C@@H](CN(c3ccc(C#N)c(C(F)(F)F)c3)S1(=O)=O)[C@H]1C[C@H](F)[C@@H]2C1,CHEMBL3949176
+CCNC1=NN=C(c2c[nH]c3ccccc23)CS1,bindingdb_672562
+O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,bindingdb_1000105
+C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCCCC)=C2c1ccccc1,CHEMBL1765954
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1,CHEMBL1164856
+COc1cccc(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1,bindingdb_583982
+CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCCCC2)C1,bindingdb_539853
+CCCC(O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130847
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)N(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263809
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccn2n1)C(F)(F)F,CHEMBL1255079
+CN(c1ccc(C(O)(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070354
+Cc1nc(C)c([C@](O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1,bindingdb_649881
+COc1nc2ccc([C@](O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OC(C)C,bindingdb_652530
+O=C(O)c1c(OC2CCC2)cc(Cl)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018938
+O=C(O)c1ccccc1Nc1ccc2ccccc2c1,bindingdb_964638
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(OC(C)C)cc3)nc2Oc2c(F)cccc21,bindingdb_1054305
+CCC(Cc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL426371
+O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL222026
+COc1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1O[C@@H](C)C(=O)O,CHEMBL3678163
+CN1CCN(C(=O)c2cc(COc3ccccc3)on2)[C@@H](c2ccccc2)C1,bindingdb_55733
+CCCCN(c1cccc(-c2ccc(OC)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760427
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(C[C@@H](Oc3ccc(-c4ccccc4)cc3)C(=O)O)cc2)cc1,CHEMBL4242324
+[C-]#[N+]c1ccc(NC(c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640850
+O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,DB02266
+Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1,bindingdb_953806
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOCCO[C@@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL2096804
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL1395
+COc1cccc2c1-c1ccc(NS(=O)(=O)c3cccs3)cc1C(c1ccccc1)O2,CHEMBL65570
+COC(=O)CC1(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CCCCC1,bindingdb_123933
+CCOC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)nc1C(F)(F)F,CHEMBL3673670
+C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCCCC(=O)O)=C2c1ccccc1,CHEMBL4288251
+COc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2,bindingdb_760177
+N#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2,bindingdb_69101
+C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB01708
+Cc1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646214
+O=C(O)[C@H](Cc1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL4247103
+COc1cccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(C)cc4C(=O)O)c3)c12,CHEMBL523594
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)csc3c2)cc1,CHEMBL1834968
+NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2C2CCCC2)ccn1,CHEMBL3643647
+CC(C)C1c2nn(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3889601
+CCC(O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965539
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCC(C)(C)CC2)cc1,CHEMBL3317862
+O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCc1cccnc1,bindingdb_292651
+COc1ccccc1-c1nc(-c2ccccn2)no1,bindingdb_1000364
+CC(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL2392656
+Oc1ccc(-c2nc3cc(O)cc(C4CCCC4)c3o2)cc1,CHEMBL364345
+C[C@](O)(CNc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074235
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934312
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl,DB07286
+C=CCC(OC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1)c1ccccc1,bindingdb_988649
+Cc1cc(C(F)(F)F)cc2c1c(Cc1c(Cl)ccc(C(=O)N3C[C@@H]4[C@H](C3)[C@H]4C(=O)O)c1Cl)cn2C,bindingdb_206708
+CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147561
+O=C1[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,CHEMBL182412
+CCN(CC)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c32)cc1,CHEMBL382734
+COc1ccc(Cn2ncc3cc(/C=C4\SC(=O)N(CCN5CCCC5)C4=O)ccc32)c(C(F)(F)F)c1,CHEMBL4170236
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCC4(CC3)OCCO4)cc2)cc1,CHEMBL185480
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc(OC(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_270925
+Cc1cc(C)c2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1,bindingdb_1715
+Nc1cccc(Nc2ncnc3ccccc23)c1,bindingdb_91239
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)nc1,bindingdb_123917
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4c(c3)ONC4(O)C(F)(F)F)ccc21,CHEMBL219610
+Cc1ccc(C(=O)N2CCC(CC(=O)O)CC2)c(C)c1Cn1ccc2cc(OC(F)(F)F)cc(C)c21,bindingdb_206599
+O=C1NC(=O)C2(CCC(C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)CC2)N1,CHEMBL3915876
+Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1,bindingdb_100126
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccncc3)nc2Oc2c(F)cccc21,bindingdb_1054363
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc(C#N)cc2)[C@H]3C(C)C)cc1,bindingdb_270830
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_402368
+CC/C=C(\CC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL216620
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CN1CCNC(=O)C1,bindingdb_652780
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(=O)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O,5xpo
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182895
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CO)C2)cc1,CHEMBL270839
+CC(C)[C@@H]1c2cc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,bindingdb_1130748
+CCN(Cc1cccnc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL216055
+Clc1ccc(CN2CCC3(CC2)OCCc2ccsc23)c(Cl)c1,CHEMBL4226176
+CCC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1,bindingdb_1183549
+CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL229786
+Cc1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cnc1C(=O)O,bindingdb_1017825
+CN(C)c1ccc(C(=O)OCC(C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1,CHEMBL373747
+COC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,CHEMBL1453481
+N#Cc1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270527
+CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cccc(C#N)c2)cc1)C(=O)O,CHEMBL20280
+O=C(Oc1cccc2c(O)cccc12)c1ccccc1Cl,CHEMBL1702774
+COC(=O)C1CCOCC1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F,bindingdb_648926
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2C(=O)O)c1,CHEMBL474551
+O=C(O)c1ccc2c(c1)C1C=CCC1C(c1cccc([N+](=O)[O-])c1)N2,CHEMBL1531628
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1644759
+CC1(C)CC(=O)C=C(c2ccc(-c3cnc4ccccc4c3)cc2)C1=O,bindingdb_539964
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNS(=O)(=O)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018347
+O=C(O)CCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1083187
+CC(C)(C)C(=O)Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(OC(=O)C(C)(C)C)ccc21,CHEMBL207362
+O=C(NCc1ccccc1)c1ccc2c(ccn2Cc2ccc(Cl)c(F)c2)c1,5two
+Cc1c(N2[C@@H]3CC[C@H]2C[C@@](C)(O)C3)ccc(C#N)c1Cl,CHEMBL3084681
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317836
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(CN3CCCCC3)cc2)cc1,CHEMBL340111
+CC[C@@H]1c2ccc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271234
+CNC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911268
+COc1ccc(C2=Nn3c([n+](C)c4ccccc43)SC2)cc1,bindingdb_539825
+COc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_403675
+CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2c(C(F)(F)F)noc12,CHEMBL175310
+COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2C(C)N2CCCCC2)cc1,CHEMBL1333846
+CCn1c(C[C@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127436
+Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3C(C)CCCC3C)cc2)CC1,bindingdb_584060
+O=C(c1ccc(Cl)cc1)N1CCCC(c2ccc(Cl)cc2)=N1,CHEMBL144045
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OCC4(C(F)(F)F)CC4)cc32)ccc1F,bindingdb_645557
+CC(C)(C)OC[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(C#N)cc1Br)c1cnc(C2CC2)nc1,CHEMBL4212204
+CC(C)[C@@H]1CN(c2ccc(F)c(S(N)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1143414
+CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O,CHEMBL86658
+CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(=O)O)cc2I)ccc1O,bindingdb_481778
+Cc1cccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)c1C,CHEMBL1423880
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CC(=O)O)cc1,CHEMBL39129
+O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccco1,CHEMBL1409901
+CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO,bindingdb_112090
+CCCCCCc1ccc2c(c1)c1ccccc1c(=O)n2CCCC,CHEMBL3259997
+CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL318280
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](C[C@@](C)(CO)C(=O)O)O2)C(F)(F)F,bindingdb_645207
+CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12,bindingdb_430651
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(C)c1,bindingdb_402767
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-],CHEMBL2348874
+COc1cccc(-c2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)c1,CHEMBL2037188
+Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1,CHEMBL3086025
+CC(=O)N1CCN(C(=O)[C@H]2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652758
+CC(=O)OC1(CC(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CN(C(C)=O)C1,bindingdb_651234
+O=C(O)C(Sc1nc(Cl)cc(NCCc2ccccc2)n1)c1cccc2ccccc12,CHEMBL1089825
+CC(=O)Nc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1,CHEMBL1320035
+Cc1nc(C(F)(F)F)cn1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-c1nc(C(C)C)oc1-c1ccc(OC(F)(F)F)cc1,CHEMBL3342788
+Cc1cc(-c2ccccc2)ccc1O[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2312707
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC4(CCCO4)C2)C3)CC1,bindingdb_646957
+COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)O,CHEMBL3335661
+CC(C)NS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648658
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3c(F)cccc23)s1,bindingdb_647005
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2,CHEMBL539163
+O=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393178
+O=S(=O)(c1ccc(F)cc1)[C@@]12CC[C@@H](Nc3ccccc3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_651143
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(F)(F)F)N1C[C@H](C)C(=O)O,bindingdb_401756
+O=C(O)C1CCCC(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC3C2)C1,bindingdb_649470
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)c4ncco4)cnc23)c(F)c1,bindingdb_654211
+CCn1nc(C(=O)O)c2ccc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc21,bindingdb_1017628
+CN(C)C(=O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645646
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_401865
+CC1(OC(=O)N2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)CC1,bindingdb_647428
+CC1(c2cc(C(=O)NC3(C#N)CC3)cc(-c3sc(C(=O)NC4CCS(=O)(=O)CC4)nc3CC3CCCCC3)c2)CC1,bindingdb_648258
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3cc(C)nc(C)c3)c(S(C)(=N)=O)c2)cc1,bindingdb_54996
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(-n4ccnc4)nc4c(C(F)(F)F)cccn34)c2)c1,CHEMBL608531
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccsc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL397191
+O=C(O)c1ccc2cc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017543
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)Oc3ccccc3)ccc2O1,bindingdb_650515
+CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,CHEMBL682
+OC(c1ccccc1)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4208253
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OC2)cc1,bindingdb_402880
+CC/C(=C1\c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120317
+O=C(O)CC(Cn1nn[nH]c1=S)c1ccccc1,bindingdb_831347
+CCOC(Cc1ccc(OCCN2CC=C(c3cccc(Cl)c3)CC2)cc1)C(=O)O,CHEMBL475916
+CCn1c(C[C@H]2CC[C@H](C(F)(F)F)CC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206246
+CC1(C)C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3c(=O)[nH]ccc23)c2ccc(F)c(O)c21,CHEMBL4085241
+CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL1233249
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccc3cnn(C)c3c2)c2ccc(Br)cc2)cc1,CHEMBL3990856
+Cc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1,bindingdb_1183070
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2cccc(C(F)(F)F)c2)cc1,CHEMBL1081771
+C=Cc1ncn(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_653733
+CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL551928
+CCc1ccc(-c2nc(CSCC(=O)NCCCN3CCCC3=O)c(C)o2)cc1,bindingdb_584109
+Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL396496
+COCC(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ccccc21,bindingdb_652391
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCCCC1,CHEMBL572212
+COC(=O)c1ccc(Cc2c(C)n[nH]c2C)cc1,CHEMBL4226575
+Cc1ccc(Oc2ccc(Nc3ccccc3C(=O)O)cc2)cc1,bindingdb_476027
+N#CC(C#N)=c1ccc2c(c1)NC1(CCCCC1)N=2,bindingdb_760397
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCC(=O)N(C)C4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL408376
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC3(O)CCS(=O)(=O)CC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_653991
+C[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3901337
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(O)Cc1ccncc1,bindingdb_646563
+CN1CC2N(C(=O)[C@]3(F)CC[C@@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2ccccc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_645750
+CC(=NNC(=O)c1cccs1)c1cccc(N)c1,bindingdb_55723
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43/C=C\Cl)C1CC[C@@H]2O,CHEMBL201569
+CCc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401940
+CC(C)CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650562
+CC[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_270833
+NC(=O)CN1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_646394
+O=C(O)c1cc(F)c(-c2nn(Cc3cc(Cl)ccc3Cl)c3cccc(F)c23)cc1O,bindingdb_650100
+CC(C)c1ccc(NC(=O)c2cnc3c(c(F)nn3C3CCOCC3)c2Cl)cc1,bindingdb_168517
+CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(=O)O,CHEMBL232798
+COCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL3264987
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1cccnc1,CHEMBL583625
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4ccccc4C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650522
+O=C1C(=O)N(CCN2CCOCC2)C(c2ccc(F)cc2)C1C(=O)c1cc2ccccc2o1,bindingdb_87298
+Oc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1,CHEMBL371012
+O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3F)cc2N1,CHEMBL1929032
+CCC(Oc1cccc(CN(CCCOc2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL246069
+Cc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2OCC1,bindingdb_401176
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2cc(Br)ccc2F)[C@H]3C(C)C)cc1,bindingdb_271002
+CCC1Oc2c(ccc(O)c2C)-c2c(C)cc(O)cc21,CHEMBL206439
+COC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590853
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1c[nH]cn1)O2)C(F)(F)F,bindingdb_646626
+CCS(=O)(=O)C(C)(C)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_646136
+CCS(=O)(=O)NC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_650689
+Cc1ccc(OCCNCCCF)nc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401530
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)CC2)ncc1CO,bindingdb_125968
+O=C(NS(=O)(=O)C1CCC(O)CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017884
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CC4(C3)CC(F)(F)C4)cc2C(F)(F)F)s1,bindingdb_1182970
+O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1CC(F)(F)F,CHEMBL1093518
+CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@]1(C)CCC=C(C)C,CHEMBL445689
+O=C1[C@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL219198
+O=C(CO)N1CCC(O)(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_652861
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(F)cc1F,bindingdb_653711
+Fc1ccc(F)c(C2c3nnnn3CCN2Cc2ccccc2)c1,bindingdb_650493
+N#Cc1ccsc1NC(=O)CSc1nncs1,bindingdb_999765
+Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1Cl,CHEMBL4060271
+CC(C)[C@H]1c2nc(NS(=O)(=O)c3ccc(CC(=O)O)cc3)sc2CN1Cc1ccc(Cl)cc1,bindingdb_270769
+Cc1cc(C(=O)O)cc2sc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)nc12,bindingdb_1018563
+Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL174502
+COc1ccc(-c2cncnc2)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F,CHEMBL1254174
+CCOC(Cc1cccc2c1ccn2CCc1nc(-c2ccccc2)oc1C)C(=O)O,CHEMBL427408
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCCS(C)(=O)=O)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022128
+Fc1cccc(F)c1CN=Nc1ccccn1,bindingdb_999562
+N#Cc1cc(F)ccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650926
+Cc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1,CHEMBL3189771
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3(C#N)CC3)c2=O)nc1,bindingdb_646388
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cc1,bindingdb_511721
+Oc1ccc2c(c1)CCCC(c1ccc(S(F)(F)(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401963
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB06777
+Oc1ccc(-c2c(-c3ccccc3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1,CHEMBL191066
+Cn1c(C#N)ccc1-c1ccc(C(O)c2cccs2)cc1,CHEMBL1209366
+Oc1ccc2c(c1)SCC(c1ccc(OCF)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403846
+CC(C)(O)Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_653815
+Fc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)cc1Cl,CHEMBL26997
+N#Cc1ccc(N2C[C@@H]3[C@@H]([C@@H]4C=C[C@H]3C4)S2(=O)=O)cc1C(F)(F)F,CHEMBL3987109
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C[C@@H](O)C[C@@H](O)CC(=O)O)cc3)C[C@@]21C,CHEMBL182883
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(CCO)C(N)=O)C[C@H]2O)c1F,bindingdb_988838
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc5c(c4)OCO5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263640
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(C#N)cc3)sc2CN1Cc1ccc(Cl)cc1,bindingdb_270879
+Oc1ccc2c(c1)SCC(c1ccc(F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402433
+CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334728
+CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)CO[P@@](=O)(O)OC[C@H](O)CO,DB04683
+COc1ccc(CC(C)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL270665
+CC(C)(O)C(F)(F)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_646262
+FC(F)(F)c1cccc(CNc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)c1Cl,CHEMBL550035
+CC(C)(C[C@@H]1CN(S(=O)(=O)c2cncc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648338
+CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1,DB07712
+CC(C)(CC(O)(Cc1ccccn1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL366182
+O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1,bindingdb_1026152
+Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3990473
+CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,CHEMBL383944
+CC1=C[C@@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1,CHEMBL453579
+NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(c2ncon2)CC1,bindingdb_989031
+COC(=O)c1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_68683
+O=C1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL220359
+O=C(O)c1ccc(-c2noc(-c3cc4c(Cl)ccc(Cl)c4o3)n2)cc1,bindingdb_965518
+Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C,CHEMBL3645265
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N4CCCC4)cc3)C[C@@]21C,CHEMBL4162539
+N#Cc1ccc(SCC2CC2)cc1C(F)(F)F,CHEMBL453623
+CC1(C)CC(=O)C(=CNc2ccccc2)C(=O)C1,bindingdb_1005015
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1,CHEMBL1392188
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)Cc2ncc(NC(=O)c3c(F)cccc3Cl)cc21,bindingdb_998150
+O=S(=O)(c1cccc2ccccc12)N1CCc2cc(O)ccc2C1,CHEMBL1766964
+COc1cc([C@H]2[C@H](c3ccc(O)cc3)C(=O)N2c2ccc(O)cc2)cc(OC)c1OC,CHEMBL3360849
+Cc1ccc(NC(=O)COC(=O)C(NS(=O)(=O)c2ccc(Cl)cc2)C(C)O)cc1C,bindingdb_1709
+CC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL3357421
+Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c(C)c1,CHEMBL272175
+C[C@](O)(CBr)C(=O)Nc1ccc2ncncc2c1,bindingdb_475638
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1F,bindingdb_403186
+Cc1nn(Cc2ccncc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337822
+C[C@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CC(=O)O,CHEMBL4206950
+COC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C)cc1)C2,CHEMBL255369
+Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1cc(O[C@@H](C)C(=O)O)ccc1F,CHEMBL509369
+OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F,CHEMBL214777
+Cc1occc1C(=O)Nc1ccccc1NC(=O)c1ccoc1C,CHEMBL1500491
+O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1,bindingdb_1017887
+COc1ccc2c(c1)C1CC1(C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126860
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC(N2CCNCC2)C1,bindingdb_653575
+CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CCNC(=O)C2)c(C)c1,CHEMBL541478
+CCCCn1nc(C)c(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1,CHEMBL3337823
+CC(C)c1nc(-c2ccnc3ccccc23)nc2c1CC[C@@H]1[C@@H](C)C(=O)C(C#N)=C[C@@]21C,bindingdb_652591
+CCC1CC1S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648828
+Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(OC(F)(F)F)cc12,bindingdb_206607
+COCCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL595804
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](C[C@H](C(=O)O)C1CC1)O2)C(F)(F)F,bindingdb_648331
+CC(C)Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,bindingdb_475957
+CC1(c2nc(C34CCC(CN(C(=O)C56CC(F)(C5)C6)c5cccc(-c6ccc(NS(C)(=O)=O)cc6)c5)(CC3)CC4)no2)CC1,bindingdb_1017981
+COc1ccccc1NC(=O)N(CCCCC1CCCCC1)CCc1ccc(SC(C)(C)C(=O)O)cc1,CHEMBL20392
+NCCOc1ccc(/C(=C2\CCc3ccccc32)c2ccc(O)cc2)cc1,CHEMBL3422045
+c1ccc(OCCSc2nnc3sc4ccccc4n23)cc1,bindingdb_760616
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(O)C(=O)O)O2)C(F)(F)F,bindingdb_645496
+O=C(O)[C@H]1CC[C@@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3965653
+Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1088485
+NCCOc1ccc(/C(=C(/Cn2cnnc2)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3422043
+COc1cccc(C2SC(c3ccc(Cl)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC,CHEMBL387997
+C(=C/n1nnc2ccccc21)\c1ccccn1,bindingdb_1000346
+CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,CHEMBL1085
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_401653
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C(=O)NC1CC1,bindingdb_653006
+CCCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1,bindingdb_953749
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@H](CNC(=O)[C@H]1C[C@@H]1F)O2)C(F)(F)F,bindingdb_648528
+O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)cc1O,5c4u
+CCN(C(C)=O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCCO)cc1C(C)(C)C,CHEMBL3957342
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@H]2O,CHEMBL1627346
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)[C@H](O)C[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL2079385
+CC(C)OC(Cc1ccc(OCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O,CHEMBL80772
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ncn2)N1CC(F)(F)F,bindingdb_401186
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1C(F)=C2,bindingdb_1018262
+CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c1,bindingdb_672392
+C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34C=CCO4)[C@@H]21,CHEMBL3692347
+O=S(=O)(Oc1ccc(F)cc1)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4216877
+CS(=O)(=O)CCNC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018799
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(C(F)(F)F)OC2)[C@@H]3C(C)C)nc1,bindingdb_271227
+CC(C)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL187663
+Cc1cn(Cc2ccc(O)c(C3CCCC3)c2)c2ccc(OCC(=O)O)cc12,CHEMBL3397344
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccncn1,CHEMBL203085
+O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCC4)ccc3[nH]2)cc1)c1ccccc1Cl,CHEMBL214445
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1,bindingdb_1184297
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nn(C)cc1-c1ccno1,bindingdb_653606
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccc(F)cc3F)cc2)cc1,CHEMBL4293008
+O=c1[nH]c2cc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2o1,bindingdb_1018635
+Cn1c(N)nc2ncc(-c3ccc(O)cc3)cc21,DB06898
+Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1,CHEMBL188528
+CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,bindingdb_69261
+CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348888
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(c3ccccc3)C[C@H]2C(=O)O)c1,CHEMBL3398445
+NC(=S)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1,bindingdb_999797
+O=C(C1Cc2cc(Cl)ccc2N1)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650264
+Cc1cc[n+]2c3c(cccc13)CCC2,CHEMBL1621489
+O=C(O)c1cc(-c2noc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)ccn1,bindingdb_1018518
+CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14544
+COc1cc2c(C#N)c(N3CCN(C)CC3)nc(N)c2c(N)n1,CHEMBL1452830
+CCn1c2ccccc2c2cc(Nc3cc(C)nc4ncnn34)ccc21,bindingdb_584475
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(OCCNCCCF)c2F)N1CC1(F)CC1,bindingdb_401669
+Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1,CHEMBL199599
+O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,bindingdb_69073
+Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4091541
+CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL100231
+Cc1ccc(C)c2c(C)c(-c3nc(-c4ccc(C(=O)O)cc4Cl)no3)oc12,bindingdb_965503
+CC(C)(C)c1c(/C=C/c2ccccc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_647567
+c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1,bindingdb_55690
+CC1(C(=O)NC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCCC1,bindingdb_646818
+CC(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3934504
+CCC1(CC(O)(Cc2cc(Cl)nc3ccccc23)C(F)(F)F)CCCc2ccccc21,CHEMBL236853
+NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)CC1,bindingdb_988808
+CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1,CHEMBL15766
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(N)=O)ncc2[nH]1)C(F)(F)F,CHEMBL3358930
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1C(C)(C)C,CHEMBL551979
+CC1CC(C(=O)O)CC=C1c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12,bindingdb_646909
+O=C(O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1C(F)(F)F,bindingdb_1018509
+Oc1ccc2c(c1)SCCC(c1ccc(Cl)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401043
+CC(C)(C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCNCC1,bindingdb_650606
+COc1ccc(-c2ccc([C@H]3C[C@@]4(C)[C@@H](C[C@@H](C)[C@@H]4C(=O)C4CC4)[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)cn1,CHEMBL260869
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2(C(F)(F)F)CCC2)cc1C(F)(F)F,bindingdb_1183393
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183440
+CC(C)[C@@H]1c2cc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,CHEMBL3672848
+O=C(CO)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_653346
+C=CCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_653482
+CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1,bindingdb_27788
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccnc(NS(C)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652217
+Cc1cnc(-c2ccc(F)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL393778
+CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCCBr)cc2)C1=O,CHEMBL2263569
+CCCCCOc1ncccc1C(O)CCCCCCC(=O)OC,CHEMBL196227
+CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,bindingdb_1004932
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)CC(C(O)C(F)(F)F)O2)C(F)(F)F,bindingdb_647375
+CCN(CC)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL376182
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,CHEMBL571226
+CC#CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1,CHEMBL254539
+COc1nc2ccc([C@](O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C,bindingdb_652247
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)C2CCCCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146821
+O=C(O)c1ccc(-c2noc(-c3cc4c(C(F)(F)F)ccc(F)c4o3)n2)cc1,bindingdb_965501
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CC[C@H](C(F)(F)F)OC3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1143296
+C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1,CHEMBL1255008
+CC[C@H]1c2ncc(C(=O)N[C@@H](COC(N)=O)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_270545
+CC(C)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL251064
+O=Nc1c2cc(-c3ccccc3)[nH]nc-2c2ccccc12,bindingdb_69133
+O=C(O)C1Nc2ccc3ccccc3c2C2C=CCC12,CHEMBL1585785
+C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)nc1,bindingdb_1017827
+CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1,CHEMBL1519514
+O=C(O)c1cc(C(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018979
+Cc1nc(C)c(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)s1,bindingdb_652470
+Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1,bindingdb_1026151
+O=C(O)Cc1coc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,CHEMBL234800
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182798
+CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1,CHEMBL3358954
+Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1,bindingdb_27779
+C#Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_403763
+C[C@H]1CCCN1C(=O)c1nc(C(N)=O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184367
+Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=S)NC3CCCCC3)cc2)c1=O,CHEMBL3915254
+O=C(O)c1cccc(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018034
+O=C(N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)C12CCC(C(=O)O)(CC1)OC2,CHEMBL3965360
+COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O,bindingdb_584499
+CCN(CC)CCCNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCC3,bindingdb_112161
+C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL402063
+C[C@H](CS(C)(=O)=O)n1ccc2c(C(F)(F)F)c(C#N)ccc21,bindingdb_430684
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426665
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)cc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206544
+OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)cc2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL516827
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(C(F)F)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_651206
+Cn1cnc(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2c(F)cccc2Cl)c1,CHEMBL1092952
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NS(C)(=O)=O)cc1,CHEMBL254744
+COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1OC,CHEMBL1530757
+C[C@]1(C(=O)N2C3CCCCC3C3CCCCC32)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL370175
+Cn1cc(-c2ccc(CN(c3ncnc(NC[C@]4(O)CCN(CC(N)=O)C[C@@H]4O)c3F)C3CC3)c(F)c2)cn1,bindingdb_988817
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC,CHEMBL4159590
+Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O,bindingdb_1733
+CC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1,CHEMBL370403
+Oc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL218220
+O=C(O)[C@H](Cc1ccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL4251393
+N#CCc1cc(O)c(Cl)c2cc(-c3ccc(O)cc3)oc12,CHEMBL183152
+CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@H]5COC(=O)C5=CC[C@H]4[C@]3(C)CC[C@@H]12,CHEMBL250263
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654929
+C/C=C(\C)CC(=C/C(=O)O)/C=C(C)/C=C1\CCCC(CC)=C1C(C)C,CHEMBL72988
+COc1c(C(=O)Nc2nnc(C3CC3)s2)csc1Cl,bindingdb_999719
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(C#N)c1)C(F)(F)F,CHEMBL235689
+Cc1cccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1,CHEMBL257379
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(COCCN3CCCCC3)cc2)cc1,CHEMBL122237
+CC(CNC(=O)[C@@]1(C)CCC[C@]2(C)c3ccccc3CC[C@@H]12)(c1ccccc1)c1ccccc1,CHEMBL365750
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(C(C)(C)C)cc3)C2)c1)C(=O)O,CHEMBL485291
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccc(NCCS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648841
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(-c5ccccc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017971
+O=C(O)c1cc(C(F)(F)F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1018439
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CC[C@@H](C)C3)cc2)c2ccc(O)cc12,CHEMBL198914
+COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_403348
+CCCc1ccccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL375098
+CCCCCCOc1cc(C)c(C(=O)CCN2CCN(C(C)=O)CC2)c(C)c1,CHEMBL551106
+CCCCCCCCC[C@H]1C[C@@H](O)[C@H](O)/C=C/[C@H](O)CC(=O)O1,CHEMBL2036277
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183603
+COc1cc(C(O)C2CCCC3=CC(=O)CCC32C)cc(OC)c1OC,CHEMBL182853
+CN(C)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,bindingdb_1054287
+CCOC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\O)c4ccccc4)ccc32)cc1)OCC,CHEMBL253851
+COc1ccc(Oc2ccc(CN(Cc3cc(F)cc(F)c3)c3c(Br)cc(CC(=O)O)cc3Br)cc2)c(OC)c1,CHEMBL2087297
+COC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O,CHEMBL2263567
+CCC(Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1)C(=O)O,CHEMBL3764216
+Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1,bindingdb_760349
+Cc1cc(C)c2c(c1)c(=O)oc1cc(O)ccc12,CHEMBL380720
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(I)c(C(F)(F)F)c1,CHEMBL3897812
+Cc1cn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)cc12,bindingdb_18539
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(=O)O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL590350
+Cc1c(O)ccc2c1oc(=O)c1ccccc12,CHEMBL203519
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(CCc2ccc(O)c(O)c2)cc1,CHEMBL575000
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCCCC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3828117
+CCn1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C(N)=O)Oc3ccc(N(C(=O)[O-])C(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649678
+CCc1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1182849
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C(C)C)CC1)cn2C,bindingdb_645754
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1Cl)C(F)(F)F,CHEMBL237807
+Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL4290025
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCN(C3CCCCC3)CC2)cc1)c1ccccc1,bindingdb_375323
+CCCc1nn2ccc(-c3nc4ccccc4n3CCC)cc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,CHEMBL3115243
+Oc1ccc2c(c1)CCCC(c1ccc3ncoc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401333
+C/C(=C\c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL32505
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,DB08899
+CC(=NNC(=O)c1ccoc1C)c1cccc(NC(=O)C(F)(F)F)c1,bindingdb_69103
+CCOc1ccc(C2=C(c3cnc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SC2)c(F)n1,bindingdb_403608
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1,bindingdb_650291
+CS(=O)(=O)N1CCN(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,bindingdb_654357
+O=C(COC(=O)Cc1ccccc1)Nc1ncc(Cl)cc1Cl,CHEMBL1469796
+O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(Cl)cc2)SC1c1cccc2c1OC(F)(F)O2,CHEMBL243531
+CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1,bindingdb_112292
+CCCc1c(OCCCN(C)c2ccc(CC(=O)O)c(Cl)c2)ccc2c(C(F)(F)F)noc12,CHEMBL208967
+CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1,bindingdb_760371
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,CHEMBL329198
+O=C(O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1,CHEMBL4248237
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6noc(C(C)C)n6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1017697
+COc1ccc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1C(=O)O,bindingdb_1017776
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCNCCCF)cc2F)N1CC(F)F,bindingdb_402853
+Cc1cc2cc(C(C#Cc3ccc(C)s3)/C=C\COc3ccc(OCC(=O)O)c(C)c3)ccc2o1,CHEMBL234907
+CCCCCS(=O)(=O)NC(=O)CCc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933836
+O=C(O)Cc1cccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018802
+Cc1nn(Cc2ccncn2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168421
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(-c5csc(C)n5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017684
+N#Cc1cc(C(F)(F)F)cc(C23CCC(COCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)c1,bindingdb_1018124
+NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1,CHEMBL3643645
+CCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O,CHEMBL2153837
+C[C@](O)(CBr)C(=O)Nc1ccc(N)c(C(F)(F)F)c1,CHEMBL49615
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)O)c(C(F)(F)F)n1,CHEMBL3673687
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182740
+CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(N(C)C)c(CO)c2C1=O,bindingdb_1127552
+Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C(C)C,bindingdb_206259
+CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1,CHEMBL3699397
+Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2F)s1,CHEMBL2332600
+O=C(O)C(Cc1ccc(Br)cc1)Oc1ccc(Cl)cc1,CHEMBL508225
+COC(=O)CN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1,CHEMBL4246995
+COc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(C#N)c1OCC(F)(F)F,bindingdb_653383
+Cc1cc(CC(=O)O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,CHEMBL4251364
+CCNC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650619
+COc1nc2ccc([C@](O)(c3cnnn3C)C3CN(S(C)(=O)=O)C3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653477
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1182648
+CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@@H](C(F)(F)F)C2)c1,bindingdb_1143292
+COCCCNc1nc2c([nH]1)c(=O)[nH]c(=O)n2C,bindingdb_831678
+Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168448
+O=C(O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1,CHEMBL346267
+CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2cc(NC(=O)O[C@@H]3C[C@@H]4CC[C@H]3C4)ccc2O1,bindingdb_650116
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(=O)(=O)NCO)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184037
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL403669
+Cc1cc(CNC(=O)c2cc(-c3ccc(CC(C)C)cc3)nn2C)ccc1OC(C)(C)C(=O)O,CHEMBL455158
+COc1cccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1,CHEMBL572484
+Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1F,CHEMBL4092535
+C[C@@]1(C(=O)O)CCN(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)C[C@H]1O,bindingdb_646276
+O=[N+]([O-])c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)s1,CHEMBL2381197
+N#CCSc1ccccc1NC(=O)CN1C(=O)C2CC=CCC2C1=O,bindingdb_292548
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(O)C3)c1Cl)n2C,bindingdb_206462
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)c(Cl)c2)cc1,CHEMBL1079668
+CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1,CHEMBL272304
+C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074224
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(OCCNCCCF)c2)N1CC(F)(F)F,bindingdb_403540
+CC(C)(Cc1nnc(-c2nc(CN3CCC[C@@H](F)C3)c(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c3Cl)s2)o1)C(=O)O,bindingdb_645041
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1,bindingdb_982727
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccccc3)C(c3ccccc3)C2)c1,bindingdb_1004472
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CC[C@H](OC)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O,5xpm
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],CHEMBL2348866
+Cc1ccc(C)c2oc(-c3nsc(-c4ccc(C(=O)O)cc4)n3)cc12,bindingdb_965506
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1COC1)O2)C(F)(F)F,bindingdb_646386
+C[C@H](COc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)N1CCCC1,CHEMBL2024377
+Cc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL502126
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCN(Cc2ccccc2)C1,bindingdb_652744
+O=S(=O)(CC(F)(F)F)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F,bindingdb_257869
+CCOC(=O)c1[n-]c2ccccc2c1[N+]#N,bindingdb_45519
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CN1CCCC1=O)O2)c1c(Cl)cccc1Cl,bindingdb_998325
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)c(F)c3)c1)CCC2,CHEMBL2312269
+C[Si](C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_404101
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3c(N)ccc4nccn34)C(=O)[C@H]12,CHEMBL271261
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_271034
+Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)nc2ccccc12,CHEMBL1209060
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCCCN3CCCCC3)ccc12,CHEMBL241484
+O=c1[nH]c(=O)c(Cc2ncccc2Cl)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204052
+C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CCN(C(C)(C)C)CC3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1089270
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cn2)N1CC(F)F,bindingdb_402093
+CN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc4ccccc34)cc2)cc1,bindingdb_109246
+NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)cc1,bindingdb_646889
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)n3C)cc1,bindingdb_270593
+CC(C)C1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL488351
+COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)ccc(F)c2F)c1OC,CHEMBL243493
+N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1,CHEMBL198159
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)c(N)c1,bindingdb_645475
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1Cc1ccccc1,CHEMBL549685
+N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1,CHEMBL3094367
+CC1=CC(C)(C)Nc2ccc(-c3ccc([N+](=O)[O-])s3)cc21,CHEMBL133656
+O=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,CHEMBL1383031
+CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1,bindingdb_27793
+COC[C@@H]1C[C@@H]2[C@H](CCC3C(O)CC[C@H]32)c2ccc(O)cc21,bindingdb_831642
+Fc1ccc(F)c(C2c3nnnn3CCN2Cc2cccc(F)c2F)c1,bindingdb_650403
+CCCCCCc1ccc(C(=O)CCN(C)C)cc1,CHEMBL236033
+C[C@]1(C(=O)CC(=O)C23CC4CC(CC(C4)C2)C3)CCC[C@]2(C)c3ccccc3CC[C@@H]12,CHEMBL194866
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cccc(O)c1,CHEMBL309909
+CCc1ccc(-c2ncc(F)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL430182
+CC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,bindingdb_197523
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018997
+CCCc1nnc(/C=C/c2ccc(Oc3c(-c4ccccc4C(C)C)sc4cc(O)ccc34)cc2)[nH]1,bindingdb_401388
+CCCCC12CCC(=O)C=C1c1ccc(O)cc1C2,CHEMBL377342
+C[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1C,CHEMBL401012
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC21O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1,CHEMBL193798
+O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1,CHEMBL1337717
+COCCN(C)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C,bindingdb_125938
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCNC1,bindingdb_646453
+CC(C)S(=O)(=O)Nc1ncc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_648325
+Oc1cccc(C2=Cc3ccc(O)cc3C23Cc2ccccc2C3)c1,CHEMBL144431
+COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)nn1,CHEMBL1455030
+NC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,CHEMBL189541
+Cc1cnn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582115
+NC(=O)[C@H](NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)c1ccccc1,bindingdb_652008
+O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1CC1CC1,CHEMBL3259993
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL95644
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccc3ccccc3c2)cc1,CHEMBL396696
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(OC)c3)cc21,CHEMBL203339
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCS(=O)(=O)C3)c2)c1)c1ccc2c(c1)OCCO2,bindingdb_417575
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2nc3ccccc3s2)s1,CHEMBL2059556
+Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(F)nc1,CHEMBL3261425
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3[C@H](C)CCC[C@@H]3C)cc2)c2ccc(O)cc12,CHEMBL3657180
+CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(F)c(Cl)c3)nc2C)c1,CHEMBL2397336
+Cc1ccc(C2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1,bindingdb_1004926
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C2CCC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270502
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)OC5)C(=O)C4CCC(F)(F)C4)c3)cc2s1,bindingdb_1018467
+CN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348910
+C[C@H](N)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4161594
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2C(=O)O)cc1,CHEMBL474947
+O=S(=O)(NC(Cc1c[nH]c2ccccc12)C(F)(F)F)c1c(Cl)cc(Cl)cc1Cl,CHEMBL3093442
+Oc1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL472468
+O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc21,bindingdb_584380
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206442
+COCCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_653641
+O=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12,CHEMBL1393131
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4cccnc4)ccc23)cc1,bindingdb_55090
+CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL181954
+COc1ccc(C(=O)n2c(C)c(Cc3ccccc3O[C@@H](C)C(=O)O)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL181937
+Cc1c(O)ccc2c1c(=O)oc1c(Br)c(O)ccc12,CHEMBL205350
+COc1ccc(/C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC,CHEMBL3623110
+O=C(O)c1ccc2c(c1F)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402610
+CC(C)(Oc1cccc(CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O,CHEMBL443218
+COc1ccc(C(=O)CSc2nccn2C)c(OC)c1,bindingdb_69225
+CC(C)[C@H]1c2nc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)sc2CN1Cc1ccc(Cl)cc1,bindingdb_123922
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1cc2ccccc2s1,bindingdb_417452
+Cc1cc2c(cc1O)OCCC(c1cccc(O)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402715
+C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(C)nc2)on1,bindingdb_539809
+CC(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706881
+CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,bindingdb_999627
+Cc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1,CHEMBL4226389
+CCCc1cc(-c2nc(C)c(C(C)=O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219668
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(N)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183894
+CCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21,CHEMBL3765692
+O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1OC(F)(F)F,CHEMBL4100158
+Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(=O)O)cc12,CHEMBL3397345
+Cc1cccc(N=Nc2cnc(N)s2)c1,bindingdb_999735
+CC1(F)OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419307
+COc1ccc([C@H]2CC[C@H](CN(c3cccc(-c4cnn(CCO)c4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1C,bindingdb_109234
+Clc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1,bindingdb_69331
+CS(=O)(=O)N1CC(CC(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_647690
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc(Cl)cc1,CHEMBL480800
+CCOc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1,CHEMBL1404523
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCn2nc(C(F)(F)F)nc2C1,bindingdb_654997
+COc1cccc(C2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccccc2F)c1OC,CHEMBL243276
+C[C@]12CCC(=O)C=C1C[C@@H](CCCCc1ccc(OCCCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL238001
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,DB03756
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1coc(C)n1,bindingdb_649725
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O,CHEMBL3588884
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCOC4)cnc23)c(F)c1,bindingdb_653609
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3814206
+CCCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1183690
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl,CHEMBL229159
+Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1,bindingdb_760509
+Fc1ccc(-n2ncc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1,CHEMBL1086071
+COc1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1F,bindingdb_650635
+CC[C@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_648647
+CC(=O)N1CCN(c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)C#CC(C)(C)C)[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)CC1,bindingdb_168497
+CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1,bindingdb_27783
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_401670
+Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O,CHEMBL1630383
+CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1,bindingdb_558651
+c1csc(CCNc2ncnc3sc4c(c23)CCC4)c1,bindingdb_584498
+CC[C@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C)ncnc3C(F)(F)F)nc21,bindingdb_646266
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nccc(C#N)n1,bindingdb_1143196
+Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1,bindingdb_25300
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC4(COC4)C3)c1Cl)n2C,bindingdb_647903
+CC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1630762
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1183852
+O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCOCC1,CHEMBL124819
+COc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL335996
+Cn1cccc1C(=O)OCc1csc(-c2ccccc2)n1,bindingdb_672311
+COCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL395716
+C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(-n5cccc5)cc4)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2326072
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263893
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)NC1CCOCC1)O2)C(F)(F)F,bindingdb_646041
+CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(-c3ccccc3)c2)n(C(C)C)n1,CHEMBL3598297
+C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,CHEMBL1873475
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB00443
+Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1,CHEMBL3264624
+CCC(Cc1c(C)cccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094472
+CCC(Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL248526
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccccc2)c(C)c1,CHEMBL3261410
+Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1,bindingdb_1740
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCS(=O)(=O)C3)c2)c1)c1ccccc1,CHEMBL4098197
+CCCc1cc(C(=O)CC)cc(CCC)c1CC(C(=O)O)c1ccc(C(C)C)cc1,CHEMBL371832
+Cc1nc2sc(-c3ccccc3)cc2c(=O)n1N,bindingdb_55675
+O=C1COc2ccc(C3=Nn4cnnc4S[C@H]3c3ccccc3)cc2N1,3vhv
+CN1C(=O)[C@@H](F)C[C@H]1C(=O)N1CCC2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_654690
+CCOc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c1,bindingdb_401252
+C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,DB14639
+O=C(O)Cc1ccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL213524
+O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603424
+O=C(/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1)N1CCCC1,CHEMBL4228923
+CCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL215585
+COc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12,bindingdb_953930
+CN1CCCC(OC(=O)c2ccc3c(c2)OCCO3)C1,CHEMBL1624093
+Cc1nc(-c2ccc(Cl)cc2)sc1CCC1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934473
+Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,DB14001
+CN(CCn1cccn1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_648414
+O=C(OCc1nc(-c2ccccc2)oc1C(F)(F)F)c1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1,bindingdb_988908
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CC(O)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55030
+Cc1cc2c(cc1O)OCCC(c1cccc(Cl)c1C)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404146
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)[C@H](c3ccccc3)C2)c1,bindingdb_68689
+CC1=CC(C)(C)Nc2ccc(-c3ccc(Br)s3)cc21,CHEMBL339399
+Cc1c(Oc2ccc(Cl)cc2)c2ccc(Cl)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1,CHEMBL461944
+Cc1cc(F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2oc1=O,CHEMBL3427401
+CC(C)n1c(O)nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL365536
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)[C@H]3C(C)C)cc1,bindingdb_271149
+C=C(C)[C@@H]1[C@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O,CHEMBL2382121
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1,bindingdb_1183996
+CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)O)ccc21,CHEMBL492535
+C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2CCC,CHEMBL1765947
+C[C@@H](C#N)Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_654547
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1F,bindingdb_961217
+CC(C)N1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CN(C[C@@H](F)C(C)(C)O)C3=O)CC1,bindingdb_1127434
+COc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12,bindingdb_584251
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)O)cc1F,bindingdb_1017872
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC[C@H]3[C@@H]4COC[C@@H]43)c(S(C)(=N)=O)c2)cc1,bindingdb_206503
+Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(CC(C(=O)O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL476896
+COc1ccc2c(-c3c(C)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc34)noc2c1,2p4y
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(OC)c1Cl,CHEMBL1760400
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCC5)oc3C)ccc21,CHEMBL200138
+CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)Nc2cccc(C(=O)O)c2)cc1,CHEMBL3335667
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(Br)cn3ncnc23)c1)C12CC(F)(C1)C2,bindingdb_1019128
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@@H](c2ccccc2)O1,CHEMBL196232
+COCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CC(F)(F)C[C@@H]21,bindingdb_1157649
+Cc1ccccc1NC(=O)CN(Cc1ccc(OC(C)(C)C(=O)O)cc1)Cc1ccco1,CHEMBL1084319
+CO[C@H]1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C[C@@H]1O,bindingdb_648941
+CCOC(=O)c1c(O)cc(O)cc1O,CHEMBL2204435
+Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21,CHEMBL195371
+CC(=O)N1CC[C@@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,CHEMBL4106477
+CCc1cc(NC(C)(C)CC(F)(F)F)ncc1-c1c(Cl)c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nn1CC,bindingdb_1182635
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263765
+O=C1C(c2ccc(O)cc2)=C(O)c2ccc(O)cc21,CHEMBL192325
+O=C(O)c1ccc(-c2noc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CO4)n2)cc1,bindingdb_1019060
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCCC(O)C3)c1Cl)n2C,bindingdb_648419
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)c3c(Cl)cccc32)cc1,bindingdb_206226
+CC(C)[C@@H](C)[C@H]1O[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4097209
+Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484726
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)CCO2)c1c(F)cccc1Cl,bindingdb_998128
+COc1nc2ccc([C@@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_654485
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cncc(-c5ccc6[nH]c(=O)oc6c5)c4)(CC2)CC3)no1,bindingdb_1017594
+COc1ccc(C(=O)Nc2cccc(Oc3ccc(O)cc3)c2)cc1,CHEMBL4171502
+CCCCc1nc2c(C)cc(C)nc2n1C1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21,CHEMBL414836
+CC(=O)N[C@@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C)c2)C1,bindingdb_998182
+CN(C)C(=O)c1ccc2c(c1)c(Sc1cccc(Cl)c1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3938989
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3cccc(C(C)C)c3)cc12,CHEMBL3695903
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)O)c1,CHEMBL474157
+CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL3780894
+Cc1c(C(O)(CC(C)(C)C)C(F)(F)F)ccc(C#N)c1Cl,CHEMBL3818688
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCN(C(=O)C(F)(F)F)CC3)C2=O)cc(OC)c1,CHEMBL2407650
+COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1,bindingdb_961328
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cn(C(F)F)nc1OCCO)C[C@H](CNC(=O)C(C)(N)C(F)(F)F)O2)C(F)(F)F,bindingdb_645703
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_403202
+CCCc1cc(-c2nc(C)c(C(=O)N(C)C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,bindingdb_988730
+Cc1nc(C(F)(F)F)ccc1[C@@H](C)N1Cc2sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)nc2[C@@H]1C(C)C,bindingdb_270619
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(-c5ccccc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263733
+Cc1c(C(O)(C#CC2CC2)C(F)(F)F)ccc(C#N)c1Cl,CHEMBL3818069
+Cc1cc(OCC(=O)N2CCC(O)CC2)c2c(C)cc(=O)oc2c1,bindingdb_292631
+CCCC[Si]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3586250
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(C2CC2)n1,bindingdb_652638
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018728
+CCCOC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,bindingdb_1174226
+Oc1ccc2c(c1)CCCC(c1ccncc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401472
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](F)C1,bindingdb_988999
+COC(=O)c1ccc2ccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)cc2c1,bindingdb_109231
+C=CCN1C=CC(=C/C=C(/C#N)C(=O)OCC)C=C1,bindingdb_112206
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C(=O)C(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183797
+Cn1c(C(=O)c2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ncc(C(F)(F)F)cc21,bindingdb_648213
+CSc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL422444
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCN3CCCC3)C2)cc1,CHEMBL273143
+OCCn1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21,CHEMBL225081
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)OC2(CC2)C3)nc1,bindingdb_127161
+CCCCCOC(=O)c1ccc(Nc2ccccc2C(=O)O)cc1,bindingdb_476046
+C=CC[C@@]12CC[C@](O)(C#CC)C[C@H]1CCc1cc(O)ccc12,CHEMBL470785
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)CCl)O2)C(F)(F)F,bindingdb_650920
+O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)C3CC=CCC3C2=O)CC1,CHEMBL1495161
+COc1ccc(N2C(=O)c3ccc(O)cc3C2=O)cc1,CHEMBL234527
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(OC)CCOCC3)c(S(C)(=N)=O)c2)cc1,bindingdb_653231
+Cc1c([C@H](C)NC(=O)Cc2c(-c3ccccc3)[nH]c3ccccc23)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL240438
+Cc1ccsc1CN=Nc1nc2ccccc2s1,bindingdb_672610
+CCN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,bindingdb_168501
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(Cl)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263899
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C2CC2)cc1C(F)(F)F,bindingdb_1183259
+Cc1noc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc12,CHEMBL375373
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccoc4)cc3)ccc21,bindingdb_988952
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)C3CCS(=O)(=O)CC3)C2)ccc1F,bindingdb_645759
+COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OC,CHEMBL1536484
+CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1,CHEMBL1350069
+Brc1ccccc1C1NC(c2ccccc2)=NO1,bindingdb_999628
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(C(N)=O)c1,CHEMBL3358939
+CC(C)CNc1nc(CCc2ccccc2)cc(N(C)CC(C)C)n1,CHEMBL492875
+CCCN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL437801
+Cc1ccc(-c2nnc(S)n2/N=C/C=C\c2ccccc2[N+](=O)[O-])cc1,CHEMBL3208556
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(F)c(F)cc3F)cc12,CHEMBL3699428
+Fc1ccc(C2c3nnnn3CCN2Cc2ccccc2)cc1,bindingdb_650218
+CC1(C)Nc2c(cc(-c3cccn4cnnc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582123
+Cc1ccc2c(c1)N=C(c1ccccc1)CC(C(Cl)Cl)=N2,bindingdb_999757
+CO[C@H]1C[C@@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N(C)C1=O,bindingdb_647859
+O[C@@H]1[C@H](O)CS[C@H]1n1cnc2c(NCc3ccccc3Cl)nc(Cl)nc21,CHEMBL227279
+CC1(C)C(=O)N(c2ccc(C#N)c(F)c2)C(=S)N1c1ccc(CNC(=O)c2ccccn2)c(F)c1,bindingdb_18551
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2c(Cl)cc(Cl)cc21,bindingdb_206706
+O=CC1=C(Sc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4,CHEMBL572155
+Oc1ccc(-c2cc3ccc(O)cc3s2)cc1,CHEMBL431698
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(Oc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1,bindingdb_206299
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)Nc4ccc(Cl)cc4)cc3)C[C@@]21C,CHEMBL449900
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(Cl)cc3)cc21,CHEMBL200045
+NS(=O)(=O)c1cccc(N2CCN(CC3CCN(CC(F)(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_1131024
+CC1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C,CHEMBL2419309
+Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1,CHEMBL1085109
+COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2-c1ccccc1,bindingdb_18626
+CNCC(O)c1ccc(O)c(O)c1,bindingdb_55642
+CN(C)c1ccc2c(c1)OC(=N)C(C#N)C2c1cccc(F)c1,bindingdb_584352
+CCOc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1,bindingdb_112111
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC(C)C)oc2C)c1)C(=O)O,CHEMBL438088
+Fc1ccc(C(F)(F)F)c(CNc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)c1,CHEMBL551584
+CCCCCCc1ccc(C(=O)CCN2CCC(C(=O)OC)CC2)cc1,bindingdb_481739
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3695761
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(F)cc1Cl)CCS2,bindingdb_403849
+O=C(Nn1cc([N+](=O)[O-])cn1)c1cccc(COc2ccc(Br)cc2)c1,CHEMBL2064742
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(NC6(c7ccc(N)cc7)CC6)nc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_402961
+CCOC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130845
+CCC(CC)COc1c(Br)cc(CCC(=O)O)cc1Br,bindingdb_481654
+CCC(Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O,CHEMBL3764102
+C[C@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL4077898
+C[C@@H](O)[C@H](CO)NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_649950
+CNC(=O)c1ccccc1C(C)(C)CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F,CHEMBL3358943
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(OCCNCCCF)c2F)N1CC(F)F,bindingdb_402143
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)ccnc3c2)cc1,CHEMBL1672449
+COC(=O)C(Cc1ccccc1)OC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1,bindingdb_988752
+O=C(CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CC[C@H](O)CC1,bindingdb_655016
+COC[C@H](C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2C[C@H]1C,CHEMBL3774737
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4N)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019126
+CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1,bindingdb_487602
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4ccc(C(C)C(=O)OC)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018476
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3cccnc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264923
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CCO1)O2)C(F)(F)F,bindingdb_647434
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3CC2CCN(c3ncc(F)cn3)CC2)cc1,bindingdb_270973
+COc1cc(Cl)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356216
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C(C)(C)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645681
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1cc(C(F)(F)F)ccn1)O2,bindingdb_650341
+COc1ccc(CCc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC,CHEMBL572488
+Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)O,CHEMBL383313
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017932
+CCCCSc1ccc(C#N)c(OC)c1,CHEMBL455566
+COc1cccc(OC)c1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL469333
+Cc1nc(CN(C)C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)cs1,bindingdb_650766
+Cc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL393593
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(C[C@H]3CC[C@H](C(F)(F)F)CC3)C3CCC3)c2F)[C@H](O)C1,bindingdb_651430
+CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)O,CHEMBL229837
+CCCc1c(-c2ccccc2)[nH]c2ccc(CC(=O)O)cc12,CHEMBL268513
+CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl,bindingdb_539895
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3C#N)c(F)c2)CC1,bindingdb_654840
+CS(=O)(=O)c1cccc(N2CCN(CC3CCCOC3)[C@@H](c3ccccc3)C2)c1,bindingdb_107859
+CN(C)S(=O)(=O)NC(=O)c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1,bindingdb_1018088
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCO4)cc21,CHEMBL4301239
+O=C(Nc1cccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)c1)c1ccccc1Cl,CHEMBL386087
+CCN1C=N[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl,CHEMBL174256
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C2CC2)cc1C(F)F,bindingdb_1183475
+COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081046
+Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2oc3c(c12)CCCC3,CHEMBL3193600
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C(=O)O)ccc2F)cc1,CHEMBL3335658
+NC(=O)c1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846218
+Cc1nc2cc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)ccc2s1,bindingdb_1017622
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccc(OC)cc3)ccc12,CHEMBL506730
+Cc1nn(Cc2ccnn2C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168439
+CN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1,CHEMBL2070239
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc(-c4nnn(C)n4)cc2)[C@H]3C(C)C)cc1,bindingdb_270912
+Cc1nc(C)c(C(=O)NN=Cc2c[nH]c3ccccc23)s1,bindingdb_91268
+C/C=C/c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12,bindingdb_1044798
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(=O)O)c2)cc1,CHEMBL185265
+Cc1cc(C)c(S(=O)(=O)NC(C)CS(=O)(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1,CHEMBL3261422
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3c2CCCC3)c(F)c1,CHEMBL3596276
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C[C@@H](O)C(N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647165
+CC(C)(N)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_653464
+COc1nc2ccc([C@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C,bindingdb_651481
+O=C(O)c1ccc(-n2nc(Sc3c(Cl)cccc3Cl)c3cc(C(=O)N4CCOCC4)ccc32)cc1,CHEMBL3950318
+CCOC(=O)Cc1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_1127641
+COC(=O)c1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1,CHEMBL4211975
+CS(=O)(=O)c1cccc(Oc2cccc(-n3c(C4CC4)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL595011
+Cc1nocc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_402259
+CC1CCc2c([nH]c3ccc(Cl)c(Cl)c23)C1(O)C(F)(F)F,CHEMBL3682519
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)CC(F)(F)F)cc1C(F)F,bindingdb_1184140
+NC1=NC(=NNc2nc(-c3ccc(F)cc3)cs2)c2ccccc21,bindingdb_672630
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(c3ccccc3)C(F)(F)F)ccc2O1,bindingdb_646469
+C[C@](O)(COc1ccc(Cl)cc1Cl)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3233071
+CC(C)Oc1ccc(C2c3nnnn3CCN2CC2CCCCC2)cc1,bindingdb_652688
+CCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1C(C)C,CHEMBL247993
+CC[C@H]1c2ccc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271207
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(-c3ccccc3)o2)C1=O,CHEMBL3234846
+C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,DB01108
+Cc1c(-c2ccc(Cl)cc2)cccc1N(CC1CC1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760408
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2F)C3)cc2ccccc21,bindingdb_1000254
+Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4237675
+CC=CC(=O)c1ccc(CCCCCCC)cc1,bindingdb_481794
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3Cl)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105675
+Cc1cc(C)c(S(=O)(=O)NC(COc2ccccc2)C(F)(F)F)c(C)c1,CHEMBL3093459
+CC(C)(O)c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)cc1,bindingdb_124682
+CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)C)cc1,CHEMBL120210
+O=C(O)CCc1ccccc1OCC1C(Br)CCCC1Br,CHEMBL217298
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651478
+COc1ccc(/C=C/c2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)cc1OC,CHEMBL574311
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(F)cc3F)c(F)c2)CC1,bindingdb_654727
+O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1,bindingdb_1000258
+Fc1ccc(-n2ncc3cc(-c4ccccc4)ccc32)cc1,CHEMBL1083253
+O=C(O)[C@@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)C[C@H]1O,bindingdb_647167
+O=C(c1cccc2ccccc12)N1Cc2ccccc2CC1CNCc1ccccc1,CHEMBL2030069
+Oc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1,CHEMBL200799
+Oc1ccc([C@@H]2CCc3cc(O)ccc3O2)cc1,CHEMBL234460
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_401243
+CCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12,CHEMBL3403710
+CC(C)(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC1CC2CCC(C1)N2c1nc2c(F)cc(C(=O)O)cc2s1,bindingdb_1017583
+O=C(NS(=O)(=O)[C@@H]1CCC[C@H]1O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018120
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCC2)c(OC(F)(F)F)c1)C(F)(F)F,bindingdb_651451
+CN1C(=S)C2(CCCCC2)c2cc(-c3cccc(Cl)c3)ccc21,CHEMBL25182
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Cl)cc2)cc1,CHEMBL3991287
+CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCN3CCOCC3)ccc12,bindingdb_1752
+Oc1ccc(-c2cc(Cl)c3c(Cl)c(O)ccc3c2)cc1,CHEMBL192876
+CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C,bindingdb_539958
+Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4098867
+CCCC12CCC(=O)C(CC)=C1c1ccc3[nH]nnc3c1C2,CHEMBL213529
+CCOC(=O)[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)OCC,CHEMBL254054
+CCc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL239352
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccs2)no1,CHEMBL1488696
+Cc1ccn(-c2cccc(-n3ccc(C)n3)n2)n1,bindingdb_1000209
+O=C(O)CCc1ccc(OCCN(Cc2ccc(C(F)(F)F)cc2)c2nc3ccccc3s2)cc1,CHEMBL247508
+Cc1cc(OCC(=O)O)cc2cc(C)n(Cc3ccc(O)c(C(C)C)c3)c12,CHEMBL3397338
+CS(=O)(=O)CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651303
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C4(C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263821
+COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(F)cc4)oc3C)cc2OC1=O,CHEMBL443910
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCN(C(=O)C(C)(C)C)CC4)c(C#N)c3)c(C(F)(F)F)c2)cc1,CHEMBL4163533
+CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2ccn(CC(=O)O)c2c1,CHEMBL202140
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CC4(CN(C(C)=O)C4)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55004
+CC(C)(Oc1cccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)c1)C(=O)O,CHEMBL489769
+CCOC[C@H](NC(=O)c1cnc2c(c1)CN(C[C@H]1CC[C@H](C(F)(F)F)CC1)[C@H]2C(C)C)c1ccc(S(=O)(=O)CC)cc1,bindingdb_270857
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2c(OCCCN3CCCCC3)cccc12,CHEMBL238959
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(F)cc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL232219
+O=C(NS(=O)(=O)C1CCOCC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018050
+Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1C,bindingdb_91234
+C=CCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)c(C)c1,CHEMBL461145
+O=C(N(CC12CCC(c3ccc(C(F)(F)F)cn3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)nc2)c1)C12CC(F)(C1)C2,bindingdb_1017892
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(Cl)c1Cl,bindingdb_403701
+CCCc1nc2cc(-c3ccccc3Cl)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4078402
+CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL1825106
+O=[N+]([O-])c1cccnc1NCCNc1ncc(C(F)(F)F)cc1Cl,bindingdb_1000259
+O=C(Nc1ccccc1NC(=O)NC1CCCCC1)NC1CCCCC1,bindingdb_584474
+CC1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1,bindingdb_672662
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccncc4)cn3)C2=S)ccc(C#N)c1Cl,bindingdb_511799
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3Cl)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087290
+CN/C(=C\C=N)CNC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C,bindingdb_123961
+CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CHEMBL381544
+O=C(N1CCC(c2c[nH]cn2)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645255
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1518374
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(CNS(=O)(=O)C(F)(F)F)cc1,CHEMBL253520
+O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2,CHEMBL4073649
+CC(C)OCCCNc1ncnc2c1[nH]c1ccc(F)cc12,bindingdb_584154
+CCc1cccc2c(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c[nH]c12,bindingdb_55613
+Cc1ccc(N2C(=O)c3ccccc3C2O)nc1,bindingdb_760614
+Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cccc(C)n3)C2)c1,CHEMBL4089006
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)Cc4nc5cccc(C(=O)O)c5[nH]4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018684
+CCS(=O)(=O)N1CCC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_1127586
+O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12,CHEMBL395308
+COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12,CHEMBL4288574
+COCCn1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C,bindingdb_760358
+Cc1cc(CNC(=O)c2cc(-c3ccc(CC(C)C)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL454678
+C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL440283
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(N(C)C)c1,CHEMBL552742
+CCC1(CC(O)(CNC(=O)c2cnn(-c3ccc(F)cc3)c2N)C(F)(F)F)CCCc2ccccc21,CHEMBL237973
+CO[C@H]1CCN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C1,bindingdb_646822
+Cn1nc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O,bindingdb_760267
+Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1C,CHEMBL1546750
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccs2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146584
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)N(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019065
+Cc1cc2c(c(C(C)(C)CC(O)(Cc3cc4ccccc4[nH]3)C(F)(F)F)c1)OCC2,CHEMBL1911657
+COc1cc(C(=O)O)ccc1OCC12CCC(/C=C/c3c(-c4c(Cl)cncc4Cl)noc3C3CC3)(CC1)CC2,bindingdb_1018870
+N#Cc1cccc(-c2ccc3c(-c4ccc(C(=O)O)cc4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)c1,bindingdb_55093
+O=C(O)Cc1cccc2c(NCc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)cccc12,CHEMBL253731
+CC(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4174418
+CCC#CCOc1cc(CNc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL503066
+CCO[C@@H](Cc1ccc(OC/C=C/C#Cc2cccc(C#C/C=C/COc3ccc(C[C@H](OCC)C(=O)O)cc3)c2)cc1)C(=O)O,CHEMBL345009
+CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(SC(F)(F)F)cc3Cl)ccc2O1,CHEMBL425725
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(=O)[nH]c1,bindingdb_25295
+CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1,bindingdb_1000127
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)s2)[C@H](C)O)c(C)c1Cl,CHEMBL3640845
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361050
+Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4059888
+Cc1noc(C)c1C#CC(O)(c1ccc(N(CC(C)C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,CHEMBL2070363
+O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651922
+Cn1ncc(Cl)c1C(=O)Nc1ccc2c(c1)CCC2,bindingdb_55601
+Oc1ccc(-c2nc3cc(O)c(Cl)cc3o2)cc1F,CHEMBL362793
+CC[C@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672548
+CCC(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC,CHEMBL3233270
+O=C1CCC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N1,bindingdb_647710
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21,bindingdb_760525
+O=C(O)c1cc(F)c2nc(N3C[C@H]4C[C@@H]3C[C@@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018513
+O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,bindingdb_1004999
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccccc2C(F)(F)F)cc1,CHEMBL1081751
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL611466
+COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CC1,bindingdb_645409
+Cc1nn(Cc2cc(C)n(C)n2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168597
+Cc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NCc3ccco3)cc2c1,bindingdb_402344
+Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)O,CHEMBL1076163
+CCc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12,CHEMBL198679
+CC(C)c1onc([C@H]2C[C@@H]2c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL467906
+O=C(O)c1cccn2c(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cnc12,bindingdb_1017503
+CCCc1c(OCCCN(C=O)c2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12,CHEMBL210429
+COc1ccc([C@@H](Oc2ccc(C#N)c(Cl)c2)[C@H](C)NC(=O)C(C)(F)F)cn1,CHEMBL4214015
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3c(C#N)cc(C)cc23)C(F)(F)F)c(C)c1,CHEMBL3093453
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,DB01118
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL1082137
+CC(C)S(=O)(=O)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC(F)CC2)cn1,bindingdb_1183245
+CC[C@H](c1ccc(O)cn1)[C@@H](CC)c1ccc(O)cc1,CHEMBL556650
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C(F)(F)F)CC2)cc1C(F)(F)F,bindingdb_1184239
+O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nsnc2c1,bindingdb_1026165
+O=C(O)Cn1ccc2c(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cccc21,CHEMBL383132
+CC[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,CHEMBL367350
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@H](O)C1,bindingdb_649732
+Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1,CHEMBL31721
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4212746
+COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c1,CHEMBL1360615
+CC1=CC(C)(C)Nc2ccc(-c3ccc(C=O)s3)cc21,CHEMBL134786
+Nc1c(C(=O)NCC(O)(CN(CCO)C(=O)c2c(F)cccc2F)C(F)(F)F)cnn1-c1ccc(F)cc1,CHEMBL517933
+Cc1ccc(CSc2nc3ccncc3[nH]2)cc1,bindingdb_1000246
+CS(=O)(=O)Nc1ccc(-c2cncc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017474
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL81248
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCCc3ccccc3)cs2)cc1,CHEMBL4165060
+NC(=O)Cc1cnc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_655067
+COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cc1S(C)(=O)=O,bindingdb_999885
+CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCO[C@@H](C(=O)Nc4ccc(C#N)c(Cl)c4)C3)ccc21,6b33
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(F)c4)oc3C)ccc21,CHEMBL383789
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)S(=N)(=O)CN3CC2CCOCC2)cc1,bindingdb_54960
+CC(C)CN(Cc1ccc(N2CCN(C(=O)CC#N)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_648846
+Oc1ccc2c(c1)O[C@@H](c1ccc(OCCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087547
+CCC(C)/C=C/CC(=C/C(=O)O)/C=C/C1=C(C)CCCC1(C)C,CHEMBL75548
+CCCn1c(-c2ccc(O)cc2Cl)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL2179255
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(C)c(O)cc3OCC2)c(F)c1,bindingdb_403016
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cc(F)ccc1C(N)=O,CHEMBL2147570
+O=S(=O)(c1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCCC1,CHEMBL206738
+CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3CO)ccc21,CHEMBL4210099
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1,CHEMBL3814153
+CC(C)(Sc1nc2ccc(Cl)cc2s1)C(=O)O,CHEMBL575126
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)c3c(F)cccc32)cc1,bindingdb_649751
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,bindingdb_292571
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(C#N)cc2)cc1O,CHEMBL2031859
+Cc1ccc(-c2cn3cccc(C)c3n2)cc1,bindingdb_672439
+O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc(Br)c1,bindingdb_55631
+N#Cc1ccc(CC(=O)N2C[C@@H](Cc3ccccc3)[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)cc1,bindingdb_649292
+N#Cc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)c1,CHEMBL243999
+CCC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_1004719
+CCC(Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O,CHEMBL3765763
+CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1,bindingdb_69137
+Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1,CHEMBL3764690
+Oc1ccc2c(c1)SCCC(c1ccc3c(c1)OC(F)(F)O3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403041
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3cccc(O)c3)c1)CCC2,CHEMBL2312274
+C=Cc1cccc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL205989
+COc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)nc12,CHEMBL4076774
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(CN(C)C)cc2)C(=O)O)cc1,CHEMBL359150
+CC(C)(C)c1ccc(C(=O)Nc2cc(Br)ccc2C(=O)Nc2cccc(C(=O)O)c2)cc1,CHEMBL3335671
+C[C@@]1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCC(F)(F)CO1,bindingdb_646395
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nnccc2[nH]1)C(F)(F)F,CHEMBL3126950
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-],CHEMBL2348912
+NC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CC(=O)O)cc2)c1,bindingdb_58948
+Fc1ccc(C2=NOC3CCCC23)c(C(F)(F)F)c1,CHEMBL2159565
+C/C(=N\O)c1cc(-c2ccc(O)cc2)ccc1O,CHEMBL3409956
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C(F)(F)F)c4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652264
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL414845
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL4062724
+CCC(CC)(c1ccc(OCC(O)C23CC4CC(CC(C4)C2)C3)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1271259
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ncc(-c3cc(Cl)ccc3Cl)s2)cc1,CHEMBL3609384
+CC(C)CN(Cc1ccc(-c2ccc(C(N)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3263716
+CCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1OCCCn1ccc2c(OC(C)(C)C(=O)O)cccc21,CHEMBL446489
+Cc1cc(OC(F)(F)F)cc2ccn(C(=O)c3c(Cl)ccc(C(=O)N4CC5(CC(CC(=O)O)C5)C4)c3Cl)c12,bindingdb_206592
+Cc1cc(CN2CCN(Cc3ccncc3)[C@@H](CC(=O)O)C2)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_647000
+C=C1c2ccc(-c3ccc(C(=O)O)cc3)cc2C(=O)N(C)c2ccc(CC)cc21,CHEMBL2171827
+O=C1NCCc2cc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc21,bindingdb_1019098
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)CC1,bindingdb_646737
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@@H](C)c4ccc(C#N)cc4)CC2)OCC3)cc1,bindingdb_1111709
+Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCCC[C@@H]32)cc1,bindingdb_1050128
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCCCC3)C2)cc1,CHEMBL257462
+Oc1ccc([C@H]2Oc3cccc(O)c3[C@H]3CCC[C@H]32)cc1,CHEMBL234638
+CC(C)S(=O)(=O)NC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_649184
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc(C#N)c2)cc1,bindingdb_1127349
+CN(C)C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)c2cc(NC(=O)OC3CC4CCC3C4)ccc2O1,bindingdb_650742
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2Cc2ccccn2)c1Cl,bindingdb_168486
+CCO[C@@H](Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(=O)O,bindingdb_988861
+CC1(C)C(=O)Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL117187
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F,bindingdb_403860
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCC(C)CC3)cc2)c2ccc(O)cc12,CHEMBL3657151
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cccc3ccccc23)cc1,CHEMBL1080708
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C)cc1,bindingdb_270861
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccccc4OC(F)(F)F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018006
+CCOC(=O)Cc1cc(-c2ccc(O)cc2)nc2ccc3ccccc3c12,bindingdb_91258
+CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)O,CHEMBL575347
+Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,DB07425
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CC[C@@H](F)C4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054298
+CCNC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830788
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl,CHEMBL561975
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)c1-c1ccc(CC(C)C(F)(F)F)cc1OC,bindingdb_1183633
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183608
+Cc1cc(C(=O)NCCc2ccc(Cl)cc2)c(C)o1,bindingdb_69292
+FC(F)(F)[C@H]1CN(c2nc(-c3ccccc3)cs2)CCO1,CHEMBL3323477
+N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,CHEMBL233149
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(F)c(O)cc3OCC2)c(C)c1,bindingdb_401286
+CCOC(=O)c1cnc(N2CCN(c3ccc(-c4nnc(C)o4)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143199
+CCCCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C,CHEMBL2035070
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)c(F)c1,bindingdb_1018417
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H](CO)c1ccccc1,bindingdb_645504
+O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1,bindingdb_584211
+O=C(O)c1c(F)ccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)c1F,bindingdb_1018968
+CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL1402
+Cc1ccc(NC(=O)c2cc(-n3cc4ccc(C(=O)O)cc4n3)ccc2N2CCCCC2)cc1,CHEMBL3746821
+CCn1c(CCCc2ccc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264930
+COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1,bindingdb_55739
+Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(OC(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL208318
+O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1,CHEMBL4091374
+Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CCO)CC4)c3Cl)nc12,bindingdb_646634
+CC1CCN(C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)CC1,CHEMBL2070097
+CC(C)CN(C(=O)c1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,bindingdb_69070
+CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,CHEMBL4288964
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645264
+Cc1ccc(S(=O)(=O)NC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)cc1,bindingdb_649615
+Cc1ccc(-c2cc3c(cc2NC(=O)c2cnn4cccnc24)CN(C[C@@H](F)C(C)(C)O)C3=O)nc1,bindingdb_1127407
+CCOc1ccc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c1,CHEMBL2312128
+O=C(O)c1cc(F)c(-c2nn(Cc3cc(F)cc(C(F)(F)F)c3)c3cccc(F)c23)cc1O,bindingdb_650366
+Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)O)c2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,CHEMBL3335675
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12,CHEMBL3678153
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(C#N)CC1)O2)C(F)(F)F,bindingdb_648255
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)ccc1OC(C)(C)C(=O)O,CHEMBL393938
+Cc1cccc(C(=O)Oc2cccc3c(O)cccc23)c1,CHEMBL1327407
+OCCC1CCCC(c2ccc(O)cc2)CC1,CHEMBL4290019
+C=C1c2ccccc2C(=O)N(C)c2ccc(CCCCCCCCCCCC)cc21,CHEMBL2171914
+CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672545
+COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=N)=O)cc3)c(=O)n(C(C)C)c2n1,bindingdb_645193
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)nc1,bindingdb_1143204
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)C(F)(F)F)ccc2O1,bindingdb_645185
+CCCCCCC[C@H]1C(=O)C=C(I)[C@H]1OCCCCCC(=O)O,CHEMBL519854
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,CHEMBL396029
+CS(=O)(=O)N1CCC(Oc2ccc(N3CCN(Cc4ccc(F)cc4)S3(=O)=O)cc2)CC1,bindingdb_646221
+CC/C(C)=C1/Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL63015
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C(=O)O)c2)cc1,CHEMBL3609402
+COc1ncc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1,CHEMBL1080184
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)n1,bindingdb_402947
+Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(O)cc3)C[C@@H]1[S+]2[O-],CHEMBL2031528
+Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C#C[Si](C)(C)C,CHEMBL3909248
+CCCc1c(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2cc(C(=O)NC(CC)c3ccccc3)ccc2n1OC,CHEMBL3115239
+Clc1ccc(OCc2cc(-c3ccccc3)no2)c(Cl)c1,bindingdb_69236
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)c2c1,bindingdb_1183607
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Sc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_430636
+CCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1,CHEMBL1525366
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_647580
+Oc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403822
+CN1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21,bindingdb_953909
+CC1(C)C=C(CSCCc2ccccc2)c2cc(-c3cccc(O)c3Cl)ccc2N1,CHEMBL380646
+COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2)cc1,bindingdb_953883
+COc1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_654632
+CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270659
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(CC(F)(F)F)c(N3CCC3)c2c1,bindingdb_654965
+COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC(C)C)n1,bindingdb_584222
+COc1ccc(C2(CNC(=O)/C=C\c3ccco3)CCCC2)cc1OC,bindingdb_112241
+COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1,bindingdb_292654
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(S(C)(=O)=O)cc3)oc2C)ccc1F,CHEMBL3827709
+Cc1ccsc1C(=O)Nc1nccs1,CHEMBL1457096
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12,bindingdb_1005000
+Cn1cc(N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL519780
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183538
+[C-]#[N+]c1ccc(NC(c2nnc(-c3ccc(F)c(O)c3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640859
+Cc1cc(C(F)(F)F)cc2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)[nH]c12,bindingdb_647960
+Cc1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1131044
+COc1cc(-c2nc(C(F)(F)F)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,bindingdb_988811
+CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,CHEMBL81273
+O=C(Nc1cccc(O)c1)c1c(O)c2ccccc2[nH]c1=O,bindingdb_672405
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(C#N)cc1Br)c1cnc(C2CC2)nc1,CHEMBL4204466
+COc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccccc2)cc1,CHEMBL1080532
+COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NS(=O)(=O)C2CC2)c1,CHEMBL3897280
+O=C(c1ccccc1Cl)c1sccc1-c1ccnc(Cl)c1,CHEMBL4284644
+Nc1ccc(-c2ccc3c(c2)CC(c2ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C3)cn1,bindingdb_653981
+CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ccccc21,bindingdb_55073
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1,CHEMBL3990472
+COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2CCl)c1,bindingdb_356260
+COc1cccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)c1,bindingdb_55615
+CC(NC(=O)C(C)(C)O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652963
+FC(F)(F)c1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1,CHEMBL4116952
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CCC(C)(C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263642
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961357
+CCN(c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(C)C(C)=O,bindingdb_964767
+Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O,CHEMBL1630380
+Cc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(/C=C/c4cc(O)cc(O)c4)cc2)=C3c2ccc(O)cc2)cc1,CHEMBL4206798
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1,CHEMBL598609
+CCCCC(Sc1ccc(OCCCOc2ccc(C)c(C)c2)cc1)C(=O)O,CHEMBL561544
+CCCc1nc2cc(Br)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL1214745
+O=C(O)CC1COc2cc(OCCCOc3cccc(Cl)c3)ccc21,CHEMBL4276781
+CC(C)[C@@H]1CN(c2ccc(-c3ccc(C(F)(F)F)cc3)c(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_999613
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1080699
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)c(F)c1,bindingdb_646963
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264922
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CC(F)(F)C2)c2ccccc12)C(F)(F)F,CHEMBL4130137
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCC(=O)NO)nn1,bindingdb_476127
+Cc1cc(C)n2nc(-c3ccccc3)cc2n1,bindingdb_672379
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1,CHEMBL3335624
+Oc1ccc2c(c1)CCCC(c1ccc3occc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401848
+O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1,CHEMBL4298169
+C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=Nc1nccs1,bindingdb_526055
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL3666807
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1F)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_650869
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(=O)CC(F)(F)F,bindingdb_55101
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN(C(C)C)C(C)C)cc2)c2ccc(O)cc12,CHEMBL3657147
+O=C(O)c1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(F)(F)F)c1,bindingdb_1017830
+CCCC[C@@]12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL209269
+CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL214867
+CCOc1ccc(CN2CCn3nnnc3C2C2CCCCC2)cc1,bindingdb_646945
+Cc1cccc(S(=O)(=O)N2CC(CO)Cc3ncc(NC(=O)c4c(Cl)cccc4Cl)cc32)c1,bindingdb_998262
+CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN)c(C)c1,CHEMBL4173705
+CC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_648501
+CC1(C)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL491206
+CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204696
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H](C)C(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)(F)F,bindingdb_1184245
+O=C(O)c1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)cc1,CHEMBL218497
+COc1ccc2c(-n3c(=O)n(Cc4ccc([C@@]5(C)OC(=O)NC5=O)cc4)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1947139
+COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1,CHEMBL1572403
+CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12,CHEMBL210973
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)c(C)s2)cc1,CHEMBL3605077
+C=CCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1,bindingdb_953854
+Cc1ncc(CO)c(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)c1O,bindingdb_651157
+NC(=O)C1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1,CHEMBL184491
+CC(C)OC(Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O,CHEMBL307728
+CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O,CHEMBL3126946
+C(=NNC1=Nc2cccc3cccc1c23)c1ccccc1,bindingdb_672522
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1,CHEMBL3335659
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2(C(F)(F)F)CCC2)cc1C(F)F,bindingdb_1184407
+N#Cc1cc(F)cc(-c2ccc3nc(O)n(C4CCCCC4)c3c2)c1,CHEMBL191176
+C[C@H]1C=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC(O)C2)C3)CC[C@H]1C(=O)O,bindingdb_645591
+Cc1cccc(-c2ccc(C#N)c(C(F)(F)F)c2)c1,CHEMBL235601
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCN(C)CC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827633
+N#Cc1ccc(CC(=O)N2C[C@@H](Cc3ccccc3)[C@H](c3ccc(-c4c(F)cccc4F)cc3)C2)cc1,bindingdb_651769
+Cc1cccc(F)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_1018614
+O=C1C=C2CCc3cc(O)ccc3[C@@]2(Cc2ccccc2)CC1,CHEMBL310370
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCCCCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263848
+CCCCCCCCC/C=C\CCCCCCCNS(N)(=O)=O,CHEMBL374948
+CC(C)c1cccc(Oc2c(C(=O)O)n(-c3ccc(C(C)(C)C)cc3)c3cc(Cl)ccc23)c1,CHEMBL372639
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL304552
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)[C@@H](C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL2059270
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2O1,bindingdb_646844
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271121
+Oc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1,CHEMBL1084344
+C[C@H](Cn1ccc(-c2cc(F)c(C#N)c(F)c2)n1)NC(=O)c1csc(CC#N)n1,bindingdb_475672
+CCO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL360368
+O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(CN2C(=O)OC[C@H]2Cc2ccccc2)c1,CHEMBL3601091
+CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315058
+O=C(O)C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1F,CHEMBL1956363
+Cc1cc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1Cl,CHEMBL609901
+CC[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL521610
+O=S(=O)(NC1Cc2ccc(-c3cc4ccccc4[nH]3)cc2C1)c1ccccc1,bindingdb_107870
+CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1,CHEMBL1300705
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(O)nc1,bindingdb_649921
+CN(C)S(=O)(=O)NC(=O)Nc1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1,bindingdb_1017927
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccn(C[C@@H](O)C(F)(F)F)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652968
+COc1ccc(-c2noc(-c3ccccc3F)n2)cc1,bindingdb_672373
+CC[C@@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL183388
+O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CC2C[C@@H]3CC1C[C@H](C2)C3,bindingdb_69286
+CCCc1c(OCCCN2CCCc3c(OC(C)(C)C(=O)O)cccc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL448996
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC3CC3C(n3cnnc3)C2)cc1F,bindingdb_645733
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(-c3ccccc3)cc2)cc1,CHEMBL1079911
+Cc1c(O)ccc2c1OCCC(c1ccc3cc[nH]c3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402797
+Cc1nn(C(F)F)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)Cc2ncc(NC(=O)OCc3ccccc3)cc21,bindingdb_648125
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2nnc[nH]2)C1=O,CHEMBL2407868
+CCc1cc(CC(C)(C)C(F)(F)F)ncc1-c1c(Cl)c(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)nn1CC,bindingdb_1183548
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CCCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934313
+O=P(O)(CCO)OCCC#CC#CCCCCCC/C=C/I,CHEMBL3787648
+O=S(=O)(N=C(Sc1ccc(Cl)cc1)c1ccccc1)c1ccccc1,bindingdb_17651
+COc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1,bindingdb_1713
+COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1O,CHEMBL1558019
+Brc1cccc(CN2CCn3nnnc3C2c2cccc(Br)c2)c1,bindingdb_653415
+Fc1cnc(N2CCOCC2)nc1N1CCc2ccccc21,bindingdb_1005022
+O=C(O)Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12,CHEMBL3597403
+CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL188681
+[NH-]C(CCl)=[N+](N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1,bindingdb_481643
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2c(F)cccc2s1,bindingdb_1131057
+CN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21,bindingdb_112118
+C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1062482
+O=C(NC[C@H]1CC[C@H](Oc2ccnc3c(F)cccc23)CC1)c1ccon1,bindingdb_475790
+C/C(=C\C(=O)O)CCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL4215985
+CCOC(=O)c1cnc(SCc2ccccc2)nc1N,bindingdb_999959
+NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1,bindingdb_91231
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3ncccn3)C[C@@H]2C(=O)O)cc1,CHEMBL3398448
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OC,bindingdb_651773
+O=C(C1CCS(=O)(=O)C1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645660
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4cnccc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018818
+CC(C)(O)CNC(=O)c1ncc(CC2CCCCC2)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1,bindingdb_646407
+CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c(OC)c1,CHEMBL220681
+COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc1,bindingdb_760312
+Oc1ccc(-c2nc3cc(O)cc(/C=C\Br)c3o2)cc1,CHEMBL188900
+COc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2,CHEMBL3596278
+C=Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,bindingdb_961253
+CCONC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648862
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)[C@H](c3ccccc3)C2)c1,bindingdb_1000143
+COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,bindingdb_108551
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017480
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL567640
+CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2,CHEMBL422704
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(CN3CCOCC3=O)c1Cl)n2C,bindingdb_650536
+COCC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCC(C(=O)O)CC1,bindingdb_650589
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL592506
+CCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL376165
+CN(C)c1nc2ccc([C@](O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1,5ufr
+O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)c1,CHEMBL3393183
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Sc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_401931
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1,CHEMBL402100
+CC(CO)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965551
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn(CCC(F)(F)F)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645819
+O=C(O)c1ccc(-n2nc(Nc3c(Cl)cccc3Cl)c3ccccc32)cc1,CHEMBL3943864
+COCOC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL395558
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CSC1CCCC1)O2,bindingdb_647882
+CC(C)CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961377
+COc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1,CHEMBL4071074
+C=CC(=O)c1ccc(CCC)cc1,CHEMBL237822
+COCCOc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@H](C)C(C)(C)C)CC4)cn3C)c2C)cc1C#N,bindingdb_645408
+O=C(O)c1cc(F)cc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c1,bindingdb_1018092
+CCOc1c(Br)cc(CC(=O)O)cc1Br,bindingdb_481607
+CCCCOC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl,CHEMBL3211537
+CC(C)c1ccc(-n2cc(C(=O)c3ccccc3C(F)(F)F)nn2)cc1,CHEMBL2381475
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n(C3(C)CC3)c2=O)cc1,bindingdb_646464
+CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=O)O,CHEMBL551884
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OCC)cc21,CHEMBL383521
+Cc1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1,CHEMBL3695800
+Nc1c(C(=O)NCc2ccco2)sc2nc3c(cc12)C(=O)CCC3,CHEMBL1431996
+C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC)=C2c1ccccc1,CHEMBL4277194
+CCCCc1ccc(C#CC(O)(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070449
+CN(Cc1ccccc1OCCCCC(C)(C)C(=O)O)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL4212753
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)C=CC=CO2)cc1,CHEMBL2282519
+CCO[C@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O,CHEMBL2112052
+COc1cc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc(OC)c1,CHEMBL3623108
+Cc1cccc2c1c(Oc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3928131
+CCOC(=O)N1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1,CHEMBL1567315
+CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@@H](F)[C@@H]12,CHEMBL3326461
+Cc1ccccc1-n1c(-c2ccco2)n[nH]c1=S,bindingdb_112176
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ncc2ccccc2n1,CHEMBL1940549
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CC(C)(C)C(N)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651002
+O=C(O)c1ccc2nc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1,CHEMBL4084716
+Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)o1,bindingdb_953843
+COC1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(C)ccnc4N4CCC4)c3C2)C1,bindingdb_646086
+CC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(C)=O)C(C)=O,CHEMBL1459655
+Cc1ccc([N+](=O)[O-])c2c1C(N1CC(C)OC(C)C1)C(C)(C)O2,bindingdb_672606
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,CHEMBL125177
+C[C@H](NC(=O)CO)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(S(C)(=O)=O)cc1,CHEMBL3964502
+N#Cc1cc(O)c(Cl)c2ccc(-c3ccc(O)cc3)cc12,CHEMBL192218
+C/C(=C\CC/C(C)=C/Cc1occc1C)CC/C=C(\C)C(=O)O,CHEMBL494383
+CC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL390746
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_653425
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCC(C)=O)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022127
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2cn(CC)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_649598
+CC(C)c1cc(Oc2c(I)cc(OCP(=O)(O)O)cc2I)ccc1O,CHEMBL457528
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)C(=O)O,CHEMBL312791
+O=C(c1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL362425
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4ccc[nH]4)ccc32)cc1,CHEMBL198269
+CC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2)nc1C,CHEMBL1575283
+C[C@H](Nc1ccc([C@@H]2O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)O2)cn1)c1ccc(N)cc1,bindingdb_430664
+Cc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C,CHEMBL4224900
+N#Cc1cc(O)cc2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL192000
+Cc1cc(C)cc(N(Cc2ccc(O)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL481515
+CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1F,CHEMBL2203829
+CCCCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1091940
+CCC(=O)S(=O)(=O)[C@H]1CC[C@H](CNC(=O)c2nn(CC)c(-c3ccc(CC(C)(C)C(F)(F)F)cc3OC(F)F)c2Cl)CC1,bindingdb_1183836
+O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,CHEMBL226408
+C[C@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL194409
+CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2Cl)ccc1O,CHEMBL3613416
+Cc1cccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)c1,CHEMBL2381204
+CC[C@H]1CCCN1c1ccc(C#N)c2ccccc12,CHEMBL3402224
+Oc1c(CN2CCCCC2)cc(Br)c2cccnc12,bindingdb_68994
+C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1C#N,CHEMBL3261401
+O=C(O)Cc1ccc(OCc2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL374502
+C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccnc(Cl)c1,bindingdb_475752
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)C3C(F)(F)F)cc1,bindingdb_270779
+O=C(c1ccc(O)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1,CHEMBL3763189
+CC(C)=C/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL65690
+COC(=O)CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL4084142
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(C(=O)O)CCC1,bindingdb_401375
+CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2F)cc1,bindingdb_539950
+CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F,CHEMBL560797
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC)n1,bindingdb_650898
+CCn1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184016
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O,bindingdb_646424
+Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cc(C(N)=O)ccc4Cl)cc3)cccc21,CHEMBL3596640
+O=C(O)[C@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)C[C@@H]1O,bindingdb_648560
+CO/C=C\[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL380876
+Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1,CHEMBL479002
+CC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(O)cc3)cc2)no1,CHEMBL3957862
+C=C1C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,CHEMBL249700
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#N)c1C,CHEMBL522238
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(CC(C)F)CC3)c1Cl)n2C,bindingdb_206479
+N#Cc1ccc(CC(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)cc1,bindingdb_650716
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1F,bindingdb_401522
+COc1cccc(CC(=O)Nc2ccc3c(c2)c(=O)n(C)n3-c2ccc(C(C)(C)C)cc2)c1,bindingdb_672535
+COc1cc(-c2cccc(N(CC34CCC(c5ccc(C(C)(C)C#N)cc5)(CC3)OC4)C(=O)C3CCCC3)c2)ccn1,bindingdb_1018259
+CN(C)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645639
+O=C(c1ccc2nncn2c1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650004
+CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCCO3)C2=O,bindingdb_292545
+O=C(CNC(=O)c1ccco1)OCc1ccc(Cl)cc1,CHEMBL1481087
+Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1,CHEMBL61301
+CCO[C@H]1CC[C@H](CN2Cc3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)ccc3[C@@H]2C(C)C)CC1,bindingdb_271201
+C[C@@H](O)[C@@H](Nc1ccc(C#N)c2ccccc12)c1nnc(-c2ccc(C#N)cc2)o1,CHEMBL3640868
+COc1ccc(OCCNCCC(F)(F)F)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402720
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_403393
+Cc1noc(C)c1CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646204
+CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C,CHEMBL78704
+CCCCCCC1=C(c2ccccc2)[C@]2(OC(C)C)CCC[C@@H]2C1,CHEMBL1765928
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cc(C3CC3)ccc1F)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652040
+Cc1cc(SC(Cc2c3ccccc3cc3ccccc23)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035066
+N#Cc1cc(O)cc2ccc(-c3ccc(O)cc3)cc12,CHEMBL194762
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc([C@@H](C)O)c(C(F)(F)F)n1,bindingdb_1130850
+CC(C)[C@@H]1c2nn(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3978980
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(C)(C)OC[C@@H](O)CO)cc1F,bindingdb_650514
+CCC1(c2ccco2)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL501080
+CCNc1c(/C=N/O)ccc(-c2ccccc2)c1-c1ccccc1,CHEMBL128227
+CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O,CHEMBL148319
+Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C,CHEMBL3233282
+Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2C(C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,bindingdb_846283
+Oc1ccc2c(c1)CC1(C2)C(c2ccccc2)=Cc2ccccc21,CHEMBL439806
+Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL426154
+COc1ccc(OC)c(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1,bindingdb_69047
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,bindingdb_1143450
+Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2C(F)(F)F)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1003720
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4ccc(C(F)(F)F)nc4)CC2)OC(C)C3)nc1,bindingdb_1157708
+CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3CCO)ccc21,CHEMBL4202830
+CCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21,bindingdb_112073
+[C-]#[N+]C1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)F)CC1,bindingdb_649459
+CCC[C@]1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC[C@H](C(=O)O)CC1,bindingdb_649043
+COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c(Cl)nc2c1,bindingdb_1002127
+C[C@H](CCOc1ccc(CCC(=O)O)c(C(F)(F)F)c1)Oc1ccc(Cl)cc1Oc1ccccc1,CHEMBL213361
+C=C(COc1ccc(OC(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL512652
+C[C@]12CC[C@H]3[C@@H]([C@H](CCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL224736
+COc1cc(-c2nc3c(s2)CCCO3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL375427
+CCO[C@@H](Cc1ccc(OC/C=C/C#Cc2ccc(C#C/C=C/COc3ccc(C[C@H](OCC)C(=O)O)cc3)cc2)cc1)C(=O)O,CHEMBL147721
+COCCc1ccc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)cc1S(C)(=O)=O,bindingdb_1143323
+Cn1c([C@H](Cc2ccccc2)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)nc2ccc(C(=O)O)cc21,CHEMBL4075485
+COc1cc(C(=O)O)nc2ccc(OCC34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1017779
+Cc1ccc(Cl)c(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c1,CHEMBL3314011
+c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)nc1,bindingdb_760333
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640823
+O=C(CSc1nnnn1C1CC2CCC1C2)Nc1ccnc2ccccc12,bindingdb_584173
+CCCCn1c(=O)c2ccccc2c2ccccc21,CHEMBL1093016
+CC(C)Cc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL180019
+C[C@]1(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)CC[C@H](C(=O)O)CC1,bindingdb_646201
+O=C(Cc1ccc(-c2ccc(Cl)cc2)cc1)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1,CHEMBL253923
+CCc1cc(C(=O)O)cc2sc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)nc12,bindingdb_1017788
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1,CHEMBL1097194
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC(=O)N1CCOCC1,bindingdb_651499
+Cc1c(/N=C2\O[C@H](C(C)C)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,bindingdb_964791
+O=C([C@@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_650107
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182797
+COc1ccc(OC[C@@H](C)NCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_403452
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263903
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934477
+C#CCNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_645861
+O=C(O)COc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cn1,bindingdb_1017791
+O=C(Nc1cc(Br)ccc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,bindingdb_598241
+CC(C)OC(=O)C1CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL565729
+[C-]#[N+]c1ccc(N[C@H](CO)c2nnc(-c3ccccc3)o2)c(C)c1Cl,CHEMBL3640836
+CCCCCCC#CC1=CC(=O)[C@H](CCCCCCC)[C@H]1OCCCCCC(=O)O,CHEMBL485179
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6ccc(O)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_430599
+CC(=O)c1sc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)nc1C,CHEMBL241063
+CCCc1ccc(-c2oc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC)cc2)cc1,CHEMBL1079910
+CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Oc1cncc(Cl)c1,CHEMBL2331787
+CN(CC(O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1,CHEMBL1560559
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H]([C@H](C)NC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645240
+CCCNC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL500938
+C[C@@H]1CC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC[C@H]1C(=O)O,bindingdb_648869
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)[C@@H](F)C1,bindingdb_988801
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Oc2ccccc2)c1,CHEMBL377660
+COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650546
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)Cc1ccccc1,CHEMBL362392
+Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417720
+CC(C)[C@H]1c2ncc(C(=O)NCCC3CN(S(C)(=O)=O)C3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123875
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4[nH]ccc4c3)ccc21,CHEMBL221100
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccccc1Cl,CHEMBL4090691
+O=C(O)CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4218423
+COc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)ccc1F,CHEMBL313400
+COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc21,CHEMBL1299837
+CC(/C=C/c1ccoc1-c1cc(C(C)C)cc(C(C)C)c1OCCCF)=C\C(=O)O,CHEMBL335751
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CC1,bindingdb_1183562
+CC1(C)CCC(C)(C)c2cc(C/C=C/c3ccc(C(=O)O)cc3)ccc21,CHEMBL165843
+CC1=C(c2ccc(S(C)(=O)=O)cc2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4173984
+O=C(O)c1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1,bindingdb_649990
+CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1,CHEMBL4066332
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182664
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCN(C)C)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827870
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)(CC3)CC4)n2)n1,bindingdb_1018319
+COc1nc2ccc(C(O)(c3cccnc3)c3ccc(Cl)c(Cl)c3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183437
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CC(=O)c1cc(OC(=O)c3ccccc3)ccc12,CHEMBL3421891
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)cc12,bindingdb_18636
+COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2CF)c1,bindingdb_356286
+CCC12CCC(=O)C(C)=C1c1ccc3[nH]nc(Cl)c3c1C2,CHEMBL211837
+O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1,bindingdb_1016125
+Cc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1,CHEMBL1081756
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@H](C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)ccc1C(N)=O,bindingdb_999723
+CCCCSc1ncnc2c1ncn2C1CCCCO1,bindingdb_999780
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(C(C)C)cc3)n2)cc1)C(=O)O,CHEMBL80364
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1,bindingdb_1183934
+CN(C)c1cccc(N2CCc3cc(O)ccc3C2c2ccc(OCCN3CCCCC3)cc2)c1,CHEMBL434346
+CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)COc2ccc(Cl)c(Cl)c2)c1)C(=O)O,CHEMBL317424
+CCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL229778
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C#N)c1)C(F)(F)F,CHEMBL401219
+O=C(NCC1(O)CCOCC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652419
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1)C1CC1,bindingdb_1182803
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL2059267
+O=S(=O)(c1ccc(F)cc1)N1CCOc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL4212995
+CN1CCN(Cc2ccc(-c3cc4onc(-c5ccccc5)c4c(=O)n3C)cc2)CC1,CHEMBL393713
+COc1ccc(Cc2c(OC)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc3c2Cl)cc1,bindingdb_1183575
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)CC1,bindingdb_648749
+CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F,bindingdb_583999
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654850
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCN(C)CCCF)c2F)N1CC1(F)COC1,bindingdb_401515
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183990
+CCOc1c(F)cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_403405
+CCCc1c(OCCCN(CC)c2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12,CHEMBL208711
+Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL1169827
+O=c1[nH]c2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1,CHEMBL206773
+Cn1c(=O)c2c(ncn2CCCNC2=CC(=O)CC(C)(C)C2)n(C)c1=O,bindingdb_831196
+CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CCN(C(C)=O)CC2)c(C)c1,CHEMBL563032
+Oc1ccc2c(c1)[C@H]1CCC[C@H]1[C@@H](c1ccccc1)O2,CHEMBL397775
+CCN(CCCO)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_125922
+CCOC(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C,CHEMBL521251
+CCCCC12CCC(=O)C(c3ccco3)=C1c1ccc3[nH]nnc3c1C2,CHEMBL214200
+Cn1cncc1[C@@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(CC(F)(F)F)c(Cl)c2c1,bindingdb_652132
+CC1(C)CCC(C)(C)c2cc3c(cc21)Oc1ccccc1N=C3c1ccc(C(=O)O)cc1,CHEMBL334534
+CC1Cc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc2N1S(C)(=O)=O,bindingdb_539798
+CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,bindingdb_964762
+CCn1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)O)c(C)c2)cc1-c1ccc(C(C)(C)C)cc1,CHEMBL460278
+COc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(C(F)(F)F)ccc32)c1,CHEMBL4081907
+Cn1nccc1C(=O)NCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,bindingdb_475841
+C[C@@H]1[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_646225
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccccc1-3,CHEMBL335591
+COc1ccc(-c2nnc(SCC(=O)C(C#N)C(C)=N)o2)cc1,bindingdb_402543
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC4CCS(=O)(=O)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018514
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(NC4CC4)nc3)nc2Oc2c(F)cccc21,bindingdb_1054338
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc3ccccc23)c1,CHEMBL429823
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(CCCCC(=O)NO)cc1,CHEMBL4237922
+CS(=O)(=O)c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL505097
+C/C=C/C=C(\C)C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963511
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4NCC23)CC1,bindingdb_646456
+CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n(CC)c2n1,bindingdb_648843
+O=C(O)c1cnc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cn1,bindingdb_1017816
+C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475747
+CS(=O)(=O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2,bindingdb_1018762
+O=C(CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc5ccccc45)C2O3)cc1)NO,CHEMBL3589700
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](C(F)(F)F)N3CC(F)(F)F,CHEMBL257988
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Oc3ccccc3)c2)ccc1OC(C)(C)C(=O)O,CHEMBL237710
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cc(O)cc(OC(F)(F)F)c2)cc1,bindingdb_270955
+Cc1cc(CC(C)C)nc2c1nc(C(C)C)n2[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL1801741
+CN(CC(=O)N1Cc2ccccc2C1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349039
+Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2N2CCCC2)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1003706
+O=C(O)C1C2CC=CC2c2cc(Oc3ccccc3)cc3c2N1CC1CC=CC31,CHEMBL1489636
+COc1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1,bindingdb_69338
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(Oc3ccccc3)c1)O2,CHEMBL66582
+COC1CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)C1,bindingdb_647607
+O=C(NC1CCOCC1)[C@@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652769
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183271
+C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL472050
+Cc1cc2c(s1)c1cnn(CC(=O)NCCc3ccccc3)c(=O)c1n2C,CHEMBL1488651
+Fc1ccc(C2=NOC3CCCCCC23)c(C(F)(F)F)c1,CHEMBL2159544
+CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O,CHEMBL1967191
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21,CHEMBL220058
+CN(c1ccc(C(O)(c2nnc[nH]2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070351
+Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL521329
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C(F)(F)F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017777
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1,CHEMBL3335628
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(Cl)ccc3Cl)c(F)c2)CC1,bindingdb_649768
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cccc(C(F)(F)F)c2)cc1O,CHEMBL2031858
+CC[C@H](c1ccc(O)cn1)[C@@H](C)c1ccc(O)cc1,CHEMBL538148
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1C,CHEMBL539393
+O=c1c(-c2ccccc2)coc2ccccc12,DB12007
+C=C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(OC)nc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL407371
+N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL1743304
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(F)c1,CHEMBL206764
+Cc1cc(Cl)c(-c2noc(C3CC3)c2COc2ccc(C3(O)CN(c4ncc(C(=O)O)cc4F)C3)c(Cl)c2)c(Cl)c1,bindingdb_1017741
+O=c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c2ccccc12,CHEMBL3259994
+CS(=O)(=O)N1CCC([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270920
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4(CCC4)C3)cc2)cc1,CHEMBL185083
+CC1=CC(C)(C)Nc2ccc(-c3c(C)sc(C#N)c3C)cc21,CHEMBL334890
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1,CHEMBL1480378
+O=C(O)Cc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,CHEMBL195079
+N#Cc1ccccc1N1CCN(C(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)CC1,CHEMBL1434189
+Cn1c(=O)[nH]c(N2CCC(O)(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230461
+CCS(=O)(=O)c1ccc([C@H](COC(N)=O)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270666
+CC(C)(C)c1ccc(C(=O)NCc2ccc(SC(F)(F)F)cc2)cc1,CHEMBL4074393
+CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)c1)C(=O)O,CHEMBL202118
+CCN(C[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_651165
+Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(C)c2c(c1)NC(=O)CO2,CHEMBL1929042
+Cc1ccccc1N1CCN(C(=O)CSc2ccccc2)CC1,bindingdb_25311
+COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3cc(F)ccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042812
+CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,bindingdb_1004997
+Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,DB01067
+C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C,CHEMBL524063
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,DB01357
+Cc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1CCC(=O)O,CHEMBL39894
+CC(=O)N1CCC(n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_168540
+CC(C)OC(Cc1ccc(OCCc2noc(-c3cccc(Cl)c3)n2)cc1)C(=O)O,CHEMBL78442
+CC1(c2nc(C34CCC(CN(C(=O)C56CC(F)(C5)C6)c5cccc(-c6cnc(C7CC7)nc6)c5)(CC3)CC4)no2)CC1,bindingdb_1018040
+CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCCC3,CHEMBL572148
+C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)O,CHEMBL583796
+Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3C[C@H](C(F)(F)F)C[C@@H]32)cc1,CHEMBL235829
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CO2)[C@H]3C(C)C)cc1,bindingdb_271077
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018536
+CCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,bindingdb_539899
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652412
+COc1ccc(C(=O)Nc2ccc(C)c(Oc3ccc(O)cc3)c2)cc1,CHEMBL4173107
+CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,CHEMBL464982
+CC(C)Oc1cccc(-c2cc(C(=O)NN3CCOCC3)c3ccccc3n2)c1,bindingdb_1784
+O=C(N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccnc1,bindingdb_650078
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1C[C@H](C)C(=O)O,bindingdb_401606
+COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_168480
+CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1170
+CCCc1[nH]c2cc(C(=O)NC(CC)c3ccccc3)ccc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3115238
+O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1ccc2c(c1)OCCO2,bindingdb_292613
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1coc(CO)n1,bindingdb_652377
+Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1,bindingdb_417713
+CC(C)Oc1cc(CCC(=O)NS(=O)(=O)c2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1,CHEMBL1933827
+CCc1n[nH]c2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,CHEMBL1568150
+O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2s1,bindingdb_760357
+CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3ccccc3oc2=O)cc1,CHEMBL4210383
+Cc1c(Cl)cnc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c1Cl,CHEMBL1342851
+N#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL186513
+CS(=O)(=O)c1cccc(Oc2cccc(-n3c(Cc4ccc(F)cc4)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL594062
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2cnc(NC3CN(CCCF)C3)cn2)N1CC1(F)CC1,bindingdb_401034
+COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC,CHEMBL592652
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(OCCO)cc3)c(Cl)c12,bindingdb_18666
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(F)c1,bindingdb_401650
+COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CCCCC3)ccc12,CHEMBL1325233
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1cnc2ccccc2n1,CHEMBL1940692
+O=S(=O)(N1CCc2cc(O)ccc2C1)C(F)(F)F,CHEMBL1615276
+O=C(O)c1ccccc1Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1,bindingdb_476075
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3ccccc3C(F)(F)F)noc2C2CC2)cc1,bindingdb_1017838
+CC(C)c1nc(-c2cccc(N(CC34CCC(c5cc(C6CC6)n(C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1,bindingdb_1017508
+COc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1,bindingdb_961221
+Cn1ccc2cccc(COc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)c21,CHEMBL551248
+CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1,CHEMBL153405
+C[N+](C)=c1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)cc1,bindingdb_539823
+Cc1nc(-c2ccc(OS(C)(=O)=O)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL220751
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1,CHEMBL2070458
+CC(/C=C/C=C(\C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)O,DB05785
+Cc1cc(OCc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)O,CHEMBL1075772
+O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1,CHEMBL3263236
+Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCC3)c(Br)c2)cc1,CHEMBL123025
+CC(C)c1cc(Oc2c(Br)cc(CC3NC(=O)NC3=O)cc2Br)ccc1O,CHEMBL263631
+O=C(N1CCNC2CS(=O)(=O)CC21)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648066
+Oc1ccc2c(c1)SCCC(c1ccc(Cl)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401924
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(OP(=O)(O)O)cc3SC2)c(F)c1,bindingdb_17452
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1,bindingdb_404141
+C[C@]12CCC(=O)C=C1C1CC1[C@@H]1C2CC[C@@]2(C)C1C1CC1[C@@]21CCC(=O)C1,bindingdb_430601
+O=C(O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1,CHEMBL573015
+Cn1c(CNc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)cc2ccccc21,CHEMBL550847
+CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1Cl,CHEMBL3596619
+CCC(=O)c1sc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)nc1-c1ccccc1,CHEMBL3105807
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CC[C@@]4(CC3)CC4(F)F)[C@@H](c3ccccc3)C2)c1,bindingdb_1130879
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401558
+CNc1c(/C=N/O)ccc(-c2ccccc2)c1-c1ccccc1,CHEMBL130030
+Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12,bindingdb_760195
+C=Cc1cc(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL361871
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_653535
+Cc1ccc(C)c2sc(-c3nc(-c4ccc(C(=O)O)cc4)no3)nc12,bindingdb_965485
+O=C1C=C2CCN(Cc3ccccc3)CC2(Cc2ccccc2)CC1,CHEMBL247048
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1ccccn1)O2,bindingdb_651539
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3cccnc23)cc1O,CHEMBL3596279
+CCc1cc(CN2CC3(C2)CS(=O)(=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C,bindingdb_206424
+Oc1ccc(CN(c2ccc(O)cc2)c2ccc(F)cc2)cc1,CHEMBL3645268
+COc1ccc2sc(SC(C)(C)C(=O)O)nc2c1,CHEMBL575553
+Oc1ccc2nc(-c3cccc4ccccc34)oc2c1,CHEMBL188527
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6cccc(N)c6)cc5)O[C@@]4(C(=O)O)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417346
+C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1,CHEMBL470040
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CC2C)c(Cl)c1Cl,CHEMBL562251
+Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2)c1,bindingdb_649942
+CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1ccco1,CHEMBL1574743
+Cc1nn(C)c2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c12,bindingdb_168409
+COc1ccccc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1645394
+CC(C)C1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,bindingdb_124663
+NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,6gg8
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O,CHEMBL2407659
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1cccc(Br)c1,bindingdb_652946
+CC1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1,bindingdb_760562
+CNC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(C(C)C)n1,CHEMBL3598189
+CCOCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21,CHEMBL235386
+CCOc1cc(C)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220430
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183694
+Cc1ccc(NC(=O)CCc2nnc(-c3ccc(CC(C)C)cc3)n2C2CC2)c(C)c1,CHEMBL3774848
+N#Cc1c(NC(=O)CSc2ncccn2)oc(-c2ccccc2)c1-c1ccccc1,CHEMBL1548231
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC(C)(C)C(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183739
+C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC,CHEMBL69018
+O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL522936
+CN1CC=C(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)CC1,bindingdb_401450
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)CCC2=O)C(F)(F)F,bindingdb_647350
+O=C(O)c1cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(OC2CCCC2)n1,bindingdb_1017389
+COCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL231223
+N#CC1C(=N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12,bindingdb_584337
+Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F,CHEMBL3126949
+CCCCCCCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,CHEMBL489183
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL28
+O=C(O)CCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL4074391
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3CN(C)C)c(Cl)c2)cc1,CHEMBL3609394
+Cc1cc(C(Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)on1,CHEMBL603538
+CC1CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2n1Cc1ccccc1,CHEMBL4213826
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCOCC1,bindingdb_646470
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1,CHEMBL3902818
+CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(C2CC2)nn1Cc1ccc(C(F)(F)F)cc1Cl,CHEMBL1933845
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C(F)(F)F)C[C@@H]1C)cn2C,bindingdb_648146
+Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1,CHEMBL3195623
+COc1ccc([C@@H](Oc2ccc(C#N)cc2)[C@H](C)NC(=O)C(C)(F)F)cn1,CHEMBL4203771
+CC(/C=C/c1sccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)(F)F)=C\C(=O)O,CHEMBL132488
+CN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl,bindingdb_645070
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1,CHEMBL465919
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl,CHEMBL3640900
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4ccc(C#N)cc4)CC2)OC2(CC2)C3)cc1,bindingdb_122357
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)C(=O)O)cc1,CHEMBL64972
+CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(F)c1,CHEMBL2203832
+CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1,bindingdb_112264
+CC1(c2ccc(/C=C/c3cnc[nH]3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1,CHEMBL4103564
+CCc1nnc(N=C2NS(=O)(=O)c3ccccc32)s1,bindingdb_108547
+N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL28157
+C[C@]1(C(=O)O)CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_650830
+O=C(O)Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1,CHEMBL374078
+CC(CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1,bindingdb_1000098
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1,CHEMBL1580036
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)CC1,bindingdb_650179
+O=C(Cc1cnccn1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651735
+CCCCCCCCCc1ccc(O)cc1,CHEMBL153062
+COc1ccc(CCNC(=O)COC(=O)C23CC4CC(CC(Br)(C4)C2)C3)cc1,bindingdb_292562
+NC(=O)[C@H](CO)NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647799
+CCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL325221
+COc1nc2ccc([C@@](O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C,bindingdb_645680
+Cc1cc(C(F)(F)F)cc2c(C)n(Cc3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)nc12,bindingdb_206271
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(OC)cc2)c1)C(=O)O,CHEMBL521289
+CC(C)C1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3673671
+CC/C=C\c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB07678
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)s1,bindingdb_646762
+NS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC[C@H](C(F)(F)F)C3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1130708
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(C#N)cc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168577
+O=C(O)c1ccc(-c2nn(C(=O)c3c(C4CC4)ccc(F)c3Cl)c3c2CCC(C(=O)N2CC(N4CC(F)C4)C2)C3)c(F)c1,bindingdb_646723
+CC(NC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12)C12CC3CC(CC(C3)C1)C2,CHEMBL371990
+CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,CHEMBL4217256
+Cc1c(N2C(=O)O[C@H](C)[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,bindingdb_29790
+COc1ccc(OC)c(N2C(=O)[C@@H]3C(c4ccccc4Cl)=NO[C@@H]3C2=O)c1,CHEMBL1433062
+CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,DB08804
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)n1,bindingdb_1018955
+CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(Br)cc2c1OCC2,CHEMBL1911658
+COc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1,CHEMBL398815
+COC1CC(C(=O)N(CC23CCC(c4nc(C(C)(C)C)no4)(CC2)CC3)c2cccc(-c3nc(C4CC4)no3)c2)C1,bindingdb_1017415
+CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(C#N)cc2c1OCC2,CHEMBL1911659
+CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL4209482
+CCOc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1018704
+COc1cc(S(=O)(=O)N2C[C@H](CC(O)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646068
+Cc1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cnc1C(N)=O,bindingdb_1018146
+CC(O)(c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,CHEMBL242527
+Cc1ccc2c(Cl)c(C(=O)NC3CC3)sc2c1,bindingdb_69242
+CCN(CC)c1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1,CHEMBL250513
+C[C@]12CCC(=O)C=C1CCC1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,CHEMBL1092578
+CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1,bindingdb_403284
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2(F)CCC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271043
+Cc1ccc(N(CC(=O)Nc2ccc(C#N)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1,CHEMBL3797671
+CC1(C)CCC(C)(C)c2cc(C#Cc3cccc(-c4noc(=O)[nH]4)c3)ccc21,CHEMBL467748
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cnn(C)c4)ccc3[nH]2)C1=O,CHEMBL3578282
+CC(C)[C@H]1CN(c2ccc(CCO)c(S(C)(=O)=O)c2)CCN1C[C@H]1CCN(CC(F)(F)F)C1,bindingdb_1131069
+O=c1cc(-c2ccc(Cl)cc2)oc2cccc(F)c12,CHEMBL2386404
+CC(C)=C(C)c1ccc(-c2cnc(CCC(=O)O)o2)cc1,CHEMBL4163622
+Oc1ccc2c(c1)CC[C@H](C1CCOCC1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961345
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC,bindingdb_1183790
+CC/C(=C(\c1ccc2[nH]ncc2c1)c1ccc(/C=C/C(=O)O)cc1C)c1ccccc1,CHEMBL3581643
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263840
+CC1(C)OC(=S)Nc2ccc(NS(=O)(=O)c3cccs3)cc21,CHEMBL2181930
+CN(C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1)c1cnn(C)c1,bindingdb_649962
+Oc1cc2ccc1-c1ccccc1CCc1ccc(cc1)Oc1cccc(c1)CC2,CHEMBL411912
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccccc2)sc2ccccc12,CHEMBL1189544
+CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c(F)c1,CHEMBL3361040
+COC[C@H]1CN(C(=O)[C@]23C[C@H]2c2cc(OC)ccc2-c2c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n2C3)CCO1,CHEMBL3126849
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(CCC(=O)N(C)C)c4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651134
+CC(C)(O)CNC(=O)c1nc(CC2CCC(F)(F)CC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)s1,bindingdb_645306
+CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL497204
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL388997
+N#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12,CHEMBL363634
+COc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F,bindingdb_403295
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)CC(C)C)CC1)cn2C,CHEMBL4291794
+O=C(N1CCC2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_654294
+CCN(CC)c1nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c(Cl)c1Oc1ccccc1,bindingdb_1184210
+C#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL187937
+CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cc3)c(=O)n(C3(C)CC3)c2n1,bindingdb_645809
+CCC1(CC(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21,CHEMBL210077
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(C)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263900
+CN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348890
+CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1,CHEMBL3358949
+COc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1OC,CHEMBL4084092
+O=c1[nH]c(N2CCC(c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,CHEMBL396253
+O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Br,bindingdb_999618
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652065
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)cc1Cl)C(F)(F)F,CHEMBL235063
+Cc1c(O)cc(C)c2c1oc(=O)c1c(C)c(O)ccc12,CHEMBL205934
+CN(C)c1ccc(NC(=O)/C=C\C(=O)O)cc1,CHEMBL1392159
+O=c1cc(-c2ccc(F)cc2)oc2cccc(O)c12,CHEMBL2386393
+C[C@H](CCNC(=O)OCc1cccs1)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138428
+CCCCC1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL326092
+O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CCC1c1ccccc1,CHEMBL59146
+COc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL222248
+C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]21,CHEMBL3358035
+CC(=O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1,CHEMBL242291
+Fc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1,bindingdb_672480
+COc1ccc(CCNC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1,bindingdb_292608
+O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647268
+CC(C)(CCF)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4127189
+CC1(C)CC(N2CCCC2)=CC(=[N+]2CCCCC2)C1,bindingdb_539907
+C[C@@H](Cc1ncn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1)S(C)(=O)=O,bindingdb_651294
+c1ccc(C2=NN=C(NC3CC3)SC2)cc1,bindingdb_55552
+Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1,CHEMBL209595
+Cc1cc(O)ccc1-c1ccc2cc(O)ccc2c1,CHEMBL195389
+Cc1cnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(F)c1,CHEMBL4175461
+CCCCN(c1cccc(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760421
+Cc1cc2c(cc1Br)c(=O)oc1c(C)c(O)ccc12,CHEMBL202781
+CN(C(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1CC1,bindingdb_647247
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N[C@H](C)CCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018007
+Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL1940546
+Clc1ccccc1OCCn1cnc2ccccc21,bindingdb_1004954
+Fc1cccc(CN2CCn3nnnc3C2c2ccc(Cl)cc2)c1,bindingdb_649083
+CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3sc4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)O,CHEMBL401236
+C[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL391231
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCC4)nc21,CHEMBL4163093
+O=C(N1CCC2(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_646289
+C[C@H](C[C@H]1CN(S(=O)(=O)c2ccnc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648586
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(-c3ccc(Cl)c(Cl)c3)[nH]2)C1=O,CHEMBL3234853
+CCc1cc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)ccc1CCC(=O)O,bindingdb_1003736
+O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2cc(O)cc(O)c21,CHEMBL191836
+COC1CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)C1,bindingdb_651382
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2[nH]c(-c3cccc(C(=O)O)c3)cc2c1,CHEMBL558724
+Cc1nc(Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1,bindingdb_91247
+Cc1ncn(C)c1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647430
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(Cl)cc2)cc1O,CHEMBL2031953
+C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O,bindingdb_1018656
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5NCC34)(CC1)CC2,bindingdb_648040
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(OCC3CC3)c(Cl)c2c1,bindingdb_647416
+Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL137283
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F,CHEMBL391917
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2C1=O,bindingdb_1127426
+CSc1nc(Nc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1169685
+CN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,CHEMBL4164900
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CNCC(F)(F)F)O2)C(C)=CC(C)(C)N3,CHEMBL429466
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F,CHEMBL3358935
+CCCCN(Cc1cc(Cl)cc(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL493242
+CCC1=C2c3ccc4[nH]nnc4c3C[C@]2(CC)CCC1=O,CHEMBL385949
+Cc1ccccc1N1CCN(C(=O)CS(=O)(=O)Cc2c(C)noc2C)CC1,bindingdb_475695
+O=C(O)C1CN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1,bindingdb_54959
+C[C@@H](O)CNc1ncc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_648300
+Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2,CHEMBL407848
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@](C)=O)c2)cc1,bindingdb_653722
+Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1CCc1ccc(C(=O)O)cc1,CHEMBL4226844
+Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1,bindingdb_69313
+CCS(=O)(=O)c1ccc(CC(N)=O)cc1,CHEMBL4171447
+CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1,bindingdb_91221
+O=C([C@H]1CC[C@](F)(C(=O)O)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_646293
+O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(F)cc1,bindingdb_1684
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)cc(Cl)c1O,CHEMBL393201
+CCCCCCCN(CC(=O)O)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1,CHEMBL248530
+CC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590611
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1CCN1CCOCC1,CHEMBL4174736
+Cc1noc(C)c1-c1ccc([C@@H]2CN(C(=O)Cc3ccncc3)C[C@]2(C)c2ccc(F)cc2)cc1,bindingdb_652515
+C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL333745
+Cc1ccc(N=Nc2ccc(O)cc2)c(Br)c1,bindingdb_999728
+Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2ccc(F)c(F)c2)C3)c1,CHEMBL4067017
+CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1,bindingdb_17377
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCCCC2)C1=O,CHEMBL2407850
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(Br)cc(Br)c2)cc1)C(=O)O,CHEMBL245454
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@H]2COC[C@@H]2O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183363
+CN(c1ccc(C(C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL383657
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O,bindingdb_1127592
+CCCCCCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C,bindingdb_539889
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)O)cc1,CHEMBL288341
+O=C(O)Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757617
+COC1CN(C(=O)c2cnc(N3CCN(c4ccc(F)c(S(C)(=O)=O)c4)C[C@H]3C(C)C)nc2C(F)(F)F)C1,bindingdb_1131000
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1c(Cl)nc3sccn13)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651392
+CCCCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1080188
+CN(CCO)C(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4099302
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1cc(F)ccc1F,bindingdb_654518
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(CCc3ccccc3)C(F)(F)F)cc2)CCCC1,bindingdb_647846
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)C(=O)O,CHEMBL80905
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](C)Oc2ccc(N(C(=O)[O-])C(C)(C)C(F)(F)F)cc21,bindingdb_648963
+CCCc1c(OCCCn2cnc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12,CHEMBL210613
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4cnc(C(F)(F)F)nc4)CC2)O[C@H](C)C3)nc1,bindingdb_1157703
+O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)c1,CHEMBL3393181
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2024606
+CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,CHEMBL25462
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3(C)CC3)c2=O)cc1,bindingdb_647195
+O=C(c1ccco1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1,bindingdb_1004935
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc2ccncc2c1,bindingdb_511738
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCc4ccc(F)cc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018911
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2cccs2)cc1,CHEMBL189116
+O=C(Nc1ccccc1F)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,bindingdb_846246
+CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)c1,bindingdb_953830
+C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2cccc(F)c2)CO1,CHEMBL4064593
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ncc(OC(F)F)cn5)c4)(CC2)CC3)n1,bindingdb_1018798
+Cn1nc(C(=O)O)c2ccc(C3CC3c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)cc21,CHEMBL3824337
+CCOc1cccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)c1,CHEMBL2316563
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4cc[n+]([O-])cc4)c(Cl)c3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511820
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4128575
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3SC2)c(F)c1,bindingdb_17550
+O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccnc23)c(F)c1,bindingdb_652805
+C[C@@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O,CHEMBL335328
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3c2CCCC3)c(F)c1,bindingdb_646167
+CC[C@@H]1c2cc3c(C(F)(F)F)cc(=O)oc3cc2NC[C@H]1C,CHEMBL2112312
+CC(C)(C)OC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059560
+O=C(NCc1ccccn1)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1,bindingdb_40614
+Cc1noc(C)c1-c1ccc(C(=O)Nc2ccccc2)c2occc12,bindingdb_55543
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1OCC1CC1,bindingdb_54930
+CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C,bindingdb_1054258
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(Cl)c3OCC2)c(F)c1,bindingdb_402916
+CC1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL492228
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCNC(=O)C1CC1)O2,bindingdb_645369
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)CCc3ccccc3)cc12,CHEMBL3695850
+Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)sc2c1,CHEMBL226327
+O=C1C(=O)N(Cc2cccnc2)C(c2cccc(Br)c2)C1C(=O)c1ccc2c(c1)OCO2,bindingdb_953757
+COc1ccc(-c2noc(C3CC3)c2CO[C@@H]2C[C@@H]3C[C@H]2CN3c2nc3c(F)cc(C(=O)O)cc3s2)cc1,bindingdb_109250
+C1COCCO1.O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1ccccc1,CHEMBL1304031
+COC(=O)c1cnc(N2CCN(c3ccc(F)c(S(=O)(=O)c4ccc(OC)cc4)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130784
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)ccc(F)c3F)c3cccnc23)c(F)c1,bindingdb_648278
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2cccc(Cl)c2)C1=O,CHEMBL2407680
+Cc1nc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2C(C)C)ccc1C(F)(F)F,bindingdb_1143320
+Nc1cc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)ccc1C(=O)O,bindingdb_998240
+CCc1nn(C)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168393
+CCCNc1nc(SC)nc(SCc2ccccc2)c1C(=O)O,CHEMBL1172963
+CC(C)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648625
+O=C(COc1ncnc2ccccc12)c1ccc2c(c1)OCCO2,bindingdb_1004949
+O=C(O)Cc1ccc(-c2noc(C3CC3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL213877
+O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)OCCO,CHEMBL4079644
+Cc1cccc(CCc2ccnc(NC(N)=O)c2)c1,CHEMBL3643682
+CCC(O)(c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)c2ccccc2)cc1)C(F)(F)F,bindingdb_650329
+CCC(C)n1c(C[C@H]2CC[C@H](C(F)(F)F)CC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206294
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(F)c12,bindingdb_168537
+O=S(=O)(c1ccc(Br)s1)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL380305
+O=C(O)C(Cc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1,CHEMBL471851
+CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3C(=O)O[C@@H](O)[C@@H]3[C@@]12C,CHEMBL269105
+CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F,CHEMBL2178792
+CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334824
+Cc1cc(C)c(C(=O)NC(C)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL244966
+Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL327515
+N#Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C(=O)C5CCCC5)CC4)c3c2)c1,CHEMBL4283871
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnn(C2CCN(C(C)=O)C2)c1,bindingdb_654254
+O=C(C1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nnc(C3CC3)o2)c1,bindingdb_1018689
+Cc1c(C)n(C(C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3678147
+C=C1[C@H](O)CC(=C/C=C/C/C(C)=C/[C@@H](C)CCCC(C)(C)O)C[C@H]1O,CHEMBL456004
+O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL523395
+O=C(c1ccc(CO)cc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648702
+C[C@](O)(CS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL339333
+CCC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F,CHEMBL3819015
+CN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1,CHEMBL1350226
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(Cl)c1,bindingdb_403084
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54980
+CCCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1C,bindingdb_292580
+Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1,CHEMBL404515
+Cn1c(-c2ccco2)nc2cc3ccccc3cc21,bindingdb_69061
+Cc1ccc(C(O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1,CHEMBL186954
+Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OCC(=O)O,CHEMBL1080025
+C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1,CHEMBL467814
+CCC[C@@H]1CC[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,CHEMBL212992
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206263
+Cc1nnc(-c2nc(CC3CCCCC3)c(-c3ccc(S(=O)(=O)NC(C)(C)C)c4ccccc34)s2)o1,bindingdb_651947
+COC(=O)c1ccc(CSc2nc(O)c3cnn(-c4ccc(C)c(C)c4)c3n2)o1,CHEMBL1386105
+O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)NCCCCCO,CHEMBL4100247
+Cc1ccc(CNc2nc3ccccc3n3nnnc23)cc1,CHEMBL1343134
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)Cc1ccccn1,bindingdb_654040
+CCCCCCCN(C(=O)Nc1ccc(OC)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL250887
+C=CCC[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,bindingdb_33455
+CCOC(Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(=O)O,CHEMBL4072125
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C(C)C)ccc21,CHEMBL202087
+COc1ccc(CCNc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1OC,bindingdb_760319
+O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1,CHEMBL457272
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccccc12,CHEMBL238961
+COc1c(F)cc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403375
+C[C@H](CCCC(C)(C)O)C1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C4=CCCO[C@@H]4C3)CCC[C@]12C,CHEMBL392983
+Cc1cccc(CC(O)(CC(C)(C)c2cc(F)ccc2O)C(=O)Nc2ccc3c(c2)COC3=O)c1,CHEMBL193523
+OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@H](c3ccc(O)c(O)c3)C2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL2159607
+CCc1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O,CHEMBL485928
+CC(C)(C(=O)N[C@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12)N1CCOCC1,bindingdb_649778
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(O)(C(F)(F)F)C(F)(F)F)cc5OCC34)(CC1)CC2,bindingdb_648064
+COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,bindingdb_584259
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_206302
+Nc1cnn(C2OC(CO)C(O)C2O)c(=O)n1,bindingdb_69078
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2c(=O)[nH]1,CHEMBL2023621
+N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL1544
+C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL495990
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(CC(C)C)C(=O)O)cn1,CHEMBL222107
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(SC)c1,CHEMBL552106
+CC(C)(CO)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21,CHEMBL1684194
+Nc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4226071
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCOCC1,bindingdb_112078
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCC(F)(F)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263703
+COc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1,bindingdb_760233
+Cc1c(C)n(Cc2cc(Cl)cc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3678139
+C[C@](O)(Cn1ccc(C#N)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1062461
+CCCCC(Cc1ccc(OCCC2CCCCC2)c(OCCC2CCCCC2)c1)C(=O)O,CHEMBL1819481
+O=C(O)c1cc(F)c(-c2nn(Cc3ccc(F)cc3Cl)c3cccc(F)c23)cc1O,bindingdb_649999
+Cc1ccccc1C(=O)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1,CHEMBL182157
+CCCCCOc1cc2ccccc2cc1C(O)CCCCCCCC(=O)OC,CHEMBL198170
+C[C@]12CC[C@@H]3c4ccc(O)cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2O,bindingdb_1016153
+NC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652400
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCO)c2c1CCCC2,CHEMBL525989
+CCCCc1ccc(-c2nc(CCc3noc4cc(OC(C)(C)C(=O)O)ccc34)c(C(C)C)o2)cc1,CHEMBL1778836
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCCO)c2c1CCCC2,CHEMBL499312
+N#CCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401579
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(-c3ccccc3)ncc2[nH]1)C(F)(F)F,CHEMBL3126935
+O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1,CHEMBL1505283
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,CHEMBL846
+Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]1[S+]2[O-],CHEMBL2031529
+CCC[C@H](Oc1ccc2ccccc2c1)C(=O)O,CHEMBL366157
+Cc1nn(-c2ccccc2)c2sc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc12,CHEMBL1575187
+CCc1ccc2oc(-c3ccc(N)cc3)nc2c1,bindingdb_69310
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)N4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263846
+Cc1oc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nc1[C@H](O)C(F)(F)F,bindingdb_650336
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cc(OC)cc(OC)c3)oc2C)c1)C(=O)O,CHEMBL211839
+COc1cc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)ccc1F,CHEMBL1088257
+CO[C@@H]1C2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]2[C@@H]1O,CHEMBL3138054
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccc(F)cc3o2)c1)C(=O)O,CHEMBL248527
+C[C@@H]1C[C@@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O,CHEMBL1258004
+C[C@]12CC[C@H]3[C@@H]([C@H](C4CC4)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,bindingdb_430581
+COc1cccc(F)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,CHEMBL3962476
+Cc1ccc2c(C(Nc3ccc(OC(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1,CHEMBL3109600
+COc1cc(NC2CN(CCCF)C2)ncc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_402448
+CC(C)(C)OC(=O)N1CCN(c2ccc(C#CCCCC[C@@H]3Cc4cc(O)ccc4[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@H]34)cc2)CC1,CHEMBL2326075
+Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c1,CHEMBL1538223
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1017891
+Cc1cnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2ccc(F)c(F)c2)C3)s1,CHEMBL4069516
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2ccncc2)cc1,bindingdb_511770
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CCC(=O)c4ccc(O)cc4)CC[C@@H]23)C[C@H]1O,5xpl
+O=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl,bindingdb_999783
+CC(C)C[C@@H](NC(=O)COCCOCCNC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(N)=O,CHEMBL452456
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL437479
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(CCN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL602681
+CCOc1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018313
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1F,bindingdb_168467
+CS(=O)(=O)c1nc(-c2ccco2)cc(C(F)(F)F)n1,bindingdb_760359
+NC(=NNC=c1ccc(=C2C=CC(=O)C(C(=O)O)=C2)o1)N[N+](=O)[O-],bindingdb_526106
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)c2)cc1,CHEMBL1091218
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(F)CCS(=O)(=O)CC1,bindingdb_649721
+C[C@H]1C[C@@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O,CHEMBL482593
+Cc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)sc1C,CHEMBL220837
+Cc1oc(-c2ccccc2)nc1CC(=O)OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1,bindingdb_988841
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccc(F)cc3)c2)cc1,CHEMBL3109229
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(OC(F)F)n1,bindingdb_1130720
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_271023
+O=C(NCc1ccccc1Cn1cccc1C(=O)O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3,CHEMBL2180631
+Oc1ccc(C=Nc2ccc(N3CCOCC3)cc2)c(O)c1,bindingdb_830953
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)F,bindingdb_401394
+Oc1ccc2c(c1)SCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403009
+COc1ccc(/C=N/OCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC,bindingdb_539901
+COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1N1CCOCC1,bindingdb_69085
+CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,DB00849
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCC2)c2ccccc12)C(F)(F)F,bindingdb_651522
+CC(C)CN1[C@@H](c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CC1(C)C,CHEMBL3775116
+C[C@@H](NC(=O)c1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)nc1)c1nnco1,bindingdb_475757
+CCC1=C[C@@](CC)(C[C@H](/C=C/[C@H](C)O)CC)O/C1=C\C(=O)OC,CHEMBL2178583
+CCCCCCCCCCCC(=O)O,CHEMBL108766
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccccc2Cl)c1)C(=O)O,CHEMBL491627
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12,CHEMBL23296
+C[C@H](OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2)C(C)(C)C,bindingdb_645267
+COc1cccc(-c2nc3ccccc3c(=S)[nH]2)c1,CHEMBL3823873
+CCOC(=O)C1(C(C)=O)Cc2ccc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2C1,CHEMBL1098709
+Cc1ccc2nc(-c3cc(-c4ccccc4)no3)cn2c1,bindingdb_89248
+CSC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647267
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)nc1,CHEMBL197595
+Oc1ccc2ccc(-c3ccccc3)cc2c1,CHEMBL194718
+CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1173623
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)c1cc[nH]c(=O)c1,bindingdb_652643
+COc1ncc(NCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_400900
+CCCCCCOc1ccc(C(=O)CCN(CCCC)CCCC)cc1,CHEMBL560911
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,DB11672
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1,CHEMBL220622
+Cn1ccc2c(-c3sc4cc(O)ccc4c3Oc3ccc(/C=C/C(=O)O)cc3)cccc21,bindingdb_404153
+O=C(c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL180707
+COC(=O)C(N)CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C,CHEMBL236495
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(N)cc3)cc12,CHEMBL3695830
+O=C1CC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCN1,bindingdb_650312
+C[C@@H](c1ccc(N)cc1)c1ccc([C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)O2)cc1,bindingdb_17496
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F,bindingdb_647909
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NS(=O)(=O)CC(F)(F)F)cc1,CHEMBL427890
+CCCc1cc(O)nc(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1,CHEMBL1336791
+CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(S(=O)(=O)c2ccccc2)c1C,CHEMBL1934433
+CC(C)(CC(=O)N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12)C(=O)O,bindingdb_654501
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)c(Cl)c1,CHEMBL263872
+CCCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183658
+Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccc(F)cc34)ccc12,CHEMBL1582191
+O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(C(=O)O)cc3)nc3cc(F)c(F)cc32)cc1,bindingdb_846300
+CC(C(=O)O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4237768
+O=C(O)[C@H]1CC[C@](O)(C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_654994
+O=C(NNCc1ccccc1)c1ccccn1,bindingdb_999822
+CCCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706875
+CSc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4064739
+Oc1ccc(-c2ccccc2)cc1,CHEMBL73380
+C[C@]1(O)CC[C@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_645921
+COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2OC1=O,CHEMBL458866
+O=C(O)CC1COc2cc(OCCCOc3cccc(Br)c3)ccc21,CHEMBL4288124
+C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21,CHEMBL425863
+CC#C[C@]1(NC=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4ocnc4c3)C[C@@]21C,CHEMBL1950698
+COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4101996
+O=C(NC1CCCC(C(F)(F)F)C1)c1ccc([N+](=O)[O-])o1,bindingdb_292556
+O=C(O)c1cccc(-c2noc(C34CCC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1017498
+Cn1ccc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21,bindingdb_999694
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCCN1CCOCC1,bindingdb_649293
+CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)NC2CCCCC2)cc1)C(=O)O,CHEMBL280897
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1,CHEMBL254743
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(C)(=O)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_646160
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc(F)cc1,bindingdb_646848
+COc1ccc2c(c1)-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL317983
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCN(S(C)(=O)=O)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54958
+CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1,bindingdb_652058
+Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12,bindingdb_953872
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1C,CHEMBL4167767
+CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1,CHEMBL494706
+Oc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL226268
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)CC1C1CCCCC1,bindingdb_1004648
+O=C(O)c1ccc2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018449
+COc1ccc(C(=O)Nc2cc(Oc3ccc(O)cc3)ccc2C)cc1,CHEMBL4169699
+CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C,bindingdb_648655
+Cc1nn(CCC(C)(F)F)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337831
+O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21,bindingdb_583998
+C[C@@H](O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965613
+Cc1cc(C)n(-c2nc(SCC(=O)Nc3nccs3)c3c4c(sc3n2)COC(C)(C)C4)n1,bindingdb_112218
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCS(=O)(=O)CC1,bindingdb_652321
+Cc1cccc2c(-c3cccc(NCc4ccc(CC(=O)O)cc4)c3)c(C(=O)c3ccccc3)cnc12,CHEMBL387484
+Clc1ccc(C=Cc2ccccn2)c(Cl)c1,bindingdb_999670
+CC(Cc1ccc(Oc2cc(N3CCN(C(=O)c4ccco4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL559112
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988663
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,CHEMBL559546
+CC(=O)N1CCC(C[C@@H](c2nc3ccccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1,CHEMBL4169187
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc(N5CCCCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263610
+CCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1,CHEMBL1329271
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCC5(CC4)COC5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017960
+CC(=O)N1CCN(c2ccc(CN(C3(C)CC3)S(=O)(=O)Cc3ccccc3)cc2)CC1,bindingdb_655036
+Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C,CHEMBL288436
+O=C(O)c1cccc(C23CCC(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)(CC2)CO3)c1,bindingdb_1019033
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4cccs4)CC3)c3cc(Br)ccc32)cc1,bindingdb_846260
+O=C(O)CCCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1,CHEMBL3263245
+O=C1c2ccccc2C(=O)C1c1nccc2ccccc12,bindingdb_584196
+N#Cc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)s1,CHEMBL2381195
+C[C@]12CCC(C(=O)O)=CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)c1ccccc1,bindingdb_1017528
+CCOc1ccc(-c2ccnc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018715
+Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,DB08604
+O=c1cc(-c2ccc(C(F)(F)F)cc2)oc2cccc(O)c12,CHEMBL2386392
+Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(=O)(=O)C(C)C)c2)ccc1Cl,CHEMBL595454
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264920
+CC(C)[C@@H](CC(=O)N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12)C(=O)O,bindingdb_654553
+CNC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4214020
+CCn1cc(S(=O)(=O)C2C[C@H](CC(C)(C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_649961
+CC[C@@]12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL212456
+CC1CCCCN1S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650118
+CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,CHEMBL3692351
+Cc1ccc(C2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]cn2)cc1,bindingdb_950127
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1,CHEMBL361424
+CNc1cnc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654472
+CC(C)NC(=O)c1nc2ccccc2s1,bindingdb_672300
+c1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1,bindingdb_584199
+CC(C)OC(Cc1ccc(OCCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O,CHEMBL305723
+CC(C)(C)OC(=O)[C@H]1C[C@]1(c1ccc(C(OCc2c(F)cccc2F)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1,bindingdb_653236
+Oc1ccc2c(c1)O[C@H](c1cccc(OCCN3CCSCC3)c1)C1=C2CCOc2cc(O)ccc21,CHEMBL1086388
+Cc1cc(C)c2cc3c(ccn3C3OC[C@H](O)[C@H](O)[C@H]3O)cc2n1,CHEMBL1616540
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3cnc(C#N)c(Cl)c3)C(=O)[C@H]12,CHEMBL403213
+CCCCCCC1=C(c2ccccc2)[C@]2(OCCCC)CCC[C@@H]2C1,CHEMBL1765929
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3ccc(C#N)cc3)cs2)cc1,CHEMBL4166982
+Cc1ccc(-n2nc3c(=O)n(C(C)C(=O)NCCCc4ccccc4)nc(C)c3c2C)cc1,bindingdb_539818
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1)[C@@H](C)O,bindingdb_1184308
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccncc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127577
+CCOc1ncc(-c2cccc(N(CC34CCC(c5nc(C(C)(C)C)no5)(CC3)CC4)C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)c2)cn1,bindingdb_1018287
+CCCS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649858
+CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,bindingdb_989020
+Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1,CHEMBL1501734
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(F)ccc2[nH]1)C(F)(F)F,CHEMBL1911646
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2Oc2c(F)cccc21,bindingdb_1054358
+O=C(CSc1nc(O)c2ccccc2n1)c1ccc(O)c(O)c1,CHEMBL240331
+Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Cl)C[C@@H]1[S+]2[O-],CHEMBL2031521
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(Cl)c2)cc1,CHEMBL3609390
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4[C@H](C)CCC[C@@H]4C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263619
+CCCC[C@]12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,CHEMBL211667
+Cc1cc(S(=O)(=O)C23CCN(C(=O)C4(O)CCS(=O)(=O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1F,bindingdb_647433
+COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650853
+O=S1(=O)CCC(c2cccc(F)c2Cl)=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc21,bindingdb_402358
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)cc1,CHEMBL381889
+CCC1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1,CHEMBL1582403
+N#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)c(Br)c12,CHEMBL362966
+CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,CHEMBL495
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cc(F)cc(F)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018600
+CCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059574
+Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3764185
+CN1CCCC1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,bindingdb_402984
+CCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL519153
+COc1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)nc(C(=O)O)c1,bindingdb_1017950
+CCO[C@H](COc1ccc(C(F)(F)F)cc1)C[S+]([O-])c1ccc(OCC(=O)O)c(C)c1,CHEMBL230287
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2cccn2)cc1,CHEMBL593801
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)cc12,CHEMBL3695873
+CCCN(c1ccccc1C)S(=O)(=O)c1ccc(O)c(C)c1,CHEMBL381976
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccc(Cl)cc3C2)c1,bindingdb_598203
+CSc1ccccc1-c1nnc(-c2ccccc2)o1,bindingdb_1000260
+CC(C)c1oc(-c2ccc(C(C)(C)C)cc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778835
+Cc1sc2nc3c(SC(C)C(=O)O)cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C,bindingdb_1026161
+c1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1,CHEMBL2087280
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ccc2c1)c1ccccc1,CHEMBL3581638
+Cc1cc(OCc2nc(-c3ccc(OCC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1080535
+Cc1cc(C(F)(F)F)cc2cn(Cc3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)nc12,bindingdb_206590
+O=C(NCCS(=O)(=O)O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018000
+O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21,CHEMBL219126
+Cc1cc(-c2ccc(N3C(=O)CCC3=O)c(C)c2)ccc1N1C(=O)CCC1=O,CHEMBL1354003
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4cncnc4)cc3)ccc21,bindingdb_988909
+C=C1c2ccc(-c3cccc(C(=O)O)c3)cc2C(=O)N(C)c2ccc(CC)cc21,CHEMBL2171917
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_1127344
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1,CHEMBL2441096
+COc1ccc(C(=O)c2cccn2C/C=C/c2cccc(OCC(=O)O)c2)cc1,CHEMBL1641713
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)C(=N)/C=C\C(=N)N,bindingdb_652854
+COc1ccc2c(c1)c(=O)oc1cc3oc(C)c(C)c3cc12,CHEMBL1520373
+COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC4CCOC4)c2)CS3)c1,bindingdb_55647
+CCc1ccc(-c2nc(C)cc(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL240459
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2COC[C@@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1182806
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL103
+CN(C)[C@H]1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C[C@@H]1O,bindingdb_647474
+O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1,bindingdb_1018528
+CC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1,CHEMBL3335645
+Cn1c(C#N)ccc1-c1cc2c(cc1F)NC(=O)C2(C)C,CHEMBL406235
+CC(C)n1c(O)nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21,CHEMBL364354
+CC(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_672574
+CC(C)OC(=O)N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_998152
+COc1ccccc1-c1nc(CCOc2ccc(CC(OC)C(=O)O)c3sccc23)c(C)o1,CHEMBL519802
+O=C(O)CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1,CHEMBL3263240
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1c(F)cc(CC(C)C)cc1F,bindingdb_1183151
+O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1,CHEMBL1543662
+Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)c4c(-c5ccc(O)cc5)sc5cc(O)ccc45)cc3)CC2)cc1,CHEMBL180702
+O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(F)c1,CHEMBL1956365
+CCC1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1,CHEMBL326873
+O=C(O)c1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c2cc[nH]c2c1,bindingdb_1018981
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1cccs1,CHEMBL4217784
+COc1ccc(-c2nc(COc3ccc(CCC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1079677
+Cc1ccc2oc3cc(NCCCN(C)C)c4c(=O)c5ccccc5c(O)c4c3nc2c1,bindingdb_972736
+CC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1,CHEMBL1494151
+CC[C@@H]1c2ccc(C(=O)N[C@@H](CCO)c3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_1127724
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4ccc(C)cc43)c2)c(C(=O)O)c1,CHEMBL522575
+CC(N=Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1,bindingdb_292637
+C=CCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)CN1,CHEMBL4073023
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4ccc(O)cc4)noc3C3CC3)sc2c1,bindingdb_109252
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O,CHEMBL3352822
+COC(=O)C(c1ccccc1)(c1ccc(SCc2ccccc2C(=O)O)cc1)c1ncco1,bindingdb_988856
+CC(C)(C(=O)O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650846
+O=C(c1cnc(C2OCCO2)s1)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650892
+CC(C)CN(Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263701
+Nc1ccc(C(=O)Nc2ccccc2N)cc1,bindingdb_999640
+Cc1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)CC2c2ccccc2)cn1,bindingdb_999876
+C[C@H]1C[C@@H]2CN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CN(C[C@@H](F)C(C)(C)O)C4=O)CCN2C1,bindingdb_1127509
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(Cc3cccc(C(=O)O)c3)c[nH]c2c1,CHEMBL552352
+Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1,CHEMBL114159
+Cc1cccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)c1,CHEMBL4292598
+O=S(=O)(c1ccccc1)N(CCC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094378
+CCS(=O)(=O)c1cc(F)cc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL594984
+CNC(=O)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4072936
+CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1,CHEMBL2338486
+C/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120319
+CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4F)c(C(F)(F)F)c23)[C@@H](C)C1,bindingdb_647660
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccc(F)cc3)c(F)c2)CC1,CHEMBL3581537
+CCCCCCCN(C(=O)Nc1ccccc1C(F)(F)F)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL398448
+Cc1ccc(C)n1-c1ccccc1C(=O)O,CHEMBL1332168
+Cc1cnc(C(CCC(C)C)NC(=O)Cc2ccc3oc(C(O)c4c(C)noc4C)cc3c2)c(C)c1,CHEMBL3314026
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(NC(C)C)c2)c(C)c1,CHEMBL1668077
+Cc1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(Br)c1,bindingdb_1689
+O=P1(N(CCCl)CCCl)Nc2ccccc2N1,bindingdb_999676
+CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2c1OCC2,CHEMBL3126945
+CN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1c[nH]c(=O)cn1,bindingdb_648953
+CCCCCCOc1ccc(Nc2ccccc2C(=O)O)cc1,bindingdb_475593
+CCOC(COc1ccc(C(F)(F)F)cc1)COc1ccc(OCC(=O)O)c(C)c1,CHEMBL230179
+C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1,3zqt
+Cc1nc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)ncc1CO,CHEMBL3673696
+CN(Cc1ccc(C(=O)NS(=O)(=O)C2CC2)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F,bindingdb_1018122
+Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,CHEMBL46882
+COc1ccc(OCCNCCCF)nc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402325
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087285
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,CHEMBL232250
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C#N)nc2)[C@H]3C(C)C)cc1,bindingdb_271103
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL1940557
+N#CC1C(=N)OC2=C(CCC/C2=C/c2ccoc2)C1c1ccoc1,bindingdb_401175
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(=O)O)c2)cc1)Cc1cc(F)cc(F)c1,CHEMBL2087286
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(CO)C2COC2)cc1F,bindingdb_650510
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(CC)(c2ccc3c(c2)OCCO3)C1=O,CHEMBL3589806
+CCC/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)cc1,CHEMBL123268
+C=CCOc1c(C)cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1Cl,CHEMBL223675
+CC(=O)N1CCN(C2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,bindingdb_651426
+COCc1nc(-c2ccc(C(=O)NCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)cc2)no1,CHEMBL401562
+CC(=O)N1CCC(C(N)=O)(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651640
+CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21,bindingdb_197521
+Cc1nn(Cc2nnn[nH]2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_18547
+CCCCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL375471
+CC(C)(C)c1ccc(Nc2n[nH]c3ccccc23)cc1,bindingdb_1000160
+CC(C)COc1ccc2c(c1)c(Oc1cccc(C(F)(F)F)c1)c(C(=O)O)n2-c1ccc(C(C)(C)C)cc1,CHEMBL198091
+O=C(O)C(Cc1ccccc1)Oc1cccc(F)c1,CHEMBL1956358
+O=C(O)c1cc(OC2CC2)c2nc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1019020
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2ccnc(F)c2)cc1,bindingdb_511762
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cccc(C(F)(F)F)c2)cc1,CHEMBL1081750
+CCc1nc(C(=O)O)cc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1017584
+CNC(=O)c1cccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4nc3C)cc2)c1,CHEMBL1089231
+Clc1ccc(CN(Cc2cccnc2)Cc2ncc[nH]2)cc1,CHEMBL2381213
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184054
+CCCCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,bindingdb_963231
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL123257
+Cn1cc(C2c3nnnn3CCN2Cc2cccs2)c(C2CC2)n1,bindingdb_648980
+NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C(c2nc[nH]n2)C1,bindingdb_988963
+Cc1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)n1,CHEMBL2336966
+c1cc2cc(c1)Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1)CC2,CHEMBL410486
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H](C)C(C)C)c2=O)nc1,bindingdb_647465
+CCCCC12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL381495
+O=C(O)CC1CCN(C(=O)C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)CC1,bindingdb_1017893
+O=C(Nc1ccccc1)c1nc2ccccc2s1,bindingdb_672601
+Cc1c(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)cccc1C(=O)O,bindingdb_1018143
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)cc1,bindingdb_511816
+Cc1c(OCCNCCCF)ncnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_401260
+CCc1cc(CN2CCC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206466
+COC(=O)c1cccc(-c2noc(C34CCC(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1017601
+O=C(O)C1Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1,CHEMBL363154
+O=C(NS(=O)(=O)C1CCCC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018244
+N#C/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4068722
+N#Cc1cc(O)c(C#N)c2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL371564
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(F)cc3)oc2C)ccc1F,CHEMBL3827241
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_648909
+O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1,CHEMBL1981243
+Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1080173
+CC(=O)N(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)c1nnc(C)o1,bindingdb_649633
+Cc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccco1)C2,CHEMBL1541779
+CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(C)(=O)=O,CHEMBL2153840
+COc1ccc(OC)c(CN2CCn3nnnc3C2c2cccc(F)c2F)c1,bindingdb_646254
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183937
+CCc1cc2cc(C(=O)Nc3ccc(C)cc3)sc2s1,bindingdb_953929
+COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C(C)=O)c1,bindingdb_356198
+CCc1cc(OCCc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)ccc1CCC(=O)O,bindingdb_1002006
+O=C(O)CC(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S,CHEMBL1508847
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(C)(C)C,CHEMBL3233272
+C[Si](C)(O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL4243206
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2cccnc2)cc1,CHEMBL125894
+Cc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,bindingdb_89232
+O=C1CC2(CCN(C(=O)[C@@H]3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)CC2)N1,bindingdb_652251
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)n[nH]c1=O,CHEMBL3261321
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C(F)(F)F)ccc3o2)c1)C(=O)O,CHEMBL245464
+Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1,CHEMBL270960
+CN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Cl)ccc32)cc1,CHEMBL1374241
+N#Cc1ccc(-c2ccc(N3CCOCC3)s2)cc1,CHEMBL3323476
+CC(=O)OC1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CCC(C(C)CCC(=O)O)[C@@]1(C)CC3=O,CHEMBL211039
+CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL78625
+O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1,bindingdb_112123
+CC12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CCC43C)[C@@H]1CCC2=O,CHEMBL3137947
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC1(OC)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652703
+CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1)c1ccccc1,CHEMBL606425
+O=COc1ccc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)nc1,bindingdb_1018998
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(O)C(F)(F)F)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183495
+CC1CCN(Cc2ccc(NC(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)cc2)CC1,CHEMBL1373720
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1,bindingdb_401300
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2cccnc2)cc1,CHEMBL515181
+CCCCCCCN(C(=O)Nc1cccc(F)c1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL251420
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5cc6ccccc6s5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4208840
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC[C@H](n3cnnc3)[C@H](F)C2)cc1F,bindingdb_650491
+CCCCCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778833
+COC1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_647253
+C[C@@H]1[C@H](CNCOC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N1S(=O)(=O)c1ccc(F)c(F)c1,bindingdb_651788
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCOC4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL415621
+Cc1ccc(Cl)cc1N/C(S)=N/CC(C)C,CHEMBL199418
+CCCCS(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1,CHEMBL247046
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CCC(C(=O)O)CC2)c2ccccn12,bindingdb_998315
+Oc1ccc2cc(-c3ccc(O)c(F)c3)sc2c1,bindingdb_404000
+COc1ccc(Cl)c(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1,bindingdb_650613
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_650060
+Nc1nc2c(s1)CCc1c-2cnn1-c1ccccc1,bindingdb_1004976
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc(NC(N)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653059
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(Cl)cc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL232428
+CC(=O)NC(C)c1nc(-c2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)no1,CHEMBL4100619
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1,bindingdb_1183056
+CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-],CHEMBL2070098
+C=C(CC(=O)Nc1ccc(CCCCCC)cc1)C(=O)O,CHEMBL235489
+CN1C[C@H]([C@@H](O)C(F)(F)F)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O,bindingdb_29788
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(Cl)nc2)cc1,CHEMBL1081926
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl,CHEMBL3639397
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1,bindingdb_400975
+CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@H](C(F)(F)F)C2)c1,bindingdb_1130998
+N[C@H](Cc1ccccc1)[C@H](O)C(=O)NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647275
+CCC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,CHEMBL3937232
+Cc1ncc(C(=O)NCc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)s1,bindingdb_18579
+CCc1cc(CN2CC3(CCS(=O)(=O)CC3)C2)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206527
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934317
+C[C@H]1CN(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCN1CC(=O)O,bindingdb_647033
+Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1,DB11219
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CNC3)cc2C1=O,bindingdb_1127564
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc(F)cc1,CHEMBL3617305
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(/C=C/C#N)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651638
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3C4CCCC3CCC4)cc2)cc1,CHEMBL184360
+Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)cc2Cl)c(Cl)c1,CHEMBL4285636
+Cc1cnc(-c2ccc(Cl)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL239771
+CCOc1ccc(OCc2ccc(C(=O)OCc3ccccn3)o2)cc1,bindingdb_584207
+CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1,bindingdb_1026215
+O=C1CN(C(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CCN1,bindingdb_655039
+CC(C)(C)OC(=O)N1CC2N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_645576
+Cc1ccc(N=CCC(=O)c2ccccc2)cc1Br,bindingdb_672430
+Cc1cc(OCC(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1,bindingdb_292543
+O=C([C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCc2ccncc2C1,bindingdb_651091
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCOC2,CHEMBL4094154
+CCc1cc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1CCC(=O)O,bindingdb_262528
+CCCCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706879
+CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL414868
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC1CCCCN31,CHEMBL226609
+CC(C)C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4ccc(Cl)c(C#N)c4)c(C(F)(F)F)c23)CC1,bindingdb_646180
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43CC=O)C1CC[C@@H]2O,CHEMBL201364
+Brc1ccc(-c2nc(-c3ccccn3)no2)o1,bindingdb_1000171
+CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,bindingdb_953840
+CCS(=O)(=O)Nc1cc(F)c(-c2ccc(C#N)n2C)c(F)c1,CHEMBL2203836
+CC(C)S(=O)(=O)Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_646639
+O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCCc1ccc(C(F)(F)F)cc1,bindingdb_1003811
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C(F)(F)F)c2[nH]1)C(F)(F)F,CHEMBL1911546
+CS(=O)(=O)c1ccc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654540
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCCC2)cc1[N+](=O)[O-],CHEMBL2348899
+CCCc1c(OCCCCN2C(=O)CN(C)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12,CHEMBL3403707
+N#Cc1cccc(S(=O)(=O)n2ncc3ncc(NC(=O)c4c(F)cccc4Cl)cc32)c1,bindingdb_998080
+FC(F)(F)c1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)nc1,bindingdb_760399
+COc1cc(NC2CN(CCCF)C2)c(F)cc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_400928
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DB00764
+COC1CN(C(=O)c2ccc3c(N4CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C1,bindingdb_646006
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccccc3)cc2)cc1,CHEMBL4279420
+Oc1ccc2c(c1)SCC(c1ccc3ncccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401948
+CC(C)c1c(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206423
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(NCCNCCCF)cn2)N1CC(F)F,bindingdb_403383
+CCCCCCSc1cc(C)c(C(=O)CCN2CCNC(=O)C2)c(C)c1,CHEMBL550759
+CCCCOc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)[nH]c(=S)c2C#N)cc1,bindingdb_953768
+OC[C@@H]1CCC[C@H](c2ccc(O)cc2)CC1,CHEMBL4290786
+COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1,CHEMBL1364290
+O=C(Nc1ccc(Cl)cc1)c1cnc2c(c(C3CC3)nn2-c2ccccc2)c1Cl,bindingdb_417318
+CCCc1c(OCCCN(C)c2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12,CHEMBL383646
+CC(C)OC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2/C1=[N+](/C)[O-],CHEMBL250276
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(NC2CN(CCCF)C2)cc1,bindingdb_961225
+O=C(C1CCS(=O)(=O)C1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3942524
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccc1,CHEMBL390577
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(-c3ccccc3)cc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL347076
+CC(=O)/C=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682430
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2(C)CC2)cc1C(F)(F)F,bindingdb_1184224
+CSCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL369935
+O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCCc1ccccc1C(F)(F)F,bindingdb_1003708
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(Cl)cc1Cl)CCS2,bindingdb_403775
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CCCOC1)O2)C(F)(F)F,bindingdb_646172
+CCOc1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1OCC,bindingdb_17447
+Cc1c(OCCNCCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_402097
+CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CHEMBL3092201
+Cc1nn(CCN2CCN(S(C)(=O)=O)CC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168392
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)O,CHEMBL246279
+CCO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@H](O)[C@@H]12,CHEMBL3326455
+CC(C)Oc1cc(C(=O)O)nc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018790
+COc1cc(C)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1C,bindingdb_403089
+O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nc2c1)c1ccccc1Cl,CHEMBL384232
+C[C@H](CCOc1ccc(CCC(=O)O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1,CHEMBL215245
+Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C,CHEMBL1330946
+CC1CN(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CC(C)O1,bindingdb_651024
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(OC)c3OC)cc21,CHEMBL204717
+CCS(=O)(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1,bindingdb_999731
+CC(C)C(O)(c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F,CHEMBL3818826
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NC[C@H]3CNC(=O)O3)c(S(C)(=N)=O)c2)cc1,bindingdb_55018
+COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1,CHEMBL59082
+CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CC2C)c(C)c1,CHEMBL562173
+CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270742
+CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c(O)c1,bindingdb_112127
+COc1ccc(CCc2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)cc1,CHEMBL573399
+Cc1cc(CN2Cc3ccccc3C2C(=O)O)ccc1OCC(=O)O,CHEMBL1643198
+Cn1cc(C2CCN(C(=O)C3CCCCC3)CC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21,bindingdb_650303
+CCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O,CHEMBL186598
+O=C(O)Cn1ccc2c(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)cccc21,CHEMBL200984
+Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)c(F)c1,CHEMBL447837
+Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1,CHEMBL1323006
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C(=O)OC)c1ccccc1,CHEMBL214942
+CCC(C(=O)O)C1CCc2cc(OCCc3c(C)noc3C)ccc21,CHEMBL199362
+Cc1c(/N=C2\N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL483941
+SC1=Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCC2,CHEMBL283759
+Oc1ccc(-c2ccc3c(F)c(O)ccc3c2)cc1,CHEMBL192782
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)c2ccccc12,CHEMBL508299
+Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1,bindingdb_1000328
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1182751
+CN1C[C@@H](N(Cc2ccccc2)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL562345
+CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)CO)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645972
+CCOC(=O)N1CCC(NC(=O)C2CCCN(Cc3nc(-c4ccc(CC)cc4)oc3C)C2)CC1,bindingdb_539990
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCOCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL604334
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCCCCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263654
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](CO)c1ccccc1,CHEMBL385489
+N#Cc1ccc(C(O)(c2ccc(Cl)o2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3818412
+O=C(O)COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1,CHEMBL1813191
+CCc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2,CHEMBL402493
+Oc1ccc(-c2ccc3ccc(O)cc3c2)cc1,CHEMBL191715
+NC(=O)c1ccc(F)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596595
+CCCc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220223
+O=C(CC(=O)c1cccs1)c1ccncc1,bindingdb_1000025
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ccn2)N1CC(F)(F)F,bindingdb_401256
+Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,CHEMBL466323
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DB00547
+Oc1ccc(/C(=N\c2ccccc2Cl)c2ccc(O)cc2O)cc1,CHEMBL3234630
+CCCCCCCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C,CHEMBL4175592
+COc1ccccc1Nc1nc2ccccc2[nH]1,bindingdb_1004929
+CSc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NS(=O)(=O)C2CC2)cc1,CHEMBL3976935
+Oc1ccc2c(c1)CCCC(c1ccc(C(F)(F)F)nc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403591
+O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2cc(O)ccc21,CHEMBL373095
+CC1CCN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc21,CHEMBL4209665
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccccc1,CHEMBL181601
+CCCN1CC2N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2ccccc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_648732
+Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1,bindingdb_417766
+CC(C)(C)OC(=O)NC1Cc2ncc(NC(=O)OCc3ccccc3)cc2N(S(=O)(=O)c2cccc(C#N)c2)C1,bindingdb_646794
+CCCCC(CC)c1nnc(NC(=O)c2cccs2)s1,bindingdb_112248
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCc2ccncc2)c1C,CHEMBL501979
+Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219688
+Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1Br,CHEMBL250097
+COc1ccc(CC(Sc2ccc(OCC(=O)O)c(C)c2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1,CHEMBL2037586
+CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,bindingdb_965525
+CC(C)CCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl,CHEMBL1933842
+O=C(O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1,CHEMBL3589349
+COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1,CHEMBL1449547
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1182633
+O=c1nc2sc(=Cc3ccco3)c(=O)n2nc1Cc1ccc(F)cc1,bindingdb_526036
+COc1ccc([C@H]2CC[C@H](CN(c3cccc(-n4ccc(C)n4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1C,bindingdb_1018754
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]4CC[C@H]5[C@@H]6[C@H](O)C[C@@H]7C[C@H](O)CC[C@]7(C)[C@H]6C[C@H](O)[C@]45C)C(=O)O)cc3)C[C@@]21C,CHEMBL436859
+COC(=O)C(C)CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1,CHEMBL4085105
+Cc1c(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1Cl,bindingdb_506279
+Oc1ccc2c(c1)SCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403680
+CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(Oc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649222
+CCc1cc(C(=O)O)cc2sc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1019090
+CCCOc1ccc(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL272137
+COc1cc(CNC(=O)[C@@]2(Cc3ccccn3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407872
+Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2cc3ccccc3o2)cc1,CHEMBL2037312
+Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H]3CCC[C@H]32)cc1,CHEMBL234639
+COCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1,bindingdb_168484
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C=C2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361055
+C1CCC(CN2CCn3nnnc3C2C2CCCCC2)CC1,bindingdb_647043
+CCc1cc(CN2CCC3(CCN(S(C)(=O)=O)C3)C2)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206408
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1OC1CCCN(C)C1,bindingdb_54896
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1,bindingdb_646137
+N#Cc1ccc(N2CCCC2)c2ccccc12,CHEMBL570898
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3678134
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCC1)C(=O)CO,CHEMBL525442
+Nc1nn(-c2cccc(F)n2)cc1-c1ccc(Cl)cc1,bindingdb_999626
+OCCN1CCN(c2cnc(-c3ccsc3)cn2)CC1,bindingdb_999595
+CCCN(C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348869
+CCN(C[C@]1(F)CC[C@@H](C(F)(F)F)CC1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_652700
+COC(=O)c1cc2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2[nH]1,bindingdb_109230
+CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1,CHEMBL4061980
+Cc1cccc(N2CCN(C(=O)CSCc3c(C)noc3C)CC2)c1C,bindingdb_760652
+COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c(OC)c1,CHEMBL246654
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C[C@](C)(O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646797
+Clc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1,bindingdb_982656
+CC(=O)Oc1ccc(C2Nc3c(C(=O)O)ccc([N+](=O)[O-])c3C3C=CCC32)cc1,bindingdb_109175
+CN(c1cc(Cl)c(C(=O)Nc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1)C1CCCCC1,CHEMBL3613435
+NC(Cc1cc(O)c(O)cc1O)C(=O)O,CHEMBL109037
+CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1085381
+CC(=O)Nc1cccc2c1C(=O)N(c1ccc(C)cc1)C2=O,bindingdb_91278
+O=C(O)CC1CN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)C1,bindingdb_648115
+Oc1ccc2c(c1)CCCC(C1=CCOCC1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_400986
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1,CHEMBL1089632
+O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12,bindingdb_1731
+CCCCCCCCCCCCCC(=O)O,CHEMBL111077
+N#Cc1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1,CHEMBL3105813
+CCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)ccc2c1COC2(C(F)(F)F)C(F)(F)F,CHEMBL3588885
+FC(F)(F)Oc1cc(-c2nn[nH]n2)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018590
+O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3735209
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1183305
+COc1cc(N[C@H](C)C(F)(F)F)ccc1-n1c(C(C)(C)C)nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c1Cl,bindingdb_1183183
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F,CHEMBL237843
+Cn1c(C(C#N)C2=C(Cl)C(=O)N(c3ccccc3)C2=O)nc2ccccc21,CHEMBL1426027
+CCCCOc1ccc(CC(CCC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL229573
+O=C([C@H]1CC[C@](O)(C(=O)O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647530
+COCCOc1nc2ccccc2cc1C(=O)/C=C/c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,bindingdb_1003730
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)cnc(C(=O)N3CC(O)C3)c1Cl)n2C,bindingdb_649581
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1,CHEMBL4204689
+CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1,bindingdb_1000332
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC1(CC1)[C@@]21C=CCO1,CHEMBL3692350
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3(C)CC3)c2=O)cc1,bindingdb_649781
+Cc1cc(C(=O)NC[C@H]2CC[C@H](Oc3ccnc4c(Br)cccc34)CC2)no1,bindingdb_476159
+COC(=O)C1Cc2ccc(OCCc3nc(-c4cccc(F)c4)oc3C)cc2OC1=O,CHEMBL477644
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CC2)cc1,bindingdb_402906
+NC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2059552
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC4CC4c4cccc(C(=O)O)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018664
+O=C(C1CCS(=O)(=O)C1)N1CCC2(S(=O)(=O)c3ccccn3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_654196
+Cc1cc(SCC(O)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O,CHEMBL397970
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5cccc(F)c5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_654535
+CC(=O)NC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647518
+C/C(=C\CCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)C(=O)O,CHEMBL4215434
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183026
+COC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4217890
+CCCCC(Sc1nc(OCCc2ccc(OC(F)(F)F)cc2)cc(OCCc2ccc(OC(F)(F)F)cc2)n1)C(=O)O,CHEMBL1170852
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3CC(F)(F)F)cc1,bindingdb_206343
+Clc1ccc(Nc2nc(-c3ccncc3)cs2)cc1,CHEMBL577709
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](C(=O)O)n2cccc2)cc1,CHEMBL2237304
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(=O)O,CHEMBL206202
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC,CHEMBL4171153
+C[C@@H](C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1)C(C)(C)C,bindingdb_646015
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C34CC(C3)C4)CC1)cn2C,bindingdb_646179
+O=C(O)[C@H](COc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL2375949
+N#Cc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cnc[nH]3)cc2c(C#N)c1Oc1ccccc1,bindingdb_54897
+CC(C)CN(Cc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3263714
+COc1ccc2c(-n3c(=O)n(Cc4cccc([C@@]5(C)OC(=O)NC5=O)c4)c4ccccc43)noc2c1,CHEMBL1947144
+CCCCCS(=O)(=O)NC(=O)C1CC1c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2024609
+O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2,CHEMBL1309624
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)sc2c1,bindingdb_1018472
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,bindingdb_1127391
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)CC1,bindingdb_651099
+Cc1cccc(C2CN(c3cccc(S(C)(=O)=O)c3)CCN2Cc2ccc(C(F)(F)F)nc2)c1,bindingdb_672400
+CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O,CHEMBL3126942
+COCCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183898
+O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)F)noc3C3CC3)C4)sc2c1,CHEMBL4083548
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3934102
+NC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1,bindingdb_953850
+CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1,bindingdb_108275
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1Cl,bindingdb_17597
+Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2c(F)cccc2Cl)s1,CHEMBL4228577
+CSc1nnc2c(n1)OC(c1ccsc1)N(C(C)=O)c1ccccc1-2,CHEMBL1543264
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1nccc(CO)n1,bindingdb_1131056
+CC(C)(N)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646256
+Cc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCCS3)cc1,bindingdb_539797
+Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)c1,CHEMBL3398433
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C4CC(O)(C(F)(F)F)C4)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)no1,bindingdb_1019041
+Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O,CHEMBL1081917
+CCOc1cccc(/C=C/c2ccc3ccccc3n2)c1OC(C)=O,bindingdb_69102
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)C(C)c1ccccc1,CHEMBL184508
+CC(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4091432
+CCCCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1,CHEMBL203810
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccccc2Cl)C1=O,CHEMBL2407681
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCCN(C)C)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL601459
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CCCC3)cc2)Oc2ccc(O)cc21,CHEMBL4162508
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]21OC[C@@H](c2ccccc2)O1,CHEMBL195524
+Cc1cc(C)c(S(=O)(=O)NC(C)CSc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1,CHEMBL3261421
+CC(=O)Nc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1,CHEMBL1314687
+C[C@H](C(=O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](C)O2)c1ccccc1,bindingdb_998119
+CC(C)[C@@H]1CN(c2cc(F)c(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1130978
+Oc1ccc(-c2cscc2-c2ccc(O)cc2F)c(F)c1,CHEMBL2332569
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1)C(=O)O,CHEMBL489363
+CCN(CC)C(=O)c1nc(C(=O)NCC2(O)CC2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_645941
+O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1,CHEMBL597349
+CC1Cc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349040
+CS(=O)(=O)Nc1cccc2c(-c3cccc(Cl)c3)c[nH]c12,CHEMBL3605932
+Cc1cc(C)n(CC(O)COc2ccccc2)n1,CHEMBL1373202
+Cc1ccccc1CCc1ccnc(NC(N)=O)c1,CHEMBL2181933
+CC[C@](C)(c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCCC(=O)O)cc1,CHEMBL2112470
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)C(c3ccccc3)C2)c1,bindingdb_757610
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)NCC(=O)O)cc2Br)ccc1O,CHEMBL236080
+C=CC(=O)Oc1ccc(NC(=O)CCC)cc1,bindingdb_26650
+Cc1nc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)sc1C,CHEMBL2024022
+CC1(C)CCc2cc3c(C(F)(F)F)cc(O)nc3cc2N1,CHEMBL6874
+Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934482
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO,CHEMBL9337
+CCS(=O)(=O)NCC(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426121
+COc1ccc([C@H]2CC[C@H](CN(c3cc(-c4cnn(C(C)C)c4)ccn3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)nc1C#N,bindingdb_1018096
+O=C1COc2ccc(N3CCOC[C@H]3c3ccccc3)cc2N1,CHEMBL4062345
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O,CHEMBL2407851
+CCC(Oc1ccccc1Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC(F)(F)F)cc12)C(=O)O,CHEMBL179542
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(C#N)cc1-3,CHEMBL62227
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cccc(OC(F)(F)C(F)F)c2)c1)C12CC(F)(C1)C2,bindingdb_1017499
+CN(C)c1ccc(NC(=S)c2ccccn2)cc1,bindingdb_584100
+CC(C)(O)Cn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183920
+CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C,bindingdb_34105
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3[C@@H](C)c2cccc3c2OC(F)(F)O3)cc1,bindingdb_270512
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C#N)ccc2[nH]1)C(F)(F)F,CHEMBL1911649
+CC1(C)CC1C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648634
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCCN3CCOCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL602061
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O,CHEMBL3588889
+CCn1nc(C(=O)NC[C@@H]2CC[C@H](S(C)(=O)=O)CN2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184323
+CCCCOC(=O)c1ccc(O)cc1,CHEMBL459008
+Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2c(F)cccc2Cl)c(C)c1,CHEMBL1093523
+COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C,CHEMBL1481853
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1,bindingdb_475791
+Cc1nn(C2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168481
+Fc1cccc(F)c1/C=C/c1ccc2ccccc2n1,bindingdb_999991
+O=C(CCl)Nc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL449038
+Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)ccc(C#N)c1C(F)(F)F,CHEMBL3640849
+Cc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778732
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccccc1,CHEMBL1163646
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)CC3CCCCC3)C(C)(C)C1)cn2C,bindingdb_647731
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(CC)(c2ccc3c(c2)OCO3)C1=O,CHEMBL3590259
+OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F,DB07082
+CCCCN1C(C)=CC(=C2C(=O)c3ccccc3C2=O)C=C1C,bindingdb_55677
+c1ccc(CN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1,bindingdb_583978
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL384467
+CCOc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1,CHEMBL1524625
+CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1,CHEMBL3360969
+CC(C)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,CHEMBL1382890
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)O2,bindingdb_645868
+O=C(O)c1ccccc1Nc1ccccc1Oc1ccccc1,bindingdb_964676
+COc1ccc(C(=O)CC=Nc2cc(C)ccn2)cc1,bindingdb_1000000
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F,CHEMBL392568
+Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)c1,CHEMBL3699422
+O=S(=O)(c1cccc2ccccc12)N1CCc2ccc(O)cc2C1,CHEMBL1766976
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1182647
+CC1=C2c3ccc(O)cc3CC2(c2ccccc2)CCC1=O,CHEMBL211493
+COc1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1C#N,bindingdb_649577
+O=C(c1c(Cl)cccc1C1CC1)c1nc(N2CCC(C(=O)O)CC2)c2ccccn12,bindingdb_998386
+O=C(O)c1ccc(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)cc1,bindingdb_648490
+Cc1cccc2c1=NC(=O)C=2NNc1ccccc1,bindingdb_672389
+CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc[nH]c12,CHEMBL200952
+CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_648736
+CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1,bindingdb_961385
+COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,CHEMBL3716552
+C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL124737
+Cc1nn(Cc2cccnc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337821
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)c(F)c1)Oc1ccccc1-3,CHEMBL342426
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCC2)c(C(F)(F)F)c1)C(F)(F)F,bindingdb_651957
+CS(=O)(=O)NC(=O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018493
+CCC(Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094469
+Oc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccc(F)cc3OCC2)cc1,CHEMBL511971
+Cc1cc(OCc2nc(-c3cnc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1080172
+CCCCC(Sc1ccc(OCCCOc2ccccc2OC)cc1)C(=O)O,CHEMBL560205
+CC(C)(C)CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706882
+Cc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)cc1,CHEMBL3735496
+O=C1C(=Cc2ccccc2Cl)CCc2ccccc21,bindingdb_55524
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(=O)c2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206310
+Fc1ccc2c(c1)OCCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1,CHEMBL469512
+O=C(Nc1ccccc1Cl)NC1CCCCCCC1,bindingdb_69303
+O=C(NCc1ccncc1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646984
+N#Cc1cc(F)c(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017841
+O/N=C/c1ccc(-c2ccc(O)cc2)c2occc12,CHEMBL394614
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc3nncn3c2)c1)C12CC(F)(C1)C2,bindingdb_1019068
+O=C(NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)(C(=O)O)C(=O)O)c1ccc(Cl)cc1,CHEMBL375353
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,DB00412
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_646422
+CC1(C)C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21,CHEMBL480141
+CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1,CHEMBL3934455
+CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_648361
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_1000226
+C[C@H](CF)CN1[C@H](c2ccc(/C=C/C(=O)O)cc2)c2[nH]c3ccccc3c2C[C@H]1C,bindingdb_401927
+COC(=O)N1CC[C@H](N(Cc2ccccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL592016
+COCCNC(=O)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1,bindingdb_40616
+CCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc2c1CCC2(C)C,CHEMBL208316
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,CHEMBL3672844
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2CC(=O)O)c1,CHEMBL491750
+COc1ccc(OC[C@H](C)NCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_401929
+CCC1=C2c3ccc4[nH]nnc4c3C[C@@]2(CC)CCC1=O,CHEMBL377166
+COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1C,bindingdb_598438
+CCCc1nc2c(CO)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4277723
+CCC1SC(c2ccc(Oc3ccccc3)cc2)c2c(C)nn(-c3ccccc3C)c2NC1=O,CHEMBL2398209
+CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1,bindingdb_112249
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)c(Br)cc1F,CHEMBL233661
+C[C@]12CCC(=O)C[C@@H]1CC(CCCCCCCC(=O)N1CCCC1)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL427243
+COc1cnc([C@H]2CC[C@H](CN(c3cccc(-c4cnn(C5CC5)c4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1C,bindingdb_1018062
+C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,DB14583
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cn(C[C@@H](O)CO)nn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648431
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(Br)cc(Br)cc1-3,CHEMBL66198
+COC(=O)/C=C/c1ccnc(N(Cc2ccc(-c3ccc(N(C)C)nc3)cc2)C(=O)C2CCCCC2)c1,bindingdb_1018583
+COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,bindingdb_760332
+CCCn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C)cc2)c1=O,CHEMBL149676
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(C)(F)F,bindingdb_403361
+CCCCCCc1ccc(C(=O)CCBr)cc1,bindingdb_481562
+CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1,bindingdb_760573
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C)cc1,bindingdb_1127410
+CCOc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(OC)c2)sc1CC,bindingdb_988964
+CCn1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)CN2Br)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184159
+CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,CHEMBL4202474
+CC(C)(Sc1ccc2c(c1)CC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)O,CHEMBL443585
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4c(Br)cccc43)c2)c(C(=O)O)c1,bindingdb_598549
+O=C(Cc1ccncc1)N[C@@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12,bindingdb_648211
+C/C=C/[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL202415
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)nc2)c1)C12CC(F)(C1)C2,bindingdb_1018894
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1F,bindingdb_648314
+C[C@H]1c2c(cc(Cl)c(-c3cccc4cc[nH]c34)c2Cl)NC(C)(C)[C@@H]1O,CHEMBL1682440
+CC1(C)CCC(C)(C)c2cc(C(=C(F)F)c3ccc4cc(C(=O)O)ccc4c3)ccc21,CHEMBL78587
+C[C@](O)(Cn1ccnc1)C(=O)Nc1ccc(C#N)c(Cl)c1,bindingdb_475858
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1630754
+CCO[C@@H](Cc1ccc(CCC(OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL393005
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc(F)cc3)ccc12,bindingdb_1005019
+COc1cccc2c1-c1ccc3c(c1C(c1cc(Cl)cc(Cl)c1)O2)C(C)=CC(C)(C)N3,CHEMBL419158
+Cc1c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2C[C@H](C)C(=O)O)ccnc1OCCNCCCF,bindingdb_401528
+Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC(N)=O,CHEMBL1603680
+COc1cccc(C(O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)c1,CHEMBL366093
+CC(C)CCOc1c(Br)cc(CCC(=O)O)cc1Br,CHEMBL195855
+Cn1c(-c2ccc(-c3ccccn3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,CHEMBL497121
+CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12,bindingdb_999746
+CC(C)CC(c1nnnn1C)N(CC1CCC1)c1ccc(C#N)c(Cl)c1,CHEMBL551972
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1183925
+CCN1CCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1,CHEMBL121720
+Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,CHEMBL132889
+CS(=O)(=O)NCc1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654345
+N#Cc1c(NC(=O)CSc2nnc[nH]2)sc2c1CCCCC2,bindingdb_760309
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CN)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646188
+Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)c(Cl)cc4[nH]3)c2)ccc1CCC(=O)O,CHEMBL399217
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3ccc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652380
+CC1=C2c3ccc(O)cc3C[C@@]23CCC[C@H](C3)C1=O,CHEMBL373987
+Cc1oc(-c2ccc(F)cc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL147384
+COc1cc(F)c(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401552
+O=C(Nc1ccnnc1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651710
+CC[C@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL229861
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647828
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CC#N)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652376
+CN(Cc1cccc(F)c1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F,CHEMBL2070238
+CCOC(Cc1ccc(OCCN2CC=C(c3ccccn3)CC2)cc1)C(=O)O,CHEMBL492031
+Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL215042
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_652283
+COc1cc(Br)cc2c1OCc1c-2ccc2c1C(C)=CC(C)(C)N2,CHEMBL294265
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC1(O)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651259
+Cc1ccc2nc(-c3cccs3)c(N[C@H](C)c3ccccc3)n2c1,CHEMBL4071104
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6cc(C7CC7)n(C)n6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1017602
+COC(=O)c1cc2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2s1,bindingdb_1018349
+Cc1ccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)cc1,CHEMBL4281988
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(N)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183419
+CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1,CHEMBL2337793
+CC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc2c(c1)CCc1ccc(C(=O)O)cc1C2=O,bindingdb_1019104
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N(C)C)c(C(F)(F)F)n1,bindingdb_1143303
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018454
+CNC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL147419
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652664
+Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2OC(F)F)cc1,CHEMBL1645399
+C#CC[C@@H]1C2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]2[C@@H]1O,CHEMBL3138036
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccc(OC(F)(F)F)cc3)CCC[C@@H]2C1,CHEMBL216893
+C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3914142
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccc(OCCCCN3CCCCC3)cc12,CHEMBL240230
+CN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21,bindingdb_999840
+CC(C)S(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054281
+CCCCCCc1ccc(C(=O)CCN(C)CCO)cc1,bindingdb_481698
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43/C=C/Cl)C1CC[C@@H]2O,CHEMBL370236
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Oc6ccc(N)cc6)c(O)c5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_25291
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2ccc(OCc3ccccc3)cc2)c1,CHEMBL394947
+OC(c1ccccc1)(c1cccnc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4205629
+COC1CN(C(=O)C2CCc3c(C4=CC[C@@H](C(=O)O)[C@@H](C)C4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_646001
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401373
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12,CHEMBL3699347
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O,CHEMBL3358937
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC(OCc2ccncc2)CC1,bindingdb_648498
+COc1ccc([C@H]2OC[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(C(F)(F)F)cc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL541245
+CCC(C)Oc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1081962
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCCC5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263817
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OCC3)cc1,bindingdb_270551
+COc1cc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)nc(-n2cnc(CCS(C)(=O)=O)n2)n1,bindingdb_652029
+Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)oc2c1,CHEMBL1542847
+CCCCC(Sc1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)O,CHEMBL560484
+Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1,CHEMBL250307
+CC(C)(Oc1ccc(CCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204701
+Cc1sc(NC(=O)C(C)C)c(C(=O)Nc2ccccc2)c1C,bindingdb_292617
+Cc1c(O)ccc(-c2noc3cc(O)ccc23)c1O,CHEMBL188246
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(-c3ccccc3)cc2)C1=O,CHEMBL3590263
+C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2[nH]1,CHEMBL1970117
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(CC(F)(F)F)C(=O)O,CHEMBL199459
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)O,CHEMBL516274
+CC(C)[C@H]1c2ncc(C(=O)NCCC3CCOCC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127423
+CC1=CC(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@@H](O)CC2=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]21C,CHEMBL3632950
+NC(=O)C1CC2(C[C+](c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)[N-]O2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1,bindingdb_539935
+CC(C)c1cc(Cc2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O,bindingdb_965685
+COc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1645398
+C[C@H]1CC(C(=O)O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649822
+CCCc1cc2c(oc(=O)n2C(C)C)c(CCC)c1O[C@H](C(=O)O)c1ccccc1,CHEMBL372220
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(OC4CCC4)c3CC[C@H]12,bindingdb_647981
+Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21,CHEMBL196131
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@H](C)C(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183403
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2Cc2ccc(F)cc2)c(Cl)c1Cl)C(F)(F)F,bindingdb_646494
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2ccccc2Cl)n1,CHEMBL3926292
+C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(C#N)c1,CHEMBL3261400
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)nc3)ccc21,bindingdb_1054241
+Cc1ccccc1CNc1ncnc2cc(Cl)ccc12,bindingdb_953849
+N#Cc1cnn2c(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cnc2c1,bindingdb_1017546
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1182776
+Cc1cc(OCC(=O)O)ccc1OCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1,CHEMBL379851
+Cc1sc(N2CCN(C)CC2)nc1CCOc1ccc(C[C@@](O)(C(=O)O)c2ccccc2C(=O)c2ccccc2)cc1,CHEMBL2282518
+COc1nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1OCC(F)(F)F,bindingdb_653697
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)(F)F)nc2OC)[C@H]3C(C)C)cc1,bindingdb_270996
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1,CHEMBL242293
+COC(=O)/C=C/c1ccc(Oc2c(-c3ccccc3C(C)C)sc3cc(OC)ccc23)cc1,bindingdb_401922
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1=O,CHEMBL2407675
+COc1cc(Cl)cc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@H](C)C(C)(C)C)CC4)cn3C)c2C)c1,bindingdb_645219
+O=C(O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(Cl)c1,bindingdb_1018415
+C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1,CHEMBL469759
+Cc1cc(SC(CCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037579
+CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,bindingdb_672648
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CF)CC3)c3cccnc23)c(F)c1,bindingdb_646951
+CN(Cc1ccc(CC(=O)O)cc1)C(=O)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1,bindingdb_650976
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2ccc(F)cc2s1,bindingdb_1131054
+CCN(CC)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(Cl)cc1,bindingdb_645777
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CC(CCl)C2)cc1,bindingdb_961264
+CC(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426624
+C/C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1,CHEMBL3774647
+Oc1ccc2cc(-c3ccc(O)c(Cl)c3)ccc2c1,CHEMBL365999
+CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL2137046
+CC1(C)Nc2c(cc(-c3cccn4nccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582120
+Cc1ccc(CNc2nc3ccccc3n2C)cc1,bindingdb_672528
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1080349
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(OC)c(OC)c4)oc3C)ccc21,CHEMBL197971
+O=C(CSc1ccc(-c2cccs2)nn1)N1CCCCCC1,bindingdb_89245
+CCO[C@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O,CHEMBL492047
+Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C(=O)O)C(C)C)c1,CHEMBL564902
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(NC(=O)OCC(F)(F)F)cn3)C2)cc1C(F)(F)F,bindingdb_475909
+COC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3[nH]ncc23)CC1,bindingdb_270515
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3c2CCCC3)c(F)c1,CHEMBL3596271
+NC(=O)CN1CCC(O)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1,bindingdb_988979
+O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)NCc1ccco1,CHEMBL1586766
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017438
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)c4ccccn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4169184
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)cc3F)ncn2c1,CHEMBL2426147
+CC(C)(Oc1ccc(CCCO)cc1)C(=O)O,CHEMBL2204685
+CCN(CC)CCCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,bindingdb_87220
+CC(C)CN(Cc1ccc(N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2F)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_646769
+CC1(C)CCCN1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL183371
+C[C@H](O)[C@H](C)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1,bindingdb_1184181
+Cc1cc(N2CCOCC2)cc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_654908
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccoc2)cc1O,CHEMBL2031956
+C[C@H]1C(=O)C(C#N)C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651590
+CC1(C)C2CCC(NC(=O)c3cc(Oc4c(Cl)cc(-n5ncc(=O)[nH]c5=O)cc4Cl)ccc3O)C1C2,CHEMBL124205
+Cc1cccc(N2CCN(C(=O)CSCc3c(C)noc3C)CC2)c1,bindingdb_25324
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1F,bindingdb_403113
+C=CCNC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL401864
+COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccn1,bindingdb_672596
+CC(C)(O)Cn1nnnc1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648752
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070455
+Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1,CHEMBL3354987
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(O)C(F)(F)F)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183351
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2c(c1)OCO2,bindingdb_112102
+CC1CCc2ccccc2N1S(=O)(=O)c1ccc(O)cc1,CHEMBL204315
+CC(C)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4073435
+O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCC1CCCO1,CHEMBL1374573
+CCCCN(Cc1ccc(O)cc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL492845
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1,CHEMBL2070456
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(c1)CC(=O)N(c1cccc(C(=O)O)c1)C2,CHEMBL558662
+NS(=O)(=O)c1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846239
+COc1cccc(C(=O)Nc2ccc(Oc3cccc(O)c3)cc2)c1,CHEMBL4160251
+O=CN1CCC(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649253
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)(F)F,bindingdb_402138
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL2375952
+CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,DB01026
+NC(=O)CCN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645800
+Cc1cc(Oc2ccc3nc(COc4ccccc4C#N)n(C)c3c2)cc(C)c1N,CHEMBL4300524
+CCCCC12CCC(=O)C(Cl)=C1c1ccc(O)cc1C2,CHEMBL379109
+C[C@@H](c1c(Cl)cccc1C(F)(F)F)n1nc(-c2ccc(C(=O)O)cc2F)c2c(F)cccc21,bindingdb_649027
+Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1C(=O)O,CHEMBL495506
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(-c4ccc(=O)n(C)c4)cc2)[C@H]3C(C)C)cc1,bindingdb_271033
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)COC(C)(C)C)c1ccccc1CC2,CHEMBL3765243
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cn1,bindingdb_476142
+COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C,bindingdb_760431
+CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Nc2ccc([C@@H]3C[C@H]3c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)cc2)cc1,bindingdb_1018026
+Oc1cccc([C@H]2Oc3ccc(O)cc3[C@H]3CCC[C@H]32)c1,CHEMBL234633
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C#N)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL600244
+Oc1ccc2c(c1F)OCCC(c1ccc3c(c1)NCC3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403088
+CCS(=O)(=O)c1csc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)n1,bindingdb_646454
+COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c2c1,CHEMBL1320651
+O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N[C@H](c1ccccc1)CO3,CHEMBL250083
+N#Cc1c(Br)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12,bindingdb_999709
+CC(C)NC(=S)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL1910416
+CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3Br)cc21,CHEMBL132192
+Cc1ccc(Cn2ncc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)ncnc32)cc1,bindingdb_539993
+Cc1ccc2nc(CSc3nc(C)cc(C)c3C#N)[nH]c2c1,bindingdb_1000345
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H](C)C(C)(C)O)sc1-c1cnc(N[C@@H](C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1184229
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@@H]4C[C@@H]43)cc2)cc1,CHEMBL181862
+Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567028
+CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)nn(C)c1=O,bindingdb_965652
+COc1ccccc1NC(=O)Nc1cccnc1,bindingdb_91286
+COc1cc(OC)nc(NC(=O)C(C)C)n1,CHEMBL1547093
+O=C(CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1)N1CC(O)C1,CHEMBL4209808
+Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)O,CHEMBL214026
+O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1O,CHEMBL2441105
+N#Cc1ccc(C(O)(CO)C(F)(F)F)cc1C(F)(F)F,CHEMBL3818652
+O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cccnc1,bindingdb_999935
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)cc1,CHEMBL1447305
+Cc1cc(C#N)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206301
+Cc1cn(-c2ccc(CNS(=O)(=O)c3cc(F)ccc3F)cc2)c(C)n1,CHEMBL3086027
+NC(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CCS(=O)(=O)CC1,bindingdb_651411
+CN(C)c1ccc(C(C#N)c2ccccc2)nn1,bindingdb_999967
+CCCc1nn2ccc(-c3nc4ccccc4n3CCC)cc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3115242
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206296
+Cc1cc(C)cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)c1,CHEMBL4159849
+Oc1ccc2c(c1Cl)OCCC(c1ccc3c(c1)NCC3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403506
+COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2312113
+CC(=O)NC(C)c1nc(-c2ccc(OCC=C(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)no1,CHEMBL4101577
+O=C(c1ccccc1Cl)c1scnc1-c1cccc(Cl)c1,CHEMBL4294059
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ccn(CCC#N)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652431
+Oc1ccc(-c2[nH]c3ccccc3c2-c2ccc(O)cc2)cc1,CHEMBL200232
+COC(=O)c1ccc(-n2c(O)cc(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2O)cc1,bindingdb_45556
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1nccs1)O2,bindingdb_649267
+CCOc1ccc(-c2ccnc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1018618
+O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12,CHEMBL486176
+N#Cc1cccc(-c2cccc(S(=O)(=O)C3(c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C3)c2)c1,bindingdb_653744
+O=C(O)CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21,CHEMBL457184
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(O)c3)c3ccccc32)cc1,CHEMBL426294
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(O)CCC1)O2)C(F)(F)F,bindingdb_645687
+Oc1ccc2c(c1)OCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401871
+O=C1C(=O)N(CCN2CCOCC2)C(c2ccc(Cl)cc2)C1C(=O)c1cc2ccccc2o1,bindingdb_953759
+Oc1ccc2c3c(ccc2c1)-c1cc(F)cc(F)c1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1,CHEMBL1188097
+CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1F,CHEMBL3596618
+Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1Cc1ccc(C(=O)O)cc1,CHEMBL4227715
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1C[C@H]3CC[C@@H]1CN3C(=O)C1CCCC1)cn2C,bindingdb_646340
+CC(C)(C)OC(=O)n1c(-c2ccc(CCC(=O)O)cc2)cc2ccccc21,CHEMBL397612
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3C3CCCC3)sc3cc(O)ccc23)cc1,bindingdb_400960
+O=Cc1ccc2oc3nc4n(c(=O)c3c(=O)c2c1)CCCS4,CHEMBL1469743
+CCO[C@@H](Cc1ccc(OCc2nc(-c3ccsc3)oc2C)cc1)C(=O)O,CHEMBL1813004
+C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cnc(OCCNCCCF)c2F)N1CC1(F)CC1,bindingdb_402091
+C[C@]1(C(=O)O)CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_652567
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN(C)C)c(Cl)c1Cl,CHEMBL549562
+Cc1ccc(-c2ccc(C(C#Cc3ccccc3)/C=C\COc3ccc(OCC(=O)O)c(C)c3)cc2)s1,CHEMBL234906
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c([C@@H]2COCC[C@H]2C(=O)O)cc1F,bindingdb_645780
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)c1-c1ccc(CC(C)C(F)(F)F)cc1OC,bindingdb_1183801
+CC(C)[C@H]1c2ncc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123909
+CS(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL403666
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2C2CCCCC2)c(Cl)c1Cl)C(F)(F)F,CHEMBL4127892
+CCCCCc1nnc(NC(=O)Cc2cccs2)s1,CHEMBL1353227
+COCCn1c(C)c(C)c2c(NCCc3ccccc3)ncnc21,bindingdb_539977
+C=C(COc1ccc(Cl)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL513882
+COc1ccc(-c2cn3cc(C)ccc3n2)cc1F,bindingdb_55658
+O=C(CCNc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1,bindingdb_672399
+CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_649046
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1OC,CHEMBL3581690
+[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(O)cc3)C(C)(C)C2=O)cc1C(F)(F)F,bindingdb_475611
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1coc(CS(C)(=O)=O)n1,bindingdb_651858
+CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL482659
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403817
+COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1,CHEMBL3827820
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CCC[C@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183361
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2C(F)(F)F)cc1,CHEMBL2312717
+CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc12,CHEMBL1458873
+COc1cc([N+](=O)[O-])ccc1N=CCC(=O)c1cccs1,bindingdb_1000227
+Cc1c(F)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2OCC1,bindingdb_403173
+CSc1nc(SCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1172425
+CC(C)(C)Cc1c[nH]c(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)n1,CHEMBL1672352
+Cc1ccc(CN2CCn3nnnc3C2c2ccc(OC(C)C)cc2)o1,bindingdb_651349
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCc4ccccc4)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL556643
+CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361061
+NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)cc1,bindingdb_91216
+CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(CCc2ccccc2)c1C,CHEMBL1933081
+O=S(=O)(c1ccccc1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094373
+CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(N)=O,CHEMBL4160945
+Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCCC3)c2)c1,bindingdb_672659
+CCCCCCc1ccc(NC(=O)/C=C\C(=O)O)cc1,bindingdb_481742
+C[C@H](O)CNC(=O)Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_648502
+COc1ccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O,CHEMBL607090
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)ccc1F,CHEMBL3828487
+O=C(NC1CCCC1)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596603
+Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+](=O)[O-],bindingdb_112221
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc5c(c4)OCO5)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263753
+O=C1O[C@H]2C[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C[C@H]2O1,bindingdb_651393
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3CCC2)c(F)n1,bindingdb_403337
+CS(=O)(=O)NC(=O)c1ccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1,CHEMBL3823213
+C[C@H](Oc1ncc(NC(=O)Cc2ccncc2)cc1Cl)c1ccccc1,CHEMBL4163551
+C[C@H](O)Cn1ccc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_652342
+COc1ccccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1,CHEMBL2204045
+O=C([C@H]1C[C@@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(c2ccncc2)C1,bindingdb_651611
+CC[C@H](O)Cn1ccc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_653925
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC[C@@H]2CO)C3)CC1,bindingdb_647274
+CCCCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114109
+CCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114121
+COc1ccc(C(=O)Nc2cnc3c(c(C4[C@@H]5CC[C@H]4CN(C(=O)C4CCCC4)C5)cn3C)c2C)cc1C#N,bindingdb_646157
+CC(=O)NCCOc1cccc(Oc2ccc(CN(Cc3ccccc3)c3cccc(NS(C)(=O)=O)c3C)cc2)c1,CHEMBL185524
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3C(F)(F)F)cc21,CHEMBL203104
+C=C1c2ccccc2C(=O)N(C)c2ccc(C(C)C)cc21,CHEMBL2171915
+NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2,CHEMBL1460126
+CC(C)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,CHEMBL3261335
+N#Cc1ccc(CNC(=O)c2cc3c(n2Cc2ccccc2)CN(S(=O)(=O)c2ccccc2F)CC3)cc1,bindingdb_80773
+CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(Cl)cc1,bindingdb_1183277
+CCCc1ccccc1OCCCOc1ccc(OCC(=O)OC)cc1,CHEMBL213132
+CCOC(Cc1ccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c(Cc2ccccc2)c1)C(=O)O,bindingdb_988788
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCOCC2)cc1Cl,CHEMBL540471
+CN(CCOc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccc(CC(=O)O)cc2Cl)noc1-c1ccccc1,CHEMBL210057
+CN(Cc1cccc(F)c1)C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348911
+CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1cccc(C(=O)O)c1)c1ccccc1,CHEMBL3695853
+CC1(C)C(=O)N(c2cccc(F)c2)C(=O)c2ccccc21,CHEMBL479564
+CN(CC(O)c1cccc(O)c1)C(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_648556
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCOCC3)cc2C1=O,bindingdb_1127591
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cccnc4Cl)ccc3[nH]2)C1=O,CHEMBL3578289
+Oc1cc(Br)c2oc(-c3ccc(O)c(C(F)(F)F)c3)nc2c1,CHEMBL426626
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)cc1,bindingdb_998350
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_647115
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)c1ccccc1)O2,bindingdb_649558
+COc1ccc2c(-n3c(=O)n(Cc4cccc(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1946954
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OCC(C)(C)C(=O)O,CHEMBL190352
+CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1200384
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC(S(C)(=O)=O)C3)nc2CC2CCCCC2)c2ccccc12,bindingdb_647439
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3335623
+C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C23CCC(CC2)NC3=O)cc1,bindingdb_650111
+O=C(O)C1CCC(CF)(C(=O)N2CC[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_653375
+Cc1cc(C(=O)N(C)C)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206613
+CCCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1,CHEMBL561245
+CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL477119
+Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1,bindingdb_45554
+COc1cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc(OC)c1,CHEMBL3695779
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2c(OCCCCCN3CCCCC3)cccc12,CHEMBL241257
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCC(=O)N1,bindingdb_646636
+CC1(C)OCC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,CHEMBL487727
+CCOCCCNC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,bindingdb_539824
+COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(CF)COC1,bindingdb_401702
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCCCCCNC(=O)CCC6=[N+]7C(=Cc8c(C)cc(C)n8[B-]7(F)F)C=C6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4067818
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1cc(C(F)(F)F)ccn1,bindingdb_1143278
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1,bindingdb_404184
+COc1cc(C2C3=C(N=C(C)C2C#N)c2ccccc2C3=O)cc(OC)c1OC,bindingdb_584329
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CNS(C)(=O)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647879
+CCOC(=O)c1cnc(N2CCN(c3ccc(-c4nc(C(N)=O)co4)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143459
+COc1ccccc1-[n+]1c(C)cc(/C=C2\Sc3ccccc3N2C)cc1C,bindingdb_539985
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@](C)(c2ccc(OCCN3CC(CF)C3)cc2)N1CC1(F)CC1,bindingdb_403259
+N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL557
+Oc1ccc2c(c1)CCCC(C1CCC(F)(F)CC1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403811
+CC(C)S(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1,CHEMBL3358951
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(C)=O)c2)cc1,bindingdb_206577
+CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br,CHEMBL1575787
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,CHEMBL196374
+Cc1nn(Cc2c[nH]nn2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168438
+COCCOc1c(OC)nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_54991
+O=c1cc(C(F)(F)F)c2cc(NCC(F)(F)F)ccc2[nH]1,CHEMBL3706907
+COc1ccc(OC(=O)N(CCCCCc2coc(-c3ccc(C)cc3)n2)CC(=O)O)cc1,CHEMBL482334
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cncnc4)cccc3[nH]2)C1=O,CHEMBL3578301
+Cc1cc(SC(Cc2ccc(-c3ccccc3)cc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035064
+CC[C@H]1c2ncc(C(=O)N[C@@H](COC)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_270546
+NCCc1c[nH]c2ccc(O)cc12,3adv
+C=CCC1Oc2cccc(OC)c2-c2ccc3[nH]c(=O)cc(C)c3c21,CHEMBL258384
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1,CHEMBL4176512
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1cnc(C)n1C,bindingdb_653712
+CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)N(C)C)cc2)c1-c1ccccc1,CHEMBL194774
+O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649173
+CN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168588
+COc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1,CHEMBL396231
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CCC(F)(F)F)cc1OC,bindingdb_1183719
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CCC#N,bindingdb_402539
+Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4237295
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)C(=O)O)cn1,CHEMBL218117
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O,CHEMBL3590270
+Cc1noc(C)c1C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645359
+CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL249864
+COc1cccc(-c2nc3cc(C)ccc3o2)c1,bindingdb_1000348
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(Cl)cc2)[C@H]3C(C)C)cc1,bindingdb_271190
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)CC1,bindingdb_647408
+Cc1cc(OCC[C@@H](C)Oc2ccc(OC(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)O,CHEMBL214921
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)cc1,CHEMBL491142
+CCc1c(C)nc2c(nc(CC)n2[C@H]2CCc3cc(-c4ccccc4-c4nnn[nH]4)ccc32)c1C,CHEMBL1801737
+CC(C)Nc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,bindingdb_1054278
+CC(C)n1nc(C(=O)O)cc1C1CC1c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl,CHEMBL3822798
+CN1CC2N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_649854
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C)c2)cc1,CHEMBL3609399
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccccc1F,bindingdb_653874
+COc1ccc(-c2nc(COc3ccc4c(c3)CC(C(=O)O)O4)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081207
+CCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596629
+O=C1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc(Cl)c(Cl)c1,bindingdb_29779
+c1ccc(Nc2nc(-c3ccccc3)ns2)cc1,bindingdb_1000312
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC3CCCC3)ccc2O1,bindingdb_646310
+CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1,bindingdb_25328
+Cc1ccc(CC2=C(c3ccc(OCCN4CCCC4)cc3)c3ccccc3OCC2)cc1,CHEMBL469316
+FC(F)(F)c1ccc(/C=C\c2cc(Cl)cc(Cl)c2)cc1,CHEMBL179770
+CCCCC(Cc1ccc(OCCC2CCCCC2)c(OCCc2ccccc2)c1)C(=O)O,CHEMBL1819482
+CC(C)(C)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C(O)(C(F)(F)F)C(F)(F)F)c1,CHEMBL4126690
+CC(=O)NC[C@H]1Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N(S(=O)(=O)c2ccc(F)cc2)[C@@H]1C,bindingdb_646489
+O=C(O)c1cc(F)c(-c2nn(Cc3cc(Cl)cc(Cl)c3)c3cccc(F)c23)cc1O,bindingdb_650897
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(NC(=O)c3cc(C#N)ccn3)ncc21,CHEMBL4279388
+CC1(C)OCC(=O)Nc2ccc(-c3ccc(F)cc3)cc21,CHEMBL486910
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(NS(C)(=O)=O)cc1,bindingdb_653045
+CCCCCC12CCC(=O)C=C1c1ccc(O)cc1C2,CHEMBL381299
+CS(=O)(=O)Nc1cccc2c(-c3ccc(F)cc3)c[nH]c12,CHEMBL3605934
+Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,CHEMBL278703
+CC(CO)C/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL4091901
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C(F)(F)F)cccc2[nH]1)C(F)(F)F,CHEMBL1911549
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCCc3ccccc3)ccc12,bindingdb_1005024
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_653789
+C[C@]1(C(=O)N2CCCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC[C@H](C(=O)O)CC1,bindingdb_651488
+c1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1,bindingdb_672424
+COCCC(=O)Oc1ccc2c(Oc3ccc(/C=C/C(=O)O)cc3)c(-c3ccccc3C(C)C)sc2c1,bindingdb_401567
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(CCO)C3)c1Cl)n2C,bindingdb_645543
+CCCc1nnc(/C=C/c2ccc(C3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)o1,CHEMBL4086181
+CC(C)Oc1cc(Br)cc(-c2ccsc2C(=O)c2ccccc2Cl)c1,CHEMBL4292343
+Cc1ccc(C(=O)ONc2ccc(N=NC(=O)c3ccccc3O)cc2)cc1,CHEMBL1509453
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CCC(C)(C(=O)O)O2,CHEMBL114286
+COc1cccc(N2CC(NC(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2=O)c1,bindingdb_648601
+COc1ccc(CCNC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1,bindingdb_292569
+CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1cccc2c1ccn2CC(=O)O,CHEMBL201653
+CC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,CHEMBL3973383
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H](O)C(F)(F)F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645867
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cc(-c2cn(C)nc2C)on1,bindingdb_654481
+CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1,bindingdb_672643
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(C)C(C)C3)c1Cl)n2C,bindingdb_649175
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(CC3CC3)o2)C1=O,CHEMBL3234862
+Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccccc3)nc12,CHEMBL1565327
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(C#N)cc2)c(C)c1,CHEMBL1668068
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)N(CC(F)(F)F)C(C)(C)C)c3ccccc23)CC1,bindingdb_648616
+CNC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270635
+CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,bindingdb_652736
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CN,bindingdb_417632
+CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183162
+Cc1ccc(C(=O)C2CC2)c(C)c1,bindingdb_672492
+Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C)ccc1OC(C)(C)C(=O)O,CHEMBL461533
+CC1(C)OC(S)=Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL280613
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1,CHEMBL360992
+C=CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL266282
+COc1cc(C)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220060
+CCCCN(Cc1ccc(O)c(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL492440
+O=C(Nc1ccon1)c1cnc2sccn2c1=O,bindingdb_91235
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(O)cc3)C2)c1)C(=O)O,CHEMBL520305
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)c(C)c3)oc2C)c1)C(=O)O,CHEMBL265364
+COc1ccc(C(=O)c2cc(C)cn2C/C=C/c2ccc(Cl)cc2C(=O)NS(C)(=O)=O)cc1,CHEMBL1641708
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccc(Cl)cc3)CCC[C@@H]2C1,CHEMBL386679
+CC(Cc1ccc(O)cc1)c1ccc(O)cn1,CHEMBL556307
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)cc1,CHEMBL1164858
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C,bindingdb_206470
+O=C1C(c2ccc(O)cc2)=C(Br)c2cc(O)ccc21,CHEMBL363872
+COc1cc(C2c3c(cc(C)oc3=O)OC(=N)C2C#N)cc2c1OCO2,bindingdb_831482
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc([N+](=O)[O-])cc3)C2)cc1,CHEMBL247634
+Oc1cccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCCC3)c(Br)c2)c1,CHEMBL125362
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315064
+Cc1ccc(C)c(-c2csc(N3CCOCC3)n2)c1,CHEMBL3323472
+CCC(O)(c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F,CHEMBL3818789
+O=C(Cc1ccc(C(F)(F)F)cc1)OCc1ccc(SCc2ccccc2C(=O)O)cc1,bindingdb_988644
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCCn3cccn3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650715
+CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,CHEMBL264374
+CN(CC(F)(F)F)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168505
+CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)CCC(C(=O)O)O2,CHEMBL323008
+C=C1C(C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O,bindingdb_69314
+N#Cc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2,CHEMBL3596277
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21,CHEMBL199324
+COc1cccc2c1CCN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c1)C2,bindingdb_598238
+N#Cc1ccc2c(c1)CC(c1ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc1)(S(=O)(=O)c1ccc(F)cc1)C2,bindingdb_653417
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1,bindingdb_650110
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(C#N)cc2C1=O,bindingdb_1127432
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)cn1,bindingdb_1130800
+CC(C)NCC(O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1,bindingdb_760568
+Cc1cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc2[nH]1,bindingdb_402956
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL1276308
+Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCC(C)CC1,CHEMBL2070091
+CS(=O)(=O)c1cc(F)cc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)c1,bindingdb_125954
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1,CHEMBL593472
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)o1,CHEMBL1365444
+O=C(CSc1ccc(-c2cccs2)nn1)c1cccs1,bindingdb_953904
+CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCC[C@@]2(C)O[C@@H]12)Oc1c(F)cc(F)cc1-3,CHEMBL507701
+CCCc1ccc(CC(Oc2ccc(Cl)cc2)C(=O)O)cc1,CHEMBL469937
+Cc1cc(SC(CCCCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037581
+CCCc1c(OCCCN(C)c2ccc(CC(=O)O)c(C)c2)ccc2c(C(F)(F)F)noc12,CHEMBL427040
+COc1ccc(CCOC(=O)Cc2cccc(SCc3ccccc3C(=O)O)c2)cc1OC,bindingdb_988786
+O=C(O)c1cc([C@@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017437
+CCOC(=O)C1=c2/c(=C/c3ccccc3OC)c(N)c(C#N)n2C(=O)C(c2ccccc2OC)S1,CHEMBL3213380
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CNC[C@H]1CF,bindingdb_653479
+COc1ccc(C=C2CCc3ccccc3C2=O)cc1,bindingdb_69276
+CCCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL229836
+CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349034
+CC(C)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647109
+COc1cc(-c2nc(C)c(C(C)=O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220151
+CC(C)Oc1cc(C(=O)O)nc2ccc(CCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018599
+CC(C)(Oc1ccc(COc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204692
+CN1CC(C(=O)NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1=O,bindingdb_654032
+COC(=O)c1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1,CHEMBL1402650
+COC(=O)c1c(NC(=O)CC2SCC(C(=O)OC)NC2=O)sc2c1CCCC2,bindingdb_108521
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F,CHEMBL392501
+Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCCCC3)c2)c1,CHEMBL460197
+COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)c(O)c4)c(C)c3)cc2C)cc1O,CHEMBL3234274
+O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc32)nc1,bindingdb_649211
+CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CCC2)C1CCS(=O)(=O)C1,CHEMBL1577661
+Cc1cc(C)c(S(=O)(=O)N=C2C=CC(=O)C(Cl)=C2)c(C)c1,bindingdb_831081
+CC(F)(F)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_401129
+O=C(O)/C=C/c1ccc(Cc2c(-c3ccc(F)cc3Cl)c(=O)oc3cc(O)ccc23)cc1,CHEMBL3427395
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc(O)c2O)cc1,bindingdb_270820
+CC1CCCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)C1C,bindingdb_650681
+CCN(CC)[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C)c2)C1,bindingdb_998340
+Cc1onc(-c2ccccc2Cl)c1C(=O)ON=C(N)c1ccc([N+](=O)[O-])o1,bindingdb_292604
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@H](C)c2cc(Br)ccc2F)[C@H]3C(C)C)cc1,bindingdb_271027
+N#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL4085580
+C[C@@H]1C[C@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O,CHEMBL1257895
+COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3,CHEMBL298687
+C[C@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_649511
+Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)sc2c1,CHEMBL226269
+CCOC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651453
+CC1(COC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL195184
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCCC(F)(F)F)cc1OC,bindingdb_1183703
+CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4NC[C@@H]23)CC1,bindingdb_651817
+O/N=C/c1cc(-c2ccc(O)cc2)ccc1O,CHEMBL480420
+CCCCO/N=C/c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3397553
+COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CHEMBL1525824
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CC(=O)O)O2,bindingdb_646369
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@H](C)c3ccccc3)c(Cl)c2)cc1,CHEMBL4164670
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3CCCC3=O)c2=O)nc1,bindingdb_653734
+CS(=O)(=O)c1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1,CHEMBL3764890
+CC1(C)CC(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)=CC[C@H]1C(=O)O,bindingdb_647095
+CCC/N=C(\S)Nc1cc(Cl)ccc1C,CHEMBL199938
+O=c1c2ccc(O)cc2c(-c2ccccc2)cn1-c1ccc(O)cc1,bindingdb_1050249
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(F)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640847
+O=C(O)COCc1ccc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)nc1,bindingdb_1019119
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_650489
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2348875
+CS(=O)(=O)c1cccc(N2CCN(CC3(F)CCN(CC(F)(F)F)CC3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1130832
+CC(C)[C@H]1c2ncc(C(=O)NCC3CCS(=O)(=O)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123949
+Cc1cc(-c2ccn(C[C@H](C)NC(=O)c3cc(-c4ccco4)n[nH]3)n2)ccc1C#N,bindingdb_475831
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@@H]2COC[C@@H]2F)C3)CC1,bindingdb_647597
+C[C@H](NC(=O)N(Cc1cccc2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961379
+Nc1nonc1NC(=O)CSc1ncccc1C(=O)O,CHEMBL1599073
+Cc1cc(C(=O)O)ccc1-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc21,CHEMBL3920454
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1cccnc1,bindingdb_654579
+Cc1cc(=O)[nH]c(SCC(=O)Nc2nc3c(s2)CCCC3)n1,bindingdb_831593
+CCCS(=O)(=O)Nc1ccc(C)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1,bindingdb_257875
+CC[C@@H](Oc1cccc(-n2c(C)c(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,CHEMBL490029
+CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1,bindingdb_511452
+Oc1ccc(-c2ccc3cc(O)ccc3n2)cc1,CHEMBL59438
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,DB02709
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264925
+CC(C)CN(Cc1ccc(-c2ccc(N)nc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263704
+Cc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_401784
+CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,CHEMBL196003
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3nc(C)n(C)c23)cc1,bindingdb_1127427
+CC(C)(C)NC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645417
+O=C1CCCC2=C1C(c1ccco1)Nc1ccc3ccccc3c12,CHEMBL1391256
+Cn1cnc(-c2ccnc(NC(N)=O)c2)c1-c1ccc(F)cc1,CHEMBL3643695
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)cs2)n1)C(=O)O,CHEMBL3091498
+CCCc1cc(-c2nc3c(s2)CCCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL2113263
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3C3CCNCC3)c2Cl)cc1,bindingdb_168519
+C[C@@H](O)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401080
+O=C(NCc1ccc(C(=O)O)cc1)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1,bindingdb_651415
+CCCc1c(OCCCN(C)c2ccc(CC(=O)O)c(C(F)(F)F)c2)ccc2c(C(F)(F)F)noc12,CHEMBL382789
+N#Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(Cc5ccccc5)Cc5ccccc5)cc2)(C4)C3)cc1,CHEMBL3397791
+Oc1ccc2c3c(cnc2c1)-c1ccc(Cl)cc1OC3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050053
+CC(C)[C@@]1(C(=O)O)Cc2cc(OCCCOc3cc(C(F)(F)F)ccc3Cl)ccc2O1,CHEMBL426269
+CCn1nc(C(=O)NC[C@H]2CC[C@@H](S(C)(=O)=O)CN2Br)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184077
+CCN(CC)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,bindingdb_964721
+CCCc1cc(C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCCN1CCCc2cc(OC(C)(C)C(=O)O)ccc21,CHEMBL443243
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)cc1Cl,bindingdb_998390
+CCCOC(=O)N1CCc2c(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc(CCC(=O)O)c2C1,CHEMBL219836
+CCCCCCSc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1,CHEMBL541481
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)cc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_401555
+CCOc1ccc(C2=C(c3cnc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3CCC2)c(F)c1F,bindingdb_404021
+COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1,CHEMBL3585580
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(C)c3)C[C@@]21C,CHEMBL222900
+CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1OC(F)(F)F,CHEMBL2203830
+C[C@@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CC(=O)O,CHEMBL4210212
+CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270751
+Cc1cc(Br)ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1C,bindingdb_292655
+C[C@@H](CN1[C@H](c2c(F)cnc(OCCNCCCF)c2Cl)c2[nH]c3ccccc3c2C[C@H]1C(F)(F)F)C(=O)O,bindingdb_402588
+CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL199238
+CCC1=C2c3ccc4[nH]nnc4c3CC2(CC)CCC1=O,CHEMBL213481
+CC(C)CN(Cc1ccc(N2CCC3(COC3)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650446
+Oc1ccc2c(c1)OCCC(c1ccc3c(c1)NCC3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401587
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(/C=C/C(=O)O)cc1,CHEMBL205434
+O=C(NCC1CCCO1)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1390729
+Oc1ccc2c(c1)CCCC(c1ccc3cc[nH]c3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401101
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)cc1)Oc1ccc(Cl)cc1-3,CHEMBL322576
+Cc1nc(-c2ccc(Cl)cc2)sc1CNC1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934470
+Cc1nn(C2CCN(C)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168569
+O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL386307
+Cc1cc(C)c(S(=O)(=O)NC(Cn2cc(C#N)c3ccccc32)C(F)(F)F)c(C)c1,CHEMBL3093456
+O=S(=O)(Cc1ccccc1Cl)Nc1ccc2ncn(Cc3ccccc3)c2c1,CHEMBL457296
+O=c1c2c(O)cc(O)cc2c(-c2ccccc2)cn1-c1ccc(O)cc1,bindingdb_1157632
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4159869
+Oc1ccc(C2=C(c3ccc(OCCN4CCC4)cc3)c3ccccc3OCC2)cc1,CHEMBL470993
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1C(=O)C1CCC(C(F)(F)F)CC1,bindingdb_1130917
+CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(-c2c(Cl)cccc2Cl)n1,CHEMBL3360972
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,CHEMBL595007
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CC(=O)O)cc2)c1,bindingdb_757631
+CC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)C2C(C)C)nc1C(F)(F)F,CHEMBL3673708
+CC(C)(Oc1ccc(C(=O)c2cc3ccccc3oc2=O)cc1)C(=O)O,CHEMBL4214449
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(F)c3)[C@H](c3ccccc3)C2)c1,bindingdb_108440
+COCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C,bindingdb_55591
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3ccc(F)c(C#N)c3)cnc21,bindingdb_647162
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1C#N,bindingdb_1183629
+CCOc1ccc(C2=C(c3ccc(N[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)n1,bindingdb_402046
+CS(=O)(=O)NC1CC2(C1)CC(C(=O)N1CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]13)C2,bindingdb_647898
+COCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C,bindingdb_760294
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(C[S@@](C)(=N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653747
+CN1C(=O)CC[C@H]1C(=O)N1CCC2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_653553
+COc1ccc2c(c1)CCCC2=NNC(=O)c1ccoc1C,bindingdb_69087
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12,bindingdb_1005027
+N#Cc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1,CHEMBL398814
+C=C1c2ccccc2C(=O)N(C)c2ccc(CC)cc21,CHEMBL2171912
+O=C(c1cocn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3736457
+C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1,bindingdb_658460
+Cc1cc(C#N)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(O)CC3)c1Cl)n2C,bindingdb_206283
+CN(Cc1ccccc1F)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349027
+FC(F)(F)c1cccc(/C=C\c2cc(Cl)cc(Cl)c2)c1,CHEMBL179821
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCC4CC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650502
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C3CCCC3)C[C@@H]1C)cn2C,bindingdb_647574
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H](NC(C)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645202
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4C#N)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3902725
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O,CHEMBL490395
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)NC2CCNCC2(F)F)C3)CC1,bindingdb_649715
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OCc3ccccc3)CC(C)(C)N4)cccc12,CHEMBL1762206
+Oc1c(N=Nc2ccccc2)sc2ccccc12,bindingdb_672461
+CSc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CC(=O)O)c2)cc1,CHEMBL3393182
+N#Cc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3S2(=O)=O)cc1C(F)(F)F,CHEMBL3917372
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@@H]1c1ccccc1,bindingdb_1000122
+C=CCN1C(=O)NC(=O)C(=C(CC)NCc2cccnc2)C1=O,bindingdb_830852
+CCc1c(O)ccc2c1c(=O)oc1c(F)c(O)ccc12,CHEMBL206727
+Oc1ccc([C@H]2CCc3ccc(O)cc3O2)cc1,CHEMBL463804
+O=C(Cc1ccc(S(=O)(=O)C2CCCCC2)cc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,CHEMBL3105818
+Cc1c(CCCC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3126375
+Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(CC(=O)O)c2=O)cc1,CHEMBL147086
+CO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL397920
+CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227695
+CCOc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(OC)c2)sc1C,CHEMBL220152
+CC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,CHEMBL3673674
+CC(C)(C)OC(=O)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)CC1,bindingdb_375327
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1C,CHEMBL3581678
+Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,DB00239
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)N1CCOCC1)O2,bindingdb_648878
+Cc1cc(OC(F)(F)F)cc2c1c(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)cn2C,bindingdb_206669
+Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12,CHEMBL1625258
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(-c6ccncc6F)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1018718
+CN(C)C(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649171
+CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)NC(C)(C)C)cc21,CHEMBL3763612
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1F,bindingdb_1054250
+Cc1cc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL221399
+O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1,bindingdb_953751
+Cc1nc(C(F)(F)F)sc1CSc1ccc2c(ccn2CC(=O)O)c1,CHEMBL231690
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1,CHEMBL1528123
+CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL136322
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL362623
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)O)CC3)c1Cl)n2C,bindingdb_206436
+Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,bindingdb_672396
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(C#N)CCOCC1)O2)C(F)(F)F,bindingdb_647722
+CC(C)(C)C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1,CHEMBL214374
+CCCCCCc1ccc(NC(=O)C=C(C)C)cc1,CHEMBL394061
+CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,CHEMBL1624615
+O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CHEMBL44
+Cc1nc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc2o1,bindingdb_401289
+CN1CC2N(C(=O)C3CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2ccccc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_647795
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827692
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)Oc3ccccc3Cl)ccc2O1,bindingdb_652078
+COc1ccc2c(n1)CCN(C(=O)N1CC(CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4094983
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(C3CC3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126856
+Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1,CHEMBL3139494
+Cc1cc(/C=C/C(=O)c2cc3ccccc3s2)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1003744
+COc1ccc2[nH]cc(CCNC(C)=O)c2c1,DB01065
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)CF,bindingdb_402591
+COc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC,bindingdb_292592
+COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)c3c4ccccc4n(C)c3c2=O)cc1,CHEMBL1528600
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CC2)c2ccccc12)C(F)(F)F,CHEMBL4128076
+C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccc3c(c2)OCO3)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649612
+CCC(O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,bindingdb_124662
+CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C,bindingdb_1074175
+O=C(O)c1cc([C@@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1018978
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3-c3ccccc3)ccc21,CHEMBL200610
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)CC1c1ccc(Br)cc1,bindingdb_68688
+CCc1cc(OCCc2nc(-c3ccc([N+](=O)[O-])cc3)oc2C)ncc1CCC(=O)O,bindingdb_988796
+C[C@@H]1c2c(ccc(O)c2F)O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL181369
+O=c1[nH]c2ccccc2nc1-c1cccs1,bindingdb_982754
+Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(Br)c2c1,CHEMBL194265
+Oc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1,CHEMBL3234624
+CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2,bindingdb_112108
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@H]2CCCC2(F)F)cc1C(F)(F)F,bindingdb_1184250
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc2c(ccc[n+]2[O-])c1,bindingdb_511724
+Cc1c(O)cc(C#N)c2cc(-c3ccc(O)c(F)c3)ccc12,CHEMBL371126
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)nc2cc(C#N)ccc21,bindingdb_649394
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)(F)F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403894
+CCCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL332465
+Cc1cc(C)cc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1,CHEMBL3623113
+COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C,CHEMBL267431
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CCO)cc2)c1,CHEMBL226096
+CN(C(=O)C1CCC(=O)N(Cc2cccc(F)c2)C1)C1CCCCC1,bindingdb_55662
+CC(C)(C)c1nnc2sc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)nn2c1=O,CHEMBL3189499
+O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,CHEMBL3589346
+Cc1nn(CC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-],bindingdb_292563
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OC(F)(F)F)cc2)C1=O,CHEMBL3589802
+O=C(O)c1cc(OCC23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(F)(F)F)c1,bindingdb_1018044
+Cc1cc(C(F)(F)F)cc2c1c(Cc1c(Cl)ncc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)cn2C,bindingdb_206675
+CCCc1c(OCCCn2ccc3cc(C(=O)O)ccc32)ccc2c(C(F)(F)F)noc12,CHEMBL377218
+COC1(C(=O)O)CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1,bindingdb_650572
+CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4cc5cc(F)ccc5[nH]4)ccc1c23,CHEMBL3234027
+COc1ccc2c(c1)SCc1c-2n(C)c2ccc(O)cc12,CHEMBL207339
+CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL201036
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3cccc(Cl)c3)n2)c1,CHEMBL1087712
+COc1cc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)ccc1O,CHEMBL429446
+O=C(O)[C@H](CCOc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL2375950
+Cc1cc(-c2nc3ccccc3s2)ccc1N,bindingdb_672556
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCC(F)(F)F)cs2)cc1,CHEMBL4167788
+c1ccc(-c2csc(Nc3ccccn3)n2)cc1,bindingdb_1000056
+COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2,bindingdb_672650
+CCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL589613
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1CC(F)(F)F,bindingdb_648201
+COc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1,bindingdb_760210
+COc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1,bindingdb_982665
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43/C=C\Br)C1CC[C@@H]2O,CHEMBL379441
+O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)cc1[N+](=O)[O-],CHEMBL394788
+COc1cccc2cc(C(=O)C3C(=O)C(=O)N(c4cc(C)on4)C3c3cccs3)oc12,bindingdb_87240
+CS(=O)(=O)N1CC(C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_652543
+CCOC(=O)Cn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O,CHEMBL1536779
+CCN(c1ccccc1)S(=O)(=O)c1ccc(O)c(C)c1,CHEMBL202691
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2cccc(CO)c2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL396220
+Cc1cc(Sc2cc(C#CCN3CCOCC3)nc(C#Cc3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL250673
+COc1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(O)cc3)c(C)c2)c1,CHEMBL3970606
+CC1=C2c3ccc(O)cc3C[C@@]23CC[C@H](C3)C1=O,CHEMBL385693
+CCn1cc(S(=O)(=O)N2C[C@H](CCc3n[nH]c(=O)n3C)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647057
+COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605930
+Cc1cc(O)ccc1-n1cnc2cc(O)cc(O)c2c1=O,CHEMBL203283
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(F)c1,bindingdb_401147
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1182748
+COC(=O)CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C,CHEMBL315931
+Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,CHEMBL1559976
+CC(=O)Nc1ccc(N=Cc2nc(-c3ccc(C)cc3)oc2O)cc1,bindingdb_401423
+CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@](C)(c3ccccc3)C2)CC1,bindingdb_654154
+Cn1c2ccccc2c(=O)c2cc(C#CC3(O)CCCCC3)ccc21,bindingdb_539811
+CCOc1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1,bindingdb_982691
+Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3C[C@@H](C(F)(F)F)C[C@@H]32)cc1,CHEMBL391532
+CC(=O)O[C@@H]1CN(C(C)=O)CC[C@H]1CNC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C,bindingdb_123884
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCC[C@H]1n1ccnc1,bindingdb_653305
+Cc1c(/N=C2\OC[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484919
+CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)c1)C(=O)O,CHEMBL382655
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12,CHEMBL3678150
+CN1CCN(c2nc(C(=O)O)cc3ccc(/C=C/C45CCC(OCc6c(-c7c(Cl)cncc7Cl)noc6C6CC6)(CC4)CC5)cc23)CC1,bindingdb_1017410
+Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2N2CCOCC2)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1002089
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CN(C(=O)OC)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55086
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL407672
+O=C(O)c1cc2c(cc1O)CCc1nc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc1O2,bindingdb_1018234
+CC(Cc1ccc(O)cc1)c1ccc(O)cc1,CHEMBL554507
+COc1ccc(C(C)C(=O)c2ccc(O)cc2O)cc1,CHEMBL1373918
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)c(C2CC2)n1,bindingdb_1130740
+CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)O)cc3c2Cl)ccc1O,CHEMBL203777
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cccnc2)cc1,CHEMBL3139587
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2ccc3c(c2)OC(F)(F)O3)cc1,bindingdb_1127370
+COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_402851
+Cc1csc2nc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12,CHEMBL1324414
+CCOc1ccc(NC(=O)COC(=O)C2CCC(=O)N2)c([N+](=O)[O-])c1,bindingdb_1685
+O=C(CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1)Nc1ccncc1,CHEMBL4216643
+CN(C)Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1,CHEMBL604703
+CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL200162
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccccc2)cc1)Cc1cccc(CCCC(=O)NCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@@H]2[C@@H]3C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)c1,CHEMBL263506
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3cccc(F)c3)CCC[C@@H]2C1,CHEMBL217156
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-],CHEMBL2348898
+CCO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL244714
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183365
+Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2Br)s1,CHEMBL4226392
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCc3nn[nH]n3)c(S(C)(=N)=O)c2)cc1,bindingdb_55013
+CCOc1cnc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017379
+CC(C)(Cc1nnc(-c2nc(CC3CCC3)c(-c3ccc(S(=O)(=O)NCC(F)(F)F)c(Cl)c3Cl)s2)o1)C(=O)O,bindingdb_652959
+C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,DB07454
+Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)no2)ccc1OCC(=O)O,CHEMBL407201
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O,CHEMBL3403704
+CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL2298601
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ccc(C(C)(C)C)cc5)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017761
+COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C(C)C)C2)ccc1C(=O)O,CHEMBL3263759
+Cc1csc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)n1,CHEMBL2204055
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)cn3)[C@H](c3ccccc3)C2)c1,bindingdb_1004471
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1,bindingdb_1004942
+C=C1C=C(C)CC(C)(C)C1Cc1ccc([N+](=O)[O-])cc1,CHEMBL50023
+CC(C)[C@@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_999720
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@]1(C)C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N21,CHEMBL188261
+CCc1ccc(-c2nn(-c3ccccc3)cc2CSC(=N)N)cc1,bindingdb_1016130
+Cc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)cn1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184024
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1183967
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c2nonc12,CHEMBL3901789
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C(C)(C)C)cc3Cl)cc2O1,CHEMBL447190
+CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1,CHEMBL1358911
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)NC)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_648402
+COc1cccc(-c2nc(C)c(COc3ccc(C(=O)O)cc3)o2)c1,CHEMBL4203307
+COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(C#N)ccc2[nH]1)C(F)(F)F,CHEMBL1911650
+O=C(O)c1cccc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)OC4)n2)c1,bindingdb_1017454
+C[C@H]1C[C@H](n2cnnc2)CCN1c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1,bindingdb_646782
+Cc1nn(CC2CCOCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168559
+Cc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2cccs2)no1,bindingdb_953853
+COc1ccc(-c2cn(-c3ccc(O)cc3)c(=O)c3ccc(O)cc23)cc1,bindingdb_1069079
+Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc(/C=C/C(=O)O)cc1Cl,CHEMBL554740
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCCC(C)(C)C)C(=O)CO,CHEMBL501474
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl,CHEMBL229860
+CCOC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2cn[nH]c21,bindingdb_1018485
+COC(c1ccc(Br)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,CHEMBL3103193
+C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H]5C(=O)CC[C@@]43C[C@@H]5O)[C@@H]1CC[C@@H]2O,CHEMBL245577
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]6[C@H]45)cc3)C[C@@]21C,CHEMBL414041
+C[C@]12CCC(=O)C=C1C[C@@H](CCCc1cccc(OCCCC(=O)O)c1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL237971
+Cc1c(S(=O)(=O)NC(C)(C)C)ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c1OC(F)F,CHEMBL4130056
+CN(C)S(=O)(=O)c1cccc(N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)c1,bindingdb_645934
+O=C(N[C@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1,bindingdb_648775
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)C4CCCC4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263827
+CNS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270526
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Sc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_430566
+O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12,DB06732
+OC1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(F)cc21,CHEMBL3682515
+O=S(=O)(N=C(Sc1ccccc1)c1ccccc1)c1ccccc1,bindingdb_401254
+COc1ccc(-n2nc3c(N4CCC(C(=O)NCc5ccccc5C)CC4)nnc(C)c3c2C)cc1,CHEMBL1407986
+CNC(=O)c1ccc(F)c(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc4c3ccn4C)cc2)c1,CHEMBL3793917
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4227729
+CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645667
+O=C(Cc1cccnc1)N[C@H]1C[C@@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652870
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(CO[C@H]2CC[C@@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206240
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C(C)C)cc4)oc3C)c2)cc1,CHEMBL1090878
+COc1nc2ccccc2cc1C(O)CC#CCCCC(=O)[O-],bindingdb_122671
+COC(=O)[C@](C)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccc(F)cc1,bindingdb_757515
+CN1C(=O)CCN1C(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649335
+CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1(OC)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_646750
+O=C(O)c1ccc2c(c1)CCCC(c1ccc3ocnc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403759
+COc1cc(OC)cc(-c2coc3cc(O)ccc3c2=O)c1,CHEMBL575075
+Cc1ccc(N=Nc2ccc(O)c(/C=N\NC(=O)c3ccc(N)cc3)c2)cc1C,CHEMBL3196191
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CN(C)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1182856
+CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3916286
+O=C(O)CC1=C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21,CHEMBL457194
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1182730
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1C[C@@H](O)[C@@H](O)C1,bindingdb_647576
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1,CHEMBL3605080
+COc1ccc(F)cc1C(C)(C)CC(O)(c1ccccc1)C(F)(F)F,CHEMBL236403
+O=C(NCC1CCS(=O)(=O)CC1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651707
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(N)CCCC1)O2)C(F)(F)F,bindingdb_648292
+CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O,CHEMBL3613426
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3SCC2)ccc1Cl,bindingdb_403712
+CC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL248324
+COC(=O)CCNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646401
+Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@H](C(=O)O)n2cccc2)cc1,CHEMBL477094
+CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O,CHEMBL1205188
+COc1ccc(OC)c(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)c1,CHEMBL1619915
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3SCC2)ccc1Cl,bindingdb_402885
+COc1cccc(S(=O)(=O)Nc2ccc(-c3ccc4c(cnn4-c4ccc(F)cc4)c3)c(C(F)(F)F)c2)c1,CHEMBL1084013
+CCC12CCC(=O)C=C1c1ccc3[nH]nnc3c1C2,CHEMBL438616
+COc1cccc2c1C=C(C(=O)c1ccc(O)cc1O)CO2,CHEMBL4089646
+O=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1,CHEMBL3263248
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cc[n+]([O-])cc2)c(F)c1,bindingdb_511791
+COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12,CHEMBL2441817
+CC1NC(=O)C(c2ccc(F)cc2)=C1c1cc(Cl)c2c(c1)NC(=O)CO2,CHEMBL2419300
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(OCc2ccc(S(C)(=O)=O)cc2)c1,CHEMBL606044
+Cc1ccc(-c2cn3cccnc3n2)cc1,bindingdb_999925
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)c1ccc(=O)[nH]c1,bindingdb_650590
+COCCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C,CHEMBL495817
+CCc1cc(OCCc2nc(-c3ccc(-c4nnn[nH]4)cc3)oc2C)ccc1CCC(=O)O,bindingdb_1003764
+Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(CCN3CCOCC3)n2)ccc1OC(C)(C)C(=O)O,CHEMBL457062
+C=CCOC(CCc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228766
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1269463
+CCOC(=O)NCc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_645568
+CCc1c(C(=O)O)[nH]c2ccc(Br)cc12,CHEMBL1462380
+Cc1c(O)ccc2cc(-c3ccc(O)cc3)ccc12,CHEMBL372030
+COc1ccc(C(=O)Nc2ccc(C)c(C(=O)O)c2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,CHEMBL3335674
+Cc1ccccc1CN(Cc1cccnc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2381203
+C=CCn1c(-c2ccccc2)c[nH]c1=S,bindingdb_982688
+Cc1cc(OCc2c(-c3c(Cl)cn(C)c(=O)c3Cl)noc2C(C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,bindingdb_846291
+O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1,bindingdb_1759
+CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1,CHEMBL2331786
+CN1C(=O)NC(C)(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1=O,bindingdb_653093
+COc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC,CHEMBL3623107
+Cc1c(N2C(=O)O[C@H](C)[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,bindingdb_29787
+CC1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,bindingdb_1174228
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2cncs2)cc1,bindingdb_18647
+CC[C@@H](O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143395
+Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3F)s2)c(F)c1,CHEMBL2332578
+CCOc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1,bindingdb_652683
+Cc1nn(-c2ccccc2C(C)C)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2,CHEMBL2037329
+O=C(O)Cn1ccc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21,bindingdb_1004688
+CC(C)(c1nc2cncnc2[nH]1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054251
+CCO[C@H]1CC[C@H](CN2Cc3cc(C(=O)N[C@@H](CCO)c4ccc(S(=O)(=O)CC)cc4)ccc3[C@@H]2C(C)C)CC1,bindingdb_271231
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2COC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183985
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCOCC(F)(F)F,bindingdb_654190
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc2ncncc2c1,bindingdb_511720
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cncc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654246
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1F,CHEMBL552158
+CCc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596622
+O=C(c1ccccc1Cl)c1sccc1-c1cccc(Cl)c1,CHEMBL4283486
+CCCCC(Sc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CHEMBL563351
+C[C@@H]1C[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C[C@H](C)S1(=O)=O,bindingdb_648118
+Cc1cc(CNC(=O)c2cc(-c3ccc(N4CCCC4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL513035
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cn1,bindingdb_403233
+COc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2S(C)(=O)=O)cc1OC,bindingdb_401386
+O=C1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc(Cl)c(Cl)c1,bindingdb_506340
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N2C[C@H](O)C[C@H](O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F,bindingdb_645371
+CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CHEMBL4094610
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_646175
+Oc1ccc2c(c1)CCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401802
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1,bindingdb_1017936
+COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3,bindingdb_584260
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(F)cc2F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070450
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3cccc4ccccc34)CCC[C@@H]2C1,CHEMBL384388
+CC(C)CCN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2381199
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C,bindingdb_648172
+O=C(O)C1CC2(C1)CC(C(=O)N1CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C1)C2,bindingdb_650398
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=O,CHEMBL213547
+CN(C)CCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4070669
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2ccncc2F)cc1,bindingdb_511806
+C[Si]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3586248
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,DB01406
+Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1,CHEMBL1323907
+CC[C@H]1c2ncc(C(=O)N[C@@H](COC)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@@H](C(F)(F)F)OC1,bindingdb_270733
+Cc1nc2c([nH]1)CN(C(=O)C1CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C1)C2,bindingdb_652313
+CCCc1cc(-c2noc3cc(O)ccc23)c(CCC)cc1O,CHEMBL189200
+CCN(C[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ncnc2c1ccn2CC1(O)CCN(CC(N)=O)C[C@H]1O,bindingdb_652955
+CC1(C)CCC(O)(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)CC1,bindingdb_1143348
+O=C(c1ccc2c3c(cccc13)C(=O)N(O)C2=O)N1CCCCC1,bindingdb_760231
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](Cc1ccccc1)N3CC(F)(F)F,CHEMBL256082
+COc1ccc(CC(O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc1,CHEMBL235536
+Clc1ccccc1N=NCc1ccccn1,bindingdb_1000117
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1CC(F)(F)F,bindingdb_647861
+COc1ccc(C(=O)Nc2cnc3c(c(C4C5CC[C@H]4CN(C(=O)C4CCCC4)C5)cn3C)c2C)cc1C#N,bindingdb_651879
+CC/C(=N/Nc1ccccc1)c1cnnc(-c2ccccc2)n1,CHEMBL3211570
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1)c1ccc2c(c1)OCOC2,bindingdb_417718
+COc1ccc2c(c1)CCN(C(=O)CCCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4214337
+CC1(c2nc(C34CCC(CN(C(=O)C56CC(F)(C5)C6)c5cccc(-c6ccc(OC(F)F)cc6)c5)(CC3)CC4)no2)CC1,bindingdb_1017423
+CCn1c(C(O)CC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1,CHEMBL3774992
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC,DB06713
+COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CF,bindingdb_403096
+Cc1nc(NS(C)(=O)=O)ncc1-c1cccc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)n1,bindingdb_648129
+CC[C@H](O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965621
+C[C@H](CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1,CHEMBL573677
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCCC3)c(F)c1,bindingdb_646341
+CCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,bindingdb_68983
+Cc1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL392827
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3C[C@H]3[C@H]2CO)cc1)c1ccccc1,bindingdb_692085
+CC(C)(C)C1CCC(=NNC(=S)Nc2cccnc2)CC1,bindingdb_672536
+C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,CHEMBL3695614
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3ccc(OC(F)(F)F)cc3)cs2)cc1,CHEMBL4163215
+CCn1cnnc1SCC(=O)Nc1cc2c(cc1C#N)OCO2,bindingdb_292660
+CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL52426
+CC(C)(C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(=O)(=O)C1CC1,bindingdb_646803
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1182637
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)NC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017576
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(C(F)(F)F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_652842
+C=Cc1c(-c2cccc3cc[nH]c23)cc2c(c1C)NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682435
+CCCOC(=O)N1C=C(Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C(C(=O)O)CC1,CHEMBL256142
+Cc1c(C(O)(C2CC2)C(F)(F)F)ccc(C#N)c1Cl,CHEMBL3818497
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_651118
+CCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1085625
+CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,DB04855
+O=C(O)CCc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1,CHEMBL326947
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F,CHEMBL392499
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCCC3(O)c2ccc(OC)cc2)cc1,bindingdb_649756
+CC(C)n1nc(C(=O)O)cc1[C@@H]1C[C@H]1c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl,CHEMBL3822755
+CC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1630756
+CCCc1cc(-c2nccs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,bindingdb_988815
+CC(C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)cc1,bindingdb_400987
+CN(C)c1cccc(C(=O)Nc2cccc(Oc3cccc(O)c3)c2)c1,CHEMBL4164795
+CC(C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1)C1CC1,bindingdb_646282
+CN1C(=O)[C@@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_654844
+C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB00223
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)noc12,CHEMBL279053
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C(F)(F)F)CCC2)cc1C(F)F,bindingdb_1183346
+O=S(=O)(c1ccccc1)N1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL381478
+CCS(=O)(=O)c1ccc(C2(NC(=O)c3cnc4c(c3)CN(Cc3ccc(C(F)(F)F)cc3)[C@H]4C(C)C)CC2)nc1,bindingdb_206373
+CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1,CHEMBL3105817
+COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC,CHEMBL1386982
+CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,CHEMBL1242950
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cn(C[C@@H](O)CO)nn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646887
+CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccn2)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1963516
+CC[C@H]1c2ccc(C(=O)N[C@@H](CCO)c3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271251
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL233773
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c([C@H]2COCC[C@@H]2C(=O)O)cc1F,bindingdb_648447
+N#Cc1ccc(C(O)(C2CCC2)C(F)(F)F)c(Cl)c1Cl,CHEMBL3819640
+O=c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c2cc(F)ccc12,CHEMBL4170774
+CCOC(=O)CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652642
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC2CCC2C(F)(F)F)cc1OC,bindingdb_1183225
+CC(C)n1cc2c(n1)CCC(c1ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc1)(S(=O)(=O)c1ccc(F)cc1)C2,bindingdb_651325
+CCCCN(c1cccc(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760423
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc(Cl)c1,CHEMBL4067479
+CC(=Nc1ccc(C)cc1)c1sc2ccccc2c1O,bindingdb_999715
+Cc1oc(-c2cccc(Cl)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL386603
+CCCc1c(OCCCN2CCCc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL450050
+COc1cc(NCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_403326
+COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1,bindingdb_760147
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NC[C@@H]12)C1(O)CCOCC1,bindingdb_650343
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccccn1,CHEMBL201167
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146637
+O=C1CC(c2ccco2)CC(O)=C1/C=N/c1cc(Cl)ccc1O,CHEMBL1996233
+CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)c(C)c1,CHEMBL1269466
+COc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1,bindingdb_760597
+CCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2,CHEMBL3126841
+COc1cccc2oc(-c3ccc(F)cc3)cc(=O)c12,CHEMBL143978
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1130874
+O=S1(=O)[C@H](c2ccccc2)CCCCN1Cc1ccc(N2C[C@@H]3[C@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_650806
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403698
+CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,bindingdb_760631
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2ccnc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_649597
+Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12,CHEMBL1542391
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCC2)c(Cl)c1)C(F)(F)F,bindingdb_651701
+O=C(c1ccc(O)c(F)c1)N(c1ccccc1)c1ccc(O)cc1,CHEMBL3645270
+COC[C@H](C)CN1[C@H](c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2C[C@H]1C,CHEMBL3775329
+CC1(C(=O)NC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL365544
+COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2cc(C)on2)n1,bindingdb_584436
+O=C(O)C1CC=C(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_653168
+CC[C@@H](Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL247748
+CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1,bindingdb_476050
+CC(C)CN(c1ccc(C(O)(C#Cc2cccc(C(F)(F)F)c2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070368
+CCc1ccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)cc1,bindingdb_999818
+N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)o1,CHEMBL27766
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)COCc2ccccc2)cc1F,CHEMBL3588963
+CCC(Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1)C(=O)O,CHEMBL1813194
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@@H]1Cc1ccccc1,bindingdb_68692
+O=C1C(Cl)=C(Nc2ccc(O)cc2)C(=O)c2ccccc21,bindingdb_91264
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cn1,CHEMBL1079983
+COC(=O)c1ccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_58950
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCC2)cc1,CHEMBL3317858
+Cc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_400981
+COc1ccc(-c2cc3ccccc3c(=O)o2)cc1,bindingdb_999946
+Cc1c(O)ccc2c1c(=O)oc1cc(O)ccc12,CHEMBL206226
+C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=[NH+]\c1c(C)n(C)n(-c2ccccc2)c1=O,bindingdb_539827
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168403
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]([18F])[C@@H]2O,DB15690
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CSC1=O,CHEMBL3403686
+Cc1cc(N=CCC(=O)c2cccs2)ccc1F,bindingdb_999609
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)OC(CC)(C(=O)O)CC2,CHEMBL110743
+O=C(O)COc1ccc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1,CHEMBL379123
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C4CC4)ccn3)cc12,CHEMBL3699409
+O=C(NCCO)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650867
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c([C@@H]3CCOC3)cc(C(=O)O)cc2s1,bindingdb_1017596
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL490426
+COc1nnc(-c2ccc(C)c(S(=O)(=O)NCCO)c2)c2ccccc12,CHEMBL1582458
+CCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1,bindingdb_982742
+O=[N+]([O-])c1ccc(C2=NOC3CCCCCCC23)c(C(F)(F)F)c1,CHEMBL2159548
+CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL118939
+CC(C)Cc1ccc(C(C)C(=O)O)cc1,DB01050
+Fc1ccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c(Cl)c1,bindingdb_539980
+CC(F)(F)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1,bindingdb_1018298
+CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB00769
+CCC1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1,bindingdb_69183
+Oc1ccc2c(c1)CCCC(c1ccc3ncsc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403731
+COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)s2)cc1,CHEMBL218691
+CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1,CHEMBL1539325
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402520
+COc1cccc(N2CCN(C(=O)c3ccc(CS(=O)c4ccccc4Cl)o3)CC2)c1,bindingdb_55640
+COCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL251065
+C[C@H]1CCCN1c1ccc(C#N)c2ccccc12,CHEMBL3402221
+Cc1cc(C)cc(N(CC2CCCCC2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL519450
+C=C1OC=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C,CHEMBL250221
+CCCCc1n[nH]c2c1C(C)(C)CN(C(=O)C1CCCCC1)C=C2C(=O)OC(C)C,bindingdb_1017676
+CNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147553
+C=C1CCC(Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL1093625
+C=CCCCC(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963522
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ncc1Cl,bindingdb_1004543
+c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1,CHEMBL1392754
+OCCC/C(=C(\c1ccc(Br)cc1)c1ccc(N2CCNCC2)cc1)c1ccccc1,bindingdb_692066
+COc1ccc(COc2ccc(CSc3ccc(OCC(=O)O)c4c3CCC4)cc2)cc1,CHEMBL234662
+CC(C)(C)c1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl,CHEMBL213876
+C[C@H](C[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648833
+Cc1ccc(NCc2nc3ccccc3n2C)cc1,bindingdb_672310
+Cc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)n1,CHEMBL4161810
+O=S(=O)(Oc1ccc(O)cc1)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4202433
+CN(C)C(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3Cl)c2c1,CHEMBL3924898
+CC(C)c1ccc(NC(=O)c2cnc3c(ccn3C)c2)cc1,bindingdb_18537
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccc(C(F)(F)F)cc3)c2)c(Br)c1,CHEMBL394176
+Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1,CHEMBL596591
+CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3OCCCO)ccc21,CHEMBL4210595
+COc1ccc2c(Oc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1,CHEMBL4161129
+c1ccc2c(c1)CCN(c1ncnc3c1[nH]c1ccccc13)C2,bindingdb_539868
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2(F)CCC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270814
+COc1cc(N(C)C2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_400903
+COC[C@](C)(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_401766
+COc1nc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_402403
+Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3,bindingdb_1000047
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccn3)cc21,CHEMBL4159720
+COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2,CHEMBL430004
+COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1,bindingdb_988992
+O=C([C@H]1CC[C@](F)(C(=O)O)CC1)N1CCC2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_654583
+CCCc1cc(C(=O)CC)cc(CCC)c1NC(C(=O)O)c1ccc(C(C)C)cc1,CHEMBL187612
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183567
+Cc1cc(OCc2nc(-c3cnc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075836
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(C)c(C)c4)oc3C)ccc21,CHEMBL370186
+O=C(NC1CCOCC1)[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652835
+c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCCO4)C2,bindingdb_760192
+C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(Cl)c1,CHEMBL470560
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182850
+COc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672463
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(C#N)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183711
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(=O)(=O)C(=O)NC)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183789
+CCCCC(Sc1ccc(OCCCOc2ccccc2)cc1)C(=O)O,CHEMBL552347
+CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)NC3CCS(=O)(=O)CC3)c2)cc1,bindingdb_1018123
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccnc4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018793
+CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL301156
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC)oc2C)c1)C(=O)O,CHEMBL378705
+O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cnn(-c2ccccc2)c1,CHEMBL3264626
+O=C(CC=Nc1ccccn1)c1ccccc1,bindingdb_55617
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(CCc3ccccc3)cc(CCc3ccccc3)c2)cc1)C(=O)O,CHEMBL247314
+CC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21,CHEMBL393551
+COc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnc2c1c(Cl)nn2C1CCOCC1,bindingdb_417664
+c1coc(-c2nn3c(-c4ccco4)nnc3s2)c1,CHEMBL1496995
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC3CCNCC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54982
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CN2CC(=O)ON)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183938
+CN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3O)cnc2NC1=O,bindingdb_760634
+CC(C)[C@H]1c2ncc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)C3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123950
+C=Cc1cc(O)cc2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL191648
+CCNC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653975
+CCOC(=O)CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C,CHEMBL81387
+CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,CHEMBL12850
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)cc1,CHEMBL3398461
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(C)C,bindingdb_651598
+CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(F)cc1-3,CHEMBL116007
+CC(C)(C)OC(=O)NCc1ccc(C#C[C@]2(O)CCC3C4CCc5cc(O)ccc5C4CC[C@@]32C)cc1,bindingdb_1050105
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],CHEMBL2348905
+O=C(O)C1CC2(C1)CC(C(=O)N1CCCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC13)C2,bindingdb_651722
+CCCOc1cc(N(CC)CC)ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1,bindingdb_112203
+COC(=O)Cc1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1,CHEMBL4210210
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL253416
+COC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccccc1)C2,CHEMBL403172
+CC(C)c1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl,CHEMBL378057
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)ccc1F,bindingdb_651164
+CC(C)(C)c1cc(NC(=O)C2CCCO2)no1,bindingdb_1005037
+COc1ccc(-n2c(N)c(C(=O)NCc3cccnc3)sc2=S)cc1,bindingdb_1738
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(-c2nnn(C)n2)cc1,bindingdb_652293
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCO)cc3)C[C@@]21C,CHEMBL455411
+C=CCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12,CHEMBL219872
+Cc1ccccc1S(=O)(=O)N(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)Cc1c(F)cccc1Cl,CHEMBL1091976
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccc(Cl)s1,CHEMBL572330
+Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1081391
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DB13158
+O=C([C@H]1CC[C@H](CO)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3972511
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c(C(=O)O)c1,bindingdb_598176
+C=CCOc1ccc(-c2cc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)c(C)c3)nn2C)cc1,CHEMBL473300
+CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,DB06870
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1,CHEMBL1834966
+COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC,CHEMBL577605
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O,CHEMBL3589805
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2,bindingdb_1017749
+Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc32)s1,bindingdb_584297
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(C4(O)COC4)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_645716
+Cc1cc(OCc2nc(-c3cnc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1075895
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652213
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2C[C@H]3CC[C@@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_648644
+Cc1cc(C(F)(F)F)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)(C)O)CC4)c3Cl)nc12,bindingdb_206251
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(c3ccccc3)C(F)(F)C(F)(F)F)ccc2O1,bindingdb_647098
+O=C(Nc1ccc(F)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,bindingdb_745827
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5c(F)cccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651170
+COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)cc(F)c2)c1OC,CHEMBL429818
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C,bindingdb_648609
+Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1,bindingdb_17484
+Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12,CHEMBL1391455
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)O)c(C)c1C,CHEMBL1760272
+CC(C)(C)c1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc(F)n1,bindingdb_403431
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1Cl,bindingdb_403308
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(SC(F)(F)F)cc2)cc1,CHEMBL1081764
+C=CC(=O)Oc1ccc(CCC)cc1,CHEMBL394679
+CC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1,CHEMBL493703
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1cccc(C#N)c1,CHEMBL566600
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3cccc(F)c3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL244972
+COCCOc1ccc(NC(=O)c2cnc3c(ncn3C)c2Cl)cc1,bindingdb_18661
+Cc1ccc(S(=O)(=O)N2C[C@H]([C@@H]3C[C@@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cc1,bindingdb_645079
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)cn1,bindingdb_1000142
+Cn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2,bindingdb_953847
+C[C@H]1c2c(Cl)c(-c3cccc4cc[nH]c34)cc(F)c2NC(C)(C)[C@@H]1O,CHEMBL1682436
+C[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2O1,bindingdb_998218
+CC(C)(C)OC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_646177
+C=C1c2ccc(-c3cccc(CC(=O)O)c3)cc2C(=O)N(C)c2ccc(CC)cc21,CHEMBL2171828
+COc1ccc(C(N)=NOC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1,bindingdb_112226
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1,CHEMBL3094386
+Cc1c(N2C(=O)[C@@H]3[C@@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL233774
+C#CCn1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc21,bindingdb_958548
+O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1446626
+CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL394031
+CCN1CCN(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CC1,CHEMBL1461254
+CCn1c(CCC(=O)Nc2ccc(C)cc2C)nnc1CCC1CCCCC1,CHEMBL3775930
+CCOC(=O)c1[nH]c2ccc(C)cc2c1N,bindingdb_982755
+CC(=O)NCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL3094376
+CCO[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL389768
+CC(C)C(C)(C)CC(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1,bindingdb_645974
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-],CHEMBL2349042
+O=C(O)c1cc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(N2CCOCC2)n1,bindingdb_1017757
+CC[C@@H](O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965563
+CC1(C)OC(S)=Nc2ccc(-c3ccc(C#N)o3)cc21,CHEMBL24245
+CC(C)(C)c1ccc(C2=C(c3ccc(N[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_402173
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nccnc2[nH]1)C(F)(F)F,CHEMBL3126955
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(OC(F)F)cc3)[C@@H](c3ccccc3)C2)c1,bindingdb_1000046
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1,bindingdb_401233
+Cc1ccc2[nH]c3c(c2c1)C[C@@H](C)N(CC(F)(F)CO)[C@@H]3c1c(F)ccc(OCCNCCCF)c1F,bindingdb_402905
+Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(F)cc1,bindingdb_584266
+CC1CCN(C(=O)C2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)CC1,CHEMBL2349055
+COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C#N,bindingdb_356188
+Cc1ccc2nc(O)c(-c3nc4ccccn4c3NCc3ccco3)cc2c1,CHEMBL1439181
+CS(=O)(=O)NC(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,bindingdb_651918
+C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1,bindingdb_476042
+CCc1oc(=O)[nH]c1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127533
+C=CC(=O)c1ccc(CCCCCC)cc1,bindingdb_481736
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3COC3)c(S(C)(=N)=O)c2)cc1,bindingdb_649503
+CC#C[C@@]1(O)CC[C@@]2(CC)c3ccc(OCc4cccnc4C)cc3CC[C@@H]2C1,CHEMBL457036
+O=C(O)c1cc(C2CCCOCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017455
+COc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCc2ccccc2)c1CC=C(C)C,CHEMBL3781424
+Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL219626
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(F)(F)F)cc1N,bindingdb_1143456
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(Cl)cc4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263785
+CC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3976875
+CCOc1nccc2c1C(c1ccc(C#N)cc1OC)C(C#N)=C(C)N2,CHEMBL4089197
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183127
+COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_649309
+CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12,CHEMBL3775389
+CCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,bindingdb_760220
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2C2CCSCC2)c1Cl,bindingdb_168555
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1C(=O)C=CC1=O)c1ccccc1CC2,CHEMBL3764510
+CC(C)NC1=NN=C(c2cccs2)CS1,bindingdb_999543
+CC(O)(C(=O)Nc1ccnc(Br)c1)c1ccccc1,bindingdb_1175313
+Cn1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5noc(C6CC6)n5)c4)(CC2)CC3)cc1C1CC1,bindingdb_1017456
+O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CCC1c1cccc(O)c1,CHEMBL59311
+CC(=O)NC(CO)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647984
+COc1cccc(-c2cccc(N(CC34CCC(c5nc(C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1,bindingdb_1017818
+C[C@]1(C(=O)N2CCC3(C=Cc4ccccc43)CC2)CCC[C@]2(C)c3ccccc3CC[C@@H]12,CHEMBL197265
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)cc1O,bindingdb_998389
+N#CCCN1C[C@@H](F)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647338
+C=C(C)[C@@H]1[C@@H]2O[C@@H]2[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O,CHEMBL2382122
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1,CHEMBL550767
+Cc1cnc(C(=O)Nc2cccc3cccnc23)cn1,bindingdb_584497
+CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC1,bindingdb_1026139
+CC(=O)NC[C@@H]1Oc2ccc(NC(=O)OC(C)(C)C)cc2N(S(=O)(=O)c2ccc(F)cc2)[C@H]1C,bindingdb_54894
+Cc1cc(OCc2nc(-c3ccc(C(=O)N(C)C(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075723
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cc(C)cc(C)c3)oc2C)c1)C(=O)O,CHEMBL380070
+CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426118
+CC(C)c1cc(Cc2c(Br)cc(OCC(=O)O)cc2Br)ccc1O,bindingdb_965599
+CCC(O)(c1ccc2nc(OC)c(Cc3ccc(C(F)(F)F)cc3)c(Cl)c2c1)C1CN(C(=O)OC(C)(C)C)C1,bindingdb_650041
+COc1ccc2c(Nc3ccc(OCCN(C)C)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1,CHEMBL4176319
+Cc1cc(-n2cnc(CC3CS(=O)(=O)C3)n2)nc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)c1,bindingdb_652859
+CC[n+]1c(C=C2C=C(C)OC(C)=C2)sc2ccccc21,bindingdb_539852
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CO)Cc2ncc(NC(=O)[C@@H](C)C(C)(C)C)cc21,bindingdb_998261
+Cc1cnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C3)s1,CHEMBL4084014
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3Br)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087292
+N#CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1,CHEMBL3318056
+C=C[C@]12CCC(Cl)=CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL430395
+CCOC(Cc1ccc(OCCN2CC=C(c3cccs3)CC2)cc1)C(=O)O,CHEMBL491423
+Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)n[nH]1,CHEMBL1096182
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1,CHEMBL1800982
+CCn1c(SC(C)C(=O)O)nc2sc3c(c2c1=O)CCC3,CHEMBL1465739
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCc4cc(O)no4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4175888
+COc1ccc(Cl)c(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1,bindingdb_68999
+C[C@@H](O)Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_650610
+Cn1cncc1/C=C/c1ccc(C2(C)c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1,CHEMBL4070586
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(CC)(c2ccc3c(c2)OCO3)C1=O,CHEMBL3588892
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)N[C@H]2C[C@@H](O)C2)cc1F,bindingdb_650259
+CN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_645155
+Oc1ccc2c(c1)CCCC(c1ccncc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403809
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCC(=O)NO)nn2)cc1,bindingdb_475678
+O=C(Cc1ccncc1)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NC[C@@H]12,bindingdb_650076
+O=C1C(N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCN1Cc1ccccc1,bindingdb_645458
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@H](C(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649337
+CC(C)Cc1ccc(C(C)C(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_988883
+CCC(NC(=O)c1ccc2c(ccn2S(=O)(=O)c2cccc3ccccc23)c1)c1ccccc1,CHEMBL3678105
+O=C(O)c1cc(C23CCC(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CO3)ccc1F,bindingdb_1019029
+CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,DB00312
+Cc1nc2cc(C(=O)O)ccc2[nH]1,CHEMBL482642
+Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(F)c(CN(CC(=O)O)C(=O)OCC(C)C)c1,CHEMBL3827050
+CN1CCOc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc21,bindingdb_401134
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCCCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL601647
+Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1,bindingdb_91740
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc[nH]3)cc2)n1,bindingdb_89268
+Cn1c(C#N)ccc1-c1c(F)cc(O)cc1F,CHEMBL4095364
+Cc1sc2ncnc(NCc3ccco3)c2c1C,CHEMBL1532659
+Cc1ccccc1N1CCC(OC(=O)NCSCc2c(C)noc2C)CC1,bindingdb_25342
+CC(C)(Oc1ccc2c(CCc3nc(-c4ccccc4Cl)oc3C(C)(C)C)noc2c1)C(=O)O,CHEMBL1778832
+Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1,bindingdb_55616
+COc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1,CHEMBL220224
+CC(C)(Cc1nnc(-c2nc(CN3CCCC(F)(F)C3)c(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c3Cl)s2)o1)C(=O)O,bindingdb_645081
+CN(C)c1noc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)n1,bindingdb_672608
+COc1ccc(-c2ccc([C@H]3C[C@]4(C)[C@@H](C(=O)C5CC5)CC[C@H]4[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)cn1,CHEMBL411522
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)cc1Cl,CHEMBL563175
+CCON=C(C)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_645183
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](CCC(=O)NS(=O)(=O)C(F)(F)F)O2)C(F)(F)F,bindingdb_648200
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3ccccc3C(F)(F)F)noc2C2CC2)c(F)c1,bindingdb_1017655
+Cc1cc(O)nc(SCC(=O)Nc2nc3c(s2)CCCC3)n1,CHEMBL1517817
+Cc1nc(C(=O)N[C@@H](C)Cn2ccc(-c3cc(F)c(C#N)c(Cl)c3)n2)c[nH]1,bindingdb_475688
+C[C@@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL183584
+CC(C)S(=O)(=O)CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651304
+COCCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)cc1,bindingdb_402081
+c1ccc(Nc2nc(-c3ccccn3)cs2)cc1,bindingdb_958561
+Nc1ccc(S(=O)(=O)O)c2cccc(O)c12,CHEMBL1618860
+O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1nccs1,bindingdb_89266
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1CCC(=O)O,CHEMBL3622995
+N#Cc1cc(O)c(Cl)c2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL192390
+CCCCOc1ccc(C2c3nnnn3CCN2Cc2ccccc2)cc1,bindingdb_649165
+COc1cc(OCCN2CC(CF)C2)ncc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_403163
+Cc1cc(O)ccc1-c1ccc(C#N)n1C,CHEMBL4079377
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@H](C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1183466
+COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1645395
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12,CHEMBL3605919
+Oc1ccc2c3c(cnc2c1)-c1ccc(C(F)(F)F)cc1O[C@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050063
+C[C@H](CCC(=O)NCc1ccc(OCCN2CCOCC2)cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,5ntk
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263890
+CCN(CC)c1cc(-c2cc(C(=O)NCC(C)(C)O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3545500
+C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL194749
+O=C(COc1ccc2ccccc2c1Br)Nc1cccnc1,bindingdb_55565
+COc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1,CHEMBL1945214
+Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-],CHEMBL1972915
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL1411209
+CCOc1ccccc1/C=C/C(=O)c1cc(Br)ccc1O,CHEMBL4287759
+CC1=CC[C@H]2C[C@@H]1[C@H](c1ccc(O)cc1)OC2(C)C,DB08595
+CCCc1cc(C#N)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219661
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H](CO)Cc1c[nH]cn1,bindingdb_647176
+CC1=CC(C)(C)Nc2ccc(-c3csc(C=O)c3)cc21,CHEMBL337885
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4c(F)cccc4F)oc3C)ccc21,CHEMBL371760
+C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)cc1Cl,CHEMBL516960
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695799
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270618
+CC(/C=C/c1ccccc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCCCF)=C\C(=O)O,CHEMBL129976
+CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c(C)noc12,CHEMBL220204
+Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,CHEMBL234463
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1,CHEMBL285483
+CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(S(N)(=O)=O)c2)c1,CHEMBL605107
+CO/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21,CHEMBL1762199
+O=C(NCC1CCCO1)c1coc2nc3ccccc3nc12,bindingdb_108503
+COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3Cl)c3nc(OC)ccc23)cc1,CHEMBL460073
+CC(C)(C)c1ccc(C(=O)NCc2ccc(CC(=O)O)cc2)cc1,CHEMBL4096637
+C[C@H](N)C(=O)N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998193
+Cc1ccc(OCCCC(C)CC(=O)O)c(Cn2c(C)cnc2-c2ccc(OC(F)(F)F)cc2)c1,bindingdb_1002243
+O=C(O)c1ccc(F)c(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018108
+CC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1,CHEMBL1431555
+CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)NCCO,bindingdb_122667
+CC(=O)c1cc(CC(C)C)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O,CHEMBL3114122
+O=C(O)C1CCC(O)(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3947450
+Cc1ccc2nc(-c3cccs3)c(NCCc3ccccc3)n2c1,CHEMBL4100621
+C[C@H](CF)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2C[C@H]1C,CHEMBL3775908
+O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F)c1ccsc1,bindingdb_257860
+COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,DB00210
+CCC(C(=O)O)C1CCc2cc(OCCn3nc(-c4ccccc4)c4ccccc4c3=O)ccc21,CHEMBL200811
+CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O,CHEMBL3358944
+COC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130916
+Cc1cc(OCP(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,CHEMBL457529
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(C#N)cc1Cl)c1cnc(C2CC2)nc1,CHEMBL4208799
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168406
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCCCCP(=O)(O)O)C(=O)SCF,bindingdb_417296
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n(CC3CC3)c2n1,bindingdb_649934
+CC(C)N(C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)C,CHEMBL2348876
+COc1cc(OC)cc(-c2nc(CCOc3ccc(C[C@H](OC)C(=O)O)c4sccc34)c(C)o2)c1,CHEMBL521007
+C[C@]12Cc3cnn(C4CCCCC4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,CHEMBL2022652
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(C)c4)oc3C)ccc21,CHEMBL199928
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SCC2)c(F)n1,bindingdb_402496
+O=S(=O)(c1ccccc1)[C@](F)(c1nnco1)[C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1,bindingdb_757546
+O=C(C1CCCC1)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3983495
+Cc1csc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1,bindingdb_672615
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(O)c1,CHEMBL4099639
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402428
+O=C(O)c1ccc(-c2noc(-c3cc4c(Cl)ccc(Cl)c4o3)n2)c(Cl)c1,bindingdb_965498
+N#C[C@@H]1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645231
+Cc1ccc(NC(=O)N(CCCCC2CCCCC2)CCc2ccc(SC(C)(C)C(=O)O)cc2)cc1[N+](=O)[O-],CHEMBL281791
+CCC(O)(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)C(F)(F)F,bindingdb_650170
+COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Cl,bindingdb_356183
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018609
+O=C(Cc1cccs1)Nc1ccccn1,CHEMBL1362841
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CN2CCC[C@@H](F)C2)c2ccccc12)C(F)(F)F,bindingdb_645319
+CCn1c(=O)c2cc(NC(=O)C[C@H](C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2n(CC)c1=O,6b31
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n1)C(=O)O,CHEMBL3094417
+O=C(O)c1cc(C2CCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017689
+CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)cc1,CHEMBL427174
+CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL594063
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(N4CCOCC4)ccc3[nH]2)C1=O,CHEMBL3578285
+CCCN1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1,CHEMBL179518
+N#Cc1c(F)cc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018982
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3Cl)c(C(=O)c3ccccc3Cl)s2)cc1,CHEMBL4225808
+Oc1ccc(C2Nc3cccc4cccc(c34)N2)cc1,CHEMBL1527972
+CCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1,bindingdb_1183928
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,CHEMBL551965
+CC(C)(CCCOc1ccc(/C=C/c2ccccc2)cc1)C(=O)O,CHEMBL1828826
+COc1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)c(OC)c1,bindingdb_1775
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)c3cc(Br)ccc32)cc1,bindingdb_846252
+COC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1143425
+CCOC(=O)c1cnc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2nc(C)cs2)nc1C(F)(F)F,bindingdb_1143253
+CCCc1nc2ccc(C(=O)NC(CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL601678
+CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,bindingdb_760271
+COc1ccccc1OCc1cc(C(=O)N(C)CCC2CCCCO2)no1,bindingdb_69307
+C[C@H]1C[C@H](C(=O)O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,CHEMBL4634542
+CO[C@]1(C(F)(F)F)CC[C@@H](CN2CCN(c3ccc(CO)c(S(C)(=O)=O)c3)C[C@@H]2C(C)C)CC1,bindingdb_1131065
+CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1F,CHEMBL2178793
+CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)nc1,bindingdb_1127512
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3F)C3CC3)c2F)[C@H](O)C1,bindingdb_989030
+Cc1ccc(C(=O)c2nc3c(n2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)CCCC3)cc1,CHEMBL1760557
+CCOC(Cc1ccc(OCCN2CC=C(c3cccc(Cl)c3Cl)CC2)cc1)C(=O)O,CHEMBL522754
+CCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1493891
+CC1=C(C(=O)OCCOc2ccccc2)C(c2ccc(OCc3ccccc3)cc2)NC(=O)N1,CHEMBL2385741
+COc1ccc2c(-c3ccccc3)cc(SCC(=O)NC(N)=O)nc2c1,bindingdb_112089
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(c2ccccc2)CC1,CHEMBL1414407
+N#Cc1ccc(-c2cc(=O)c3c(F)cccc3o2)cc1,CHEMBL2386406
+Cc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4217406
+Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1,bindingdb_69297
+CCc1cc(F)c2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042814
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(Cl)c1,bindingdb_401320
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@H](CNC(=O)C1COC1)O2)C(F)(F)F,bindingdb_649447
+Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2C(F)(F)F)s1,CHEMBL4225823
+CCc1nc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)(F)F)s1,bindingdb_651686
+O=C(NCCCN1CCOCC1)c1csc2c1CCCC2,bindingdb_45564
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)nc1,bindingdb_270976
+CCOC(=O)c1s/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C,bindingdb_1026203
+C[C@]12CC[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL1565119
+COC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O,CHEMBL213902
+O=C(O)C1CCC(N2C(=O)S/C(=C\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)CC1,CHEMBL4166832
+CCNC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_651900
+CC(/C=C/CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)O,CHEMBL208213
+CC(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)no1,bindingdb_1017590
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)C(=O)N1CCN1CCCC1,CHEMBL4160018
+CC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263696
+CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br,bindingdb_481685
+c1ccc(-c2c3ccccc3nc3cc4ccccc4cc23)cc1,CHEMBL4116674
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN(C)CC1)c1ccccc1CC2,CHEMBL1622067
+Cc1cc(OC(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(C)C3)c1Cl)n2C,bindingdb_206666
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(Cl)cc2)cc1,CHEMBL1081600
+CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3O)ccc21,CHEMBL4203742
+c1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,bindingdb_69119
+Cc1cc(SCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL259856
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@@H]2CC[C@@H](C(F)(F)F)CO2)[C@H]3C(C)C)cc1,bindingdb_271093
+N#CC1(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccccc5Cl)cc4)nc3c2)CC1,CHEMBL215498
+COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C(C)C)n2)c1,CHEMBL3264989
+O=c1c2ccccc2nnn1CSc1ccccc1F,bindingdb_1000251
+O=C(NN=CC(Br)=Cc1ccccc1)c1[nH]nc2c1CCC2,bindingdb_55537
+NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1,bindingdb_539836
+CNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270927
+CCN(Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988851
+O=C(O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4ccccc4Cl)noc2C2CC2)C3)c(F)c1,bindingdb_1017809
+C[C@@H](CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1,CHEMBL584364
+Cc1ccc(CN=Nc2nnc(Cl)c3ccccc23)cc1,bindingdb_672658
+CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@H](c3ccc(F)cc3)C2)c1,bindingdb_1004609
+CNS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647424
+C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CS2,CHEMBL118754
+O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cc4ccccc4o3)N3CCC[C@@]123,bindingdb_539940
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](C(=O)NCCC(=O)O)O2,bindingdb_649621
+CCS(=O)(=O)c1ccc([C@H](COCC(=O)O)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271186
+CC(=O)c1sc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)nc1C,bindingdb_584160
+CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2ccccc2F)cc1,bindingdb_651927
+Cc1nc(-c2ccc(O)c(O)c2)cs1,CHEMBL495123
+CCc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1,CHEMBL3900176
+O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,CHEMBL1583106
+Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,DB00163
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(N3CCCNCC3)cc2)cc1,CHEMBL340606
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(=O)c3ccncc3)ccc12,CHEMBL451681
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C2,CHEMBL3735046
+CC(C)CN(c1cccnc1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361063
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4COC4)CC3)cc2C1=O,bindingdb_1127484
+C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12,5lsg
+CN(C)c1ccc([C@H]2OC[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL559302
+O=c1c2ccccc2nnn1CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,bindingdb_982757
+CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(=O)C(F)(F)F)c[nH]c12,CHEMBL371091
+O=C(O)c1cccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1,bindingdb_672459
+CCCc1c(OCCCn2ccc3ccc(OC(C)(C)C(=O)O)cc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL425254
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cccc(F)c2)cc1,CHEMBL2377524
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3)c(-c3ccccc3)nc3cc(O)ccc23)cc1,CHEMBL194600
+CN(C)CCOc1ccc(Cn2c3ccccc3c3sc4cc(O)ccc4c32)cc1,CHEMBL196283
+COc1cccc(OC)c1C1=NCC(=O)Nc2c1oc1ccc(Br)cc21,bindingdb_584022
+COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3O)[nH]n2)c1,CHEMBL1544241
+CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315053
+Oc1ccc2c(c1)CCCC(c1ccc(OCC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403859
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(C)noc4C)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649053
+COc1cc(OC)cc(-c2oc3cccnc3c2C#CCCO)c1,bindingdb_292634
+C[C@H](NS(C)(=O)=O)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_649003
+c1csc(CNc2ncnc3sccc23)c1,bindingdb_584071
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CCCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651561
+CCCC(N=Nc1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1,bindingdb_402074
+CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2Br)c2ccc(C#N)c(Cl)c2)C1,CHEMBL592017
+Cc1c(-c2cccc3cc[nH]c23)cc2c(c1C)NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682433
+CC(C)CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL227645
+COc1cc(-c2nc(C)c(C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL374925
+CCC1=N[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@H](c2ccc(O)cc2)N1,CHEMBL192539
+COc1ccccc1-c1nnc(NC(C)=O)s1,bindingdb_982664
+N#C[C@@H]1CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_648950
+C=C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL409661
+CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12,CHEMBL205920
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2ccccc2F)n1,CHEMBL3941775
+CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NCC3CCCO3)s2)cc1,bindingdb_69021
+Cc1ccccc1Cn1c(C)nc2ccccc21,bindingdb_539860
+N#CCc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12,CHEMBL360385
+O=C(O)Cc1csc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12,CHEMBL234383
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3c(OC)cccc3OC)cc21,CHEMBL206706
+c1ccc(/N=N/c2ccc(C3=NCCO3)cc2)cc1,bindingdb_999690
+O=C(C1CCS(=O)(=O)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3921112
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1,CHEMBL1097193
+CN(CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349035
+CCOc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)c(OC)c3OC)no2)cc1,bindingdb_584102
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2o1,CHEMBL1940551
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(CSc6ccc(N)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417583
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1,CHEMBL561574
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3)OC[C@@]21C,CHEMBL549364
+CCC/C=C(\CCC)C1=C(CCCC)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL425623
+CC(C)(O)CNC(=O)c1cnc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)nc1,bindingdb_475605
+COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_401925
+Cc1c(/N=C2\O[C@@H](C(C)C)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL483745
+O=C(O)c1cc(F)c2nc(N3C[C@H]4C[C@@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_109237
+Cc1nn(-c2ccccc2F)c2c1C(c1ccc(Oc3ccccc3)cc1)SC(C)C(=O)N2,CHEMBL2037331
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NOCc1ccc(C(F)(F)F)cc1)O2,bindingdb_647917
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)coc12,CHEMBL278994
+O=C(O)c1ccc(-n2cc(C(=O)c3c(F)cccc3OC(F)(F)F)c3ccccc32)cc1,bindingdb_652090
+O=[N+]([O-])c1ccc(C2=NO[C@H]3CCC[C@@H]23)cc1C(F)(F)F,CHEMBL2159732
+N#Cc1cc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)ccc1C(=O)O,bindingdb_1018984
+CCn1c(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc2ccccc21,CHEMBL376051
+CC1=C(/C=C/C(=C/C=C/C(C)=C/C(=O)O)c2ccc(C)cc2)C(C)(C)CCC1,CHEMBL1476397
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1,CHEMBL3945199
+CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,CHEMBL705
+O=C1c2ccccc2C(=O)N1c1ccc(/C=C/c2ccc(O)c(O)c2)cc1,CHEMBL575439
+Cc1ccc([C@@H](NC(=O)Cc2ccc3oc(C(c4ccncc4)N4CC(N)C4)cc3c2)c2ccccc2)c(C)c1,CHEMBL3314027
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2cncnc2)c(F)c1,bindingdb_18607
+CC(=O)NC[C@@H]1Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N(S(=O)(=O)c2ccc(F)cc2)[C@H]1C,bindingdb_647552
+Cc1onc(-c2ccccc2)c1C(=O)ON=C(N)c1ccc([N+](=O)[O-])o1,bindingdb_292582
+CC(=O)N1Cc2cc(S(=O)(=O)C3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648815
+Cc1ccnc(SCC(=O)[C@@]2(OC(=O)c3ccco3)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)n1,CHEMBL1917416
+Cc1cc2nc(-c3cccnc3SCC(=O)NCc3ccco3)[nH]c2cc1C,bindingdb_1000349
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CC3CCC(C3)C2)cc1,CHEMBL3317866
+c1ccc(CCSc2nc3ccccc3[nH]2)cc1,CHEMBL2316538
+CCC(C)S(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3970640
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(-c2ncn[nH]2)cc1,bindingdb_654484
+CN1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_646337
+CCc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)O,CHEMBL238970
+C[C@](O)(CSc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL125204
+Cc1nn(CCCC(F)(F)F)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337825
+COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)nn2)cc1,bindingdb_168473
+CCOc1ncccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1,CHEMBL1479469
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1,CHEMBL82546
+O=C1C(=CNc2ccccc2O)C(=O)c2ccccc21,bindingdb_999870
+CCO[C@@H](Cc1cccc(C2=NOC(CCc3ccccc3)C2)c1)C(=O)O,CHEMBL484263
+CC1(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)NC(=O)N(CF)C1=O,bindingdb_653832
+COc1ccc(C2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1,bindingdb_401827
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1COC(=O)C1,bindingdb_650700
+CN1CCN(C(=O)N2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646647
+CC(C)S(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL243791
+CCc1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182953
+O=C(NCc1ccnnc1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651181
+CC(C)(O)CNC(=O)c1nc(C(F)F)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)s1,bindingdb_648364
+COc1ccc2c(n1)CCN(C(C)=O)[C@H]2C(=O)Nc1ccc(OCc2ccccc2OC)cc1,6e3g
+C[C@](O)(CNc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL124088
+CNCCCCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21,CHEMBL3823498
+Cc1cc2oc(C(=O)NCC(c3ccco3)N3CCCC3)c(C)c2cc1C,bindingdb_672592
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(Cl)c3)C2)CC1,bindingdb_654754
+Cc1ccc(C2=C(c3cnc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3CCC2)c(F)c1,bindingdb_403892
+Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)c(NCc3ccccc3)n2c1,CHEMBL4077285
+CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4[nH]3)c3nsnc23)CC1,bindingdb_988954
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S+](C)[O-])c2)cc1,CHEMBL4224870
+CCCCS(=O)(=O)NC(=O)NCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_263686
+Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCN(c4cccc(C(=O)O)c4)C3)s2)cc1,CHEMBL1934484
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(F)ccc3F)c(F)c2)CC1,bindingdb_654770
+CN1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646473
+O=C(c1ccco1)C(C=Nc1ccc(Br)cc1)C(=O)C(F)(F)F,bindingdb_55692
+Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nn1C,bindingdb_539840
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C(C)(O)CCC(F)(F)F)cc1OC(F)F,bindingdb_1183704
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc12,CHEMBL3695817
+CC(C)[C@@H]1CN(c2ccc(-c3nc(C#N)cs3)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1130995
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC,CHEMBL4174598
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403734
+Cc1nc2ccc(-c3cncc(N(CC45CCC(c6nc(C(C)(C)C)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1017529
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3[N+](=O)[O-])sc3cc(O)ccc23)cc1,bindingdb_402971
+C=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1,CHEMBL82716
+CC(C)(F)C(N)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647327
+CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OCC(C)(C)C)ccc2O1,bindingdb_645442
+CCCCCCSc1cc(C)c(C(=O)CCN2CCN(C(C)=O)CC2)c(C)c1,CHEMBL570306
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21,CHEMBL4287715
+COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccccc12)C(F)(F)F,CHEMBL1257222
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(CNC(=O)c2cncs2)cc1,bindingdb_18599
+CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCC(C)C)n1,CHEMBL522823
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C[C@@H]4C[C@@H](O)CC(=O)O4)cc3)C[C@@]21C,CHEMBL182961
+Cc1ccc(C)c(CN(c2ncnc(NCC3CCN(CC(N)=O)CC3)c2F)C2CC2)c1,bindingdb_100334
+Cc1ccc(C(=O)CC=Nc2ccccn2)cc1,bindingdb_583983
+C#Cc1ccc(NC(=O)c2cnc3c(c(C)nn3C3CCN(Cc4ccc(N=[N+]=[N-])cc4)CC3)c2Cl)cc1,bindingdb_417678
+CC(C)CN(Cc1ccc(N(C)C2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_653216
+CCCC12CCC(=O)C=C1c1ccc(O)cc1C2,CHEMBL377847
+CCCC1=C2c3ccc4[nH]nnc4c3CC2(CC)CCC1=O,CHEMBL378883
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(C(=O)O)cc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127387
+N#Cc1ccc(C(O)(C2CC2)C(F)(F)F)c(Cl)c1Cl,CHEMBL3818619
+Cc1cc(OCc2nc(-c3ccc(N4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075704
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL124718
+COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(O)cc2)cc1,CHEMBL444373
+Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)no1,bindingdb_584233
+CCOC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F,CHEMBL3827584
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)OCc1ccccc1)O2)C(F)(F)F,bindingdb_645599
+CN(CCOc1ccc(CC(CCCc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL304046
+CC(c1nccn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL559580
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)ccc1F,CHEMBL3828330
+CC(C)CN1CCc2cc(O)ccc2[C@H]1c1ccc(/C=C/C(=O)O)cc1,CHEMBL3775824
+O=COc1ccc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)nc1C(F)(F)F,bindingdb_1019079
+CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1,CHEMBL1447311
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1cnc2ccccc2n1,CHEMBL2024024
+CSc1nc2n(n1)C(c1ccccn1)C1=C(O)CC(C)(C)CC1=N2,CHEMBL1444769
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(Br)c1,bindingdb_112197
+CC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2Cl)cc1,CHEMBL4087681
+O=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1,CHEMBL1359354
+CCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(CC)C(=O)O,CHEMBL200760
+C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CC[C@]1(C)O,CHEMBL4068946
+CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,CHEMBL552240
+CC(C)(C)SC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3,CHEMBL570584
+C[C@@H](O[C@H]1CN2C(=O)CC[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL272649
+CCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL376325
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(Cl)c(C(F)(F)F)n1,CHEMBL3814501
+O=C(O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL364333
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccnc2[nH]1)C(F)(F)F,CHEMBL1254652
+CC1CCc2sc(C(=O)NC(C)C3CCCO3)cc2C1,bindingdb_69281
+CC(C)Cc1nc(-c2nnc(CC(C)(C)OC=O)o2)sc1-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1OC(F)(F)F,bindingdb_649329
+Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCC[C@H]32)cc1,CHEMBL216355
+CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccc(-c3ccc4c(cnn4-c4ccc(F)cc4)c3)c(C(F)(F)F)c2)c(C(C)C)c1,CHEMBL1084716
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1C(F)(F)F,bindingdb_1184196
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(S(=O)(=O)c2ccc(C#N)cc2)[C@H]3C(C)C)cc1,bindingdb_123918
+CC(C)(N)[C@H](N)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652146
+Oc1ccc2c(-c3noc4cc(O)ccc34)cccc2c1,CHEMBL187393
+Cc1cc(OCc2cc(-c3ccc(N(C)C)cc3)cc(-c3ccc(N(C)C)cc3)c2)ccc1OCC(=O)O,CHEMBL210873
+NC(=O)[C@H]1CC(F)(F)CN1C(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649181
+Cc1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cnc1NS(C)(=O)=O,bindingdb_648007
+CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL1908373
+O=S(=O)(Nc1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL403178
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1,CHEMBL2407644
+CCn1nc(C(=O)NC[C@H]2CC[C@H](NS(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183659
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4cnc(C(F)(F)F)s4)CC2)O[C@@H](C)C3)nc1,bindingdb_1111705
+CN1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL558664
+CCN1CCC(n2ncc3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)CC1,bindingdb_168547
+CCCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183935
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NC(=O)c3ccccc3)c2)c(Br)c1,CHEMBL391945
+CCO[C@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3ccc(/C(C)=C/COc4ccc(C[C@@H](OCC)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O,CHEMBL2113000
+CCc1cc(CN2CCC3(CC2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206318
+CC1(C)Nc2c(cc(-c3cncc4nccn34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582121
+CO[C@@H]1CCN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C1,bindingdb_646550
+Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168515
+Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O,CHEMBL2392777
+CCC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651122
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)cc1F)C(F)(F)F,CHEMBL400609
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCCS(C)(=O)=O,bindingdb_55056
+CCN(Cc1ccc(C(F)(F)F)cc1F)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988769
+COc1ccccc1C(=O)C1CCCN(C(=O)CSc2ccccn2)C1,bindingdb_112219
+CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/c2nnc(C3CC3)o2)cc1,bindingdb_401285
+O=C(O)c1ccc(C(F)(F)F)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1017703
+O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1,bindingdb_1000017
+CCCc1c(OCCCn2ccc3ccc(OCC(=O)O)cc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL387261
+CCCCCCNC=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O,bindingdb_831433
+Cc1ccc(C2=CCC(C)(C)c3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)cc1,CHEMBL162393
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F,CHEMBL237377
+CCCc1c(OCCCN(C)c2ccc(CC(=O)O)cc2C)ccc2c(C(F)(F)F)noc12,CHEMBL209563
+Cc1nnc(/C=C/c2ccc(Oc3c(-c4ccccc4C(C)C)sc4cc(O)ccc34)cc2)o1,bindingdb_401598
+O=C(/C=C/c1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1)NCCC(F)(F)F,bindingdb_401098
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(C)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017532
+CCCc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1,CHEMBL231802
+CC[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1,bindingdb_1184028
+CCOc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)ccc1F,bindingdb_403137
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Br)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640873
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC)c(OC)c2)C1=O,CHEMBL3590272
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1184059
+O=Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12,CHEMBL365941
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CCC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270647
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(OCC2CC2(F)F)cc1OC,bindingdb_1184387
+CC(=O)c1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL239563
+Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL259055
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nc3ccccn23)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_653848
+Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1,bindingdb_17486
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(C)(C)C(N)=O)C[C@H]2O)c1F,bindingdb_988806
+CC1(C)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL487728
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(F)cc1Cl)CCC2,bindingdb_402078
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CC1,bindingdb_649787
+CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(=O)O,CHEMBL328099
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(Cc4ccccc4)c3)C2)CC1,bindingdb_653203
+CC[C@@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F,bindingdb_645482
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CC1,bindingdb_647857
+O=C(O)c1ccc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)nc1,CHEMBL4280310
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)c(O)c1,CHEMBL3814799
+O=C(O)Cc1coc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)ccc12,CHEMBL391068
+CNC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464442
+O=C(O)Cn1ccc2cc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)ccc21,CHEMBL202617
+Fc1ccc(CNc2nc3ccccc3n3cnnc23)cc1,CHEMBL1485768
+Cc1cccc2c1c(N1CCC(C(=O)O)CC1)nn2C(=O)c1c(Cl)cccc1C(F)(F)F,bindingdb_646969
+CC1(C)C(=O)NCCN1C(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647897
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1,bindingdb_1130844
+Oc1ccc2c(c1F)CCCC(c1ccc(C(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401234
+COCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c(C)c1C,CHEMBL495818
+CCO[C@@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O,CHEMBL178296
+CC1(C)CC(C(=O)N[C@H]2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1,bindingdb_650068
+CN1CCN(C(=O)c2nc(CC3CCCCC3)c(-c3ccc(S(=O)(=O)NC(C)(C)C)c4ccccc34)s2)CC1,bindingdb_647355
+CCCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_647027
+CNC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1,bindingdb_672427
+O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1,bindingdb_760442
+O=C(O)c1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)ccc1F,bindingdb_1018789
+COc1cccc(C(=O)c2sc(NC(C)C)nc2N)c1,bindingdb_760591
+Cc1c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nn(C)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183810
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4CC3CO4)cc2)cc1,CHEMBL434525
+Cc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1,bindingdb_648144
+CS(=O)(=O)N1CC2(CN(Cc3cc(F)c(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4Cl)c(C4CC4)c3F)C2)C1,bindingdb_206260
+CCN(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)S(=O)(=O)c1ccccc1,CHEMBL3094384
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1c2ccc(S(=O)(=O)CC3CC3)cc2CN1C(=O)CC1(O)CC1,bindingdb_650661
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)s2)cc1,CHEMBL3609385
+NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,CHEMBL1096979
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(CSc4cccc(N)c4)cc3)O[C@]12C(=O)CO,bindingdb_25349
+Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657160
+CC(CO)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1947183
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(SCc6ccccc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834540
+Oc1ccc2cc(-c3cc(F)c(O)c(F)c3)ccc2c1,CHEMBL191716
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)CO,CHEMBL503041
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL203885
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)C4(C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019144
+CN(C)C(=O)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646523
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C#N)c1,bindingdb_403473
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1,bindingdb_650324
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NCc3cccnc3)c2)c1)c1ccc2c(c1)OCOC2,CHEMBL3666814
+O=C(O)c1cn2c(n1)CN(CC13CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC1)CC3)CC2,bindingdb_1018916
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CC1,CHEMBL3233274
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CCN(c2cccc(C(=O)O)c2)CC1,CHEMBL1934311
+CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O,CHEMBL459972
+COc1cccc(Oc2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)c1,CHEMBL2037315
+O=C(c1cc(COc2cccc3cnccc23)on1)N1CCCC(CCCO)C1,bindingdb_539881
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3C3CCOCC3)c2Cl)cc1,bindingdb_168518
+CCc1nnc(NC(=O)CSc2ncnc3c2oc2ccccc23)s1,bindingdb_1026164
+COC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)N=C1C,CHEMBL1482201
+Oc1ccc2cc(-c3ccc(O)c(F)c3)cc(F)c2c1,CHEMBL363425
+Cc1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C#N)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_649195
+CCCc1nc2c(C)cc(Br)cn2c1Cc1ccc(C)cc1,bindingdb_1000158
+C/C=C\[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL246139
+Cn1cc(Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL516610
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc(OC(F)(F)F)c1,CHEMBL4071373
+CCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830773
+N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,CHEMBL1403999
+CCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O,CHEMBL3094432
+COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1,bindingdb_584178
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,DB09371
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC3CC4CCC3C4)ccc2O1,bindingdb_647110
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)(F)F)c(C)n2)[C@H]3C(C)C)cc1,bindingdb_270979
+N#Cc1ccc(C2=NOC3CCCC23)c(C(F)(F)F)c1,CHEMBL2159731
+CCOCCCNCc1ccc(OC)c(OC)c1,bindingdb_112185
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270624
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OCc3ccccn3)cc2/C1=[N+](/C)[O-],CHEMBL404004
+O=C(Cc1ccncc1)N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650349
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1)C(=O)O,CHEMBL78523
+CC(C)c1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778831
+CC([C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1)C(F)(F)F,bindingdb_1143351
+CC(C)OC(=O)N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998130
+C=CC[C@@H]1C2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C=C)CC[C@@H]1O,CHEMBL392000
+CCOc1sc(CC)nc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_646758
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ccc2Cl)N1CC(F)(F)F,bindingdb_404069
+O=C(O)c1cc(F)c2nc(N3C[C@H]4C[C@@H]3C[C@@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018549
+CCCC(CCOc1ccc(CCC(=O)O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1,CHEMBL212023
+CCCN(CCC)CCOc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1,CHEMBL3657145
+CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1cc(C(F)(F)F)ncn1,CHEMBL3960195
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCCC2,bindingdb_652161
+Cc1c(C(=O)O[N-]C(=[NH2+])c2ccccn2)cccc1[N+](=O)[O-],bindingdb_672664
+CC(C)(Oc1ccc(CCOc2nc3ccccc3s2)cc1)C(=O)O,CHEMBL2204699
+O=C1CCCC(c2ccc(O)cc2)CC1,CHEMBL4293632
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)NS(=O)(=O)C(C)(C)C)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647415
+COc1ccc(C2CCC(CN(c3cc(-c4cnn(C5CC5)c4)cc(C)n3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1C,bindingdb_1017574
+CC(C)CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL602851
+Oc1ccc(-n2c(-c3cccs3)nc3ccccc32)cc1,CHEMBL200903
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)c(F)c1,bindingdb_1018580
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)CC2CCN(S(=O)(=O)c3cccc4ccccc34)C2)s1,CHEMBL2059700
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(C(=O)O)cc4CCC3)ccc2N1,bindingdb_402616
+C[C@@H]1CCCN1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL183489
+O=C([C@H]1C[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CC2CCC(C1)O2,bindingdb_653211
+O=C(O)COc1ccc(SCc2ccc(F)cc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2,CHEMBL234666
+O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc1ccc(F)cc1F,bindingdb_1687
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)C3CCOCC3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653804
+C[C@]1(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC3C2)CC[C@H](C(=O)O)CC1,bindingdb_650103
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CNC(N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646988
+CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,bindingdb_69339
+COCCOc1cc(C)c(C(=O)n2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c(Cl)c1,bindingdb_655048
+N#CCCN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647864
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3Cl)CC2)cc1)C(=O)O,CHEMBL489172
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)N(C)C)c(C(F)(F)F)n1,CHEMBL3673694
+C[Si](C)(c1ccccc1)c1ccc(O)cc1,CHEMBL2313450
+Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)ncn1,bindingdb_168436
+C[C@]1(C(=O)O)CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_653543
+CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(O)n2)cc1,CHEMBL1427879
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O,CHEMBL3403701
+Oc1ccc(C2CNc3cc(O)ccc3C2)cc1,CHEMBL240370
+COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCCO2,bindingdb_672386
+O=C1c2ccc(O)cc2C(=O)N1c1cccc2c(O)cccc12,CHEMBL396947
+Oc1ccc2c3c(cnc2c1)-c1ccc(C(F)(F)F)cc1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050083
+O=C(O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(Cl)c1,bindingdb_1018157
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCC(F)F)nc3)C2)cc1C(F)(F)F,bindingdb_475721
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCC(O)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55098
+CCOc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1C,bindingdb_403324
+CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)nn(C)c1=O,CHEMBL3261333
+COCC(F)(F)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cn2)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402478
+CC(C)c1cc(C(=O)c2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965582
+O=C(C1CCC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)F)co2)c1,bindingdb_1019024
+CN1CCN(c2ccc(/C=C(\C#N)c3ccccc3Br)cc2)CC1,CHEMBL2030550
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C2CCC2)c2ccccc12,bindingdb_652263
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)N4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263775
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccc(F)cc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_647448
+O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1310699
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022125
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2ccccc2S(C)(=O)=O)c1,CHEMBL595045
+CCC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(C(C)C)n1,CHEMBL3598277
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccsc12)C(=O)O,CHEMBL484000
+COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C,DB00459
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1,CHEMBL3261407
+CC1CC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCS1(=O)=O,bindingdb_649311
+O=C1c2cc(O)cc(Br)c2C(=O)N1c1ccc(O)cc1,CHEMBL245133
+O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCCC3C(F)(F)F,CHEMBL267270
+C#Cc1ccc(CN2CCC(n3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(=O)c6ccccc6)cc5)cnc43)CC2)cc1,bindingdb_417553
+C[C@@H](Oc1cc(Cn2c(=O)n(-c3noc4cc(Cl)ccc34)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O,CHEMBL1946570
+O=C(O)Cc1csc(NC(=O)CN2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)n1,bindingdb_645384
+COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1OC)CCc1ccc-2c(OC)c1,CHEMBL258528
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1C1CC21,bindingdb_1018511
+CC(=O)NC1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCS(=O)(=O)CC1,bindingdb_648193
+Cc1ccccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1,CHEMBL4168263
+CCOC(=O)COc1ccc(/C=C2\NC(=S)N(CC)C2=O)cc1,bindingdb_112195
+C=C[C@H]1CO[C@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL194059
+O=C(O)C(Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1,CHEMBL572794
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1cncnc1,CHEMBL203423
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC(C)(C)CO)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183693
+CCC(Cc1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094471
+N#Cc1cc(C(F)(F)F)c2[nH]c3c(c2c1)CCCC3(O)C(F)(F)F,CHEMBL3682526
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)ccc1F)Oc1ccccc1-3,CHEMBL137103
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(CCO)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645857
+O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650886
+CCC1=C(C(C)C)/C(=C/C(C)=C\C=C/C(C)=C/C(=O)O)CCC1,CHEMBL43833
+COc1ccc2sc(SC(C)C(=O)O)nc2c1,CHEMBL583774
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2,CHEMBL4104286
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc12,CHEMBL3695770
+CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,DB14013
+C[C@](O)(CNc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL3967889
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1c(F)cc(C[C@@H](C)C(F)(F)F)cc1F,bindingdb_1183043
+C=CCOCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL202897
+C[C@]1(C(=O)NC(=O)C2(c3ccccc3)CCCCC2)CCC[C@]2(C)c3ccccc3CC[C@@H]12,CHEMBL194573
+CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)C,CHEMBL3775499
+Oc1ccc2c(c1)O[C@@H](c1cccc(OCCN3CCCCC3)c1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087041
+O=C(O)C(Oc1ccc(Cl)cc1F)c1ccccc1,CHEMBL1956370
+COc1ccc2c(c1)C1CC1(C(=O)N1C[C@@H](C)N[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126859
+CCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3805170
+O=C(O)c1cc(OCC2CC2)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1018111
+O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cccc(-c2ccccc2)c1,CHEMBL3263232
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCCC(F)(F)F)O2,bindingdb_645218
+O=S(=O)(c1ccc(F)cc1)[C@@]12CC[C@@H](NCc3ccccc3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_650074
+COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)cc(Br)cc2F)c1OC,CHEMBL243719
+CCCCCCOc1cc(C)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(C)c1,CHEMBL557091
+CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,CHEMBL3673703
+C[C@H]1Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SCC3)ccc2O1,bindingdb_403691
+O=C(C1CCC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)cs3)(CC1)CC2)c1cccc(-c2coc(C3CC3)n2)c1,bindingdb_1018588
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N2CC(C(F)(F)F)C2)cc1OC,bindingdb_1183909
+C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C,CHEMBL439234
+CCS(=O)(=O)c1ccc([C@H](CC(=O)O)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271146
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cncnc2[nH]1)C(F)(F)F,CHEMBL3126954
+CC1(C)OC(S)=Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21,CHEMBL24581
+CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O,CHEMBL513886
+CC(C)CCN1Cc2cc(CC(C)C)c(N)cc2N[C@@H](CC(C)C)C1=O,CHEMBL1087253
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(F)c2[nH]1)C(F)(F)F,CHEMBL1911544
+Oc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(Cl)cc3)sc2c1,CHEMBL3764317
+COC(=O)/C(=C1/Oc2cc(C)oc(=O)c2S1)C(F)(F)F,bindingdb_584354
+COC(=O)c1ccccc1[C@@](O)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL2282520
+O=C(NS(=O)(=O)C1CC1)c1ccc([N+]2([O-])C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017687
+O=C(O)COc1ccc(SCc2ccc(OCc3ccc(Cl)cc3)cc2)c2c1CCC2,CHEMBL234661
+NCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3422039
+Cc1cc(SC(CCCCCCCCCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037583
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC13CCC3)O2)C(F)(F)F,bindingdb_645905
+CC(C)C1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,CHEMBL3672843
+CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,DB09064
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ncc1C(=O)N(C)CCCO,bindingdb_125948
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4Br)no3)cc12,bindingdb_965524
+CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1,CHEMBL220635
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CCC(F)(F)F)cc1F,bindingdb_1182917
+CCc1ccc(-c2nccc(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL392474
+N#Cc1ccc(C=NN=C(N)N)cc1,bindingdb_112200
+CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,DB13857
+Cn1c(COc2cccc(-c3c(Cc4ccccc4)nnc4c(C(F)(F)F)cccc34)c2)cc2ccccc21,CHEMBL561450
+CC(F)(F)C1CCC(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)CC1,bindingdb_1130843
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(CNC(=O)c2cccnc2)c(F)c1,bindingdb_18555
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019034
+O=C(O)c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc4ccccc4c3)cc2Cl)c1,CHEMBL231899
+O=C(O)c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1,CHEMBL3822464
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(CCc2ccccc2)c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL427601
+CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2,CHEMBL208929
+Cc1cn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_18541
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(C(=O)O)nnn2-c2ccccc2)cc1,CHEMBL514174
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402834
+CS(=O)(=O)c1ccccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1,CHEMBL2204044
+CCCCn1c(=O)c2ccccc2c2c(OC)c(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1765165
+Cc1cc(C#CC(/C=C\COc2ccc(OCC(=O)O)c(C)c2)c2ccc(Br)cc2)ccc1F,CHEMBL234905
+COCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,CHEMBL524104
+C[C@H](c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1)S(C)(=O)=O,bindingdb_645360
+Cc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1,bindingdb_68991
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC(C(C)C)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018141
+COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,CHEMBL1468124
+CCN(Cc1ccc(-n2cccn2)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988931
+Oc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1,CHEMBL389394
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc([C@@H]2CCCO2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270885
+COc1cc2c(C#N)c(N3CCN(c4ccccc4OC)CC3)nc(N)c2c(N)n1,bindingdb_760485
+COc1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1,bindingdb_539796
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)cc(F)c1O,CHEMBL236499
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CCC4)nc3n(C(C)C)c2=O)nc1,bindingdb_649535
+Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(Cl)c2c1,CHEMBL198410
+CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760416
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(Cl)nn3cccc23)c1)C12CC(F)(C1)C2,bindingdb_1017573
+CCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL205936
+Cc1cc(SC/C=C\C(C#Cc2ccccc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL393186
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc2Oc2c(F)cccc21,bindingdb_1054322
+COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CCC(F)(F)F,bindingdb_649424
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1182821
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2Cc2ccc(F)cc2)c(Cl)c1Cl)C(F)(F)F,CHEMBL4126317
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL427568
+COC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C,bindingdb_123891
+CSc1nc2c(c(=O)[nH]1)C(c1cccs1)C1C(=O)CCCC1=N2,bindingdb_830819
+CCOc1cc(/C=C2\C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)ccc1O,CHEMBL1412087
+COc1ccc(-c2nc(Cl)c(-c3ccccc3)c(Oc3ccc(OCCN4CCCC4)cc3)n2)cc1,CHEMBL4243073
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(-n4cnnn4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054249
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_646486
+O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2-c2ccc(Cl)cc2)c1Cl,bindingdb_417531
+Cn1ncnc2c(=O)n(C)c(=O)nc1-2,bindingdb_89234
+CC(=O)N1CCN(C(=O)N2C[C@@H](S(=O)(=O)c3ccc(F)c(C4CC4)c3)[C@H](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_645904
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)C(C)C)cn1,CHEMBL374323
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN(C)C)c(Cl)c1,CHEMBL550761
+CNS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_206432
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760411
+CN(C)c1ccc([C@H]2OC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL561257
+CC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O,CHEMBL2407649
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)[C@H](O)c1ncccn1,bindingdb_655051
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCC#CCN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O,CHEMBL3814026
+C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3,CHEMBL464453
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H]([C@@H](C)NC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645277
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C,CHEMBL2104744
+O=S1(=O)CCN([C@H]2CC[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,bindingdb_651443
+Cc1nc2c(-c3ccc(Cl)cc3)cnn2c(N)c1-c1ccc(F)cc1,bindingdb_35519
+O=C(Cc1cnn(-c2ccccc2)c1)c1ccc(O)c(O)c1O,CHEMBL1486827
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4oc(CC)nc4c3)C[C@@]21C,CHEMBL1950695
+O=C(Oc1ccc2ccc(O)cc2c1)c1ccccc1F,CHEMBL2071173
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)O[C@]12C(=O)CO,bindingdb_17391
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3S(=O)C2)c(F)c1,bindingdb_17516
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCC(F)(F)F)cc1OC(F)F,bindingdb_1184094
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CC[C@]4(CC3)CC4(F)F)[C@@H](c3ccccc3)C2)c1,bindingdb_1130804
+COc1ccc(C2SC(C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1,CHEMBL2037185
+Cn1ncc2c1CN(C(=O)C1CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C1)C2,bindingdb_648418
+COc1ccccc1C(=O)c1sc(N)cc1-c1cccc(C(F)(F)F)c1,CHEMBL4291888
+CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)NC)cc3)ccc21,CHEMBL4213014
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@]2(C)COC)cc1F,CHEMBL3588961
+CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC(C)C(=O)NCCO,bindingdb_112106
+CCOc1ccc(N2C(=O)c3ccccc3C2O)cc1,bindingdb_982666
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cc12,CHEMBL3699386
+O=C(O)CCc1ccc(OCCN(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)cc1,CHEMBL391180
+FC(F)(F)c1ccc(/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL175493
+CC#C[C@@]1(O)CC[C@@]2(CC)c3ccc(OCc4ccncc4)cc3CC[C@@H]2C1,CHEMBL457035
+FC(F)(F)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL361212
+O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,2r6y
+COc1cc(/C=C/c2ccc(C3=C(c4ccc(O)cc4)C4CC(S(=O)(=O)Oc5ccc(Br)cc5)C3O4)cc2)cc(OC)c1,CHEMBL4206696
+O=C(c1ccccc1)c1ccccc1,DB01878
+Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl,bindingdb_1026129
+Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CC(c1ccco1)C2,bindingdb_55706
+CCCCCOc1ccccc1C(O)CC#CCCCC(=O)O,CHEMBL1207237
+CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cc1,CHEMBL2022406
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3C)cc2)c2ccc(O)cc12,CHEMBL3657149
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cn1cncn1,bindingdb_653982
+Cc1cc(Cl)ccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1,CHEMBL3314025
+CC[C@H](O)Cn1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_651131
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(c2)OC(C)(C)C=C3c2cccc(C(F)(F)F)c2)cc1)C(=O)O,CHEMBL202631
+Cc1ccc(S(=O)(=O)N(CC(=O)OC(C)(C)C)Cc2ccc([N+](=O)[O-])s2)cc1,CHEMBL2059547
+COc1cc(S(=O)(=O)N2C[C@H](C[C@H](C(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647540
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3c(C#N)cccc23)C(F)(F)F)c(C)c1,CHEMBL3093452
+Oc1ccc2c(c1)OCCC(c1ccc(OC3CC3)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401257
+O=C(O)C1(c2cccc(C(O)C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)c2)CC1,bindingdb_1017462
+Oc1ccccc1-c1cc(-c2ccc3c(c2)OCCO3)[nH]n1,bindingdb_69200
+Cc1ccccc1Oc1ccc(C#N)cc1Cl,CHEMBL490955
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@@H](C(N)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_651534
+CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)N3CCCCC3)cc2)c1-c1ccccc1,CHEMBL193865
+COc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC,bindingdb_760197
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccn(C)c2=O)c1)c1ccccc1,CHEMBL4217070
+CN(Cc1cnn(C)c1)C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_647492
+Cc1cc(C)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1,CHEMBL513768
+C[C@@H](c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1)S(=O)(=O)C1CC1,bindingdb_650071
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105674
+Cc1nnc(SCc2ccccc2)n1N,bindingdb_112122
+COC(=O)c1ccc2c(N(CC3CCN(c4ccc(OC)c(C)c4)CC3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1017476
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc(N(C)C)cc1,bindingdb_647212
+Cc1noc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n1,bindingdb_475592
+Cc1cc(OCc2nnc(SCCC(=O)O)n2-c2ccccc2)ccc1Cl,CHEMBL1380908
+Cc1ccc(Cl)c2cc(-c3nc(-c4ccc(C(=O)O)cc4Cl)no3)oc12,bindingdb_965522
+CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)ccc2C(C)C)c1C,bindingdb_539934
+Cc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)O)c(C)c3)c2)c(C)c1,CHEMBL393939
+COc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1,bindingdb_292643
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1[nH]c(=O)c1cc(F)ccc12,CHEMBL4175249
+CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CHEMBL420973
+CCc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1,CHEMBL1550294
+O=C(O)/C=C/c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3ccccc23)cc1,CHEMBL3427409
+N#Cc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C(N)=O)S2(=O)=O)cc1C(F)(F)F,CHEMBL3893320
+O=C(O)c1ccc(OC[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1,bindingdb_846230
+CC1NC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419298
+O=C(Nc1cccnc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CHEMBL1588288
+CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(=O)O)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL3981654
+COC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)OC)cc3)nc2Oc2c(F)cccc21,bindingdb_1054340
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1,CHEMBL3086016
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183311
+CSCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL255918
+COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,CHEMBL1477682
+CCS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL243790
+CCCC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nc(F)c3c1C2,CHEMBL384268
+CC(=O)SCCC(CCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1)SC(C)=O,CHEMBL212737
+Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O,CHEMBL4240461
+CCOc1ccc(-c2cc(C)n3nc(C(N)=O)cc3n2)cc1,bindingdb_91267
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(Cl)ccn3)cc21,CHEMBL4168900
+CC[C@H]1c2ncc(C(=O)N[C@@H](COC)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@@H]1CC[C@@H](C(F)(F)F)OC1,bindingdb_270540
+CCS(=O)(=O)c1ccc([C@H](CCO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_271202
+O=C1C=C2c3ccc(O)cc3CC2(Cc2ccccc2)CC1,CHEMBL377565
+Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206539
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(CC3(C)CC3)c2=O)nc1,bindingdb_653817
+Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccccc1[N+](=O)[O-],CHEMBL378881
+CCC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL366470
+CCOC(=O)c1c(C)oc2c1c(C(c1cccnc1)N1CCCCC1)c(O)c1ccccc12,CHEMBL1337538
+Cc1c(CO)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1,CHEMBL1934436
+C[C@@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC(F)CC2)cn1)C1CC1,bindingdb_1182914
+COc1ccc2c(c1)c(Cc1ccccc1OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL181087
+O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2nc[nH]c2c1,CHEMBL4075456
+Cc1cccc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc2c(c1)OCO2,CHEMBL2312130
+CS(=O)(=O)C1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645632
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C#N)Oc1ccc(F)cc1-3,CHEMBL62731
+CCC(Cc1ccc(OC)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094481
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,DB00367
+Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1,CHEMBL464497
+Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,bindingdb_69113
+COC(=O)c1cnc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1,bindingdb_1004482
+CCC(=O)N(C(=O)CC)c1ccc(SC[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL121962
+O=C(c1c(Cl)cccc1C1CC1)c1nc(N2CCC(C(=O)O)C(O)C2)c2ccc(C(=O)N3CCC3)cn12,bindingdb_998319
+CCN1CC2CC(C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2,CHEMBL3126835
+C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1,bindingdb_430621
+O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccc1,CHEMBL246144
+C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CSCCNC(=S)NCCNC(=O)c1cc(NC(=O)c2cncn2C)cn1C,CHEMBL524378
+COc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1,CHEMBL270961
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(O)C(F)(F)F)O2)C(C)=CC(C)(C)N3,bindingdb_1057273
+CC(C)(C)c1ccc(-c2ccsc2C(=O)c2ccccc2Cl)cc1,CHEMBL4292527
+CSc1ncc2c(n1)-c1cc(C)ccc1SC2,CHEMBL1505040
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCC2(CCNC2=O)CC1,bindingdb_652501
+Oc1nnc(Cc2ccccc2Cl)c2ccccc12,CHEMBL378274
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)N)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1182942
+CC(C)c1cc([S+]([O-])c2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O,CHEMBL3261329
+C[C@@H](O[C@H]1CN2C(=O)CC(N)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1090742
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1cc(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc1C(C)C,bindingdb_206224
+C[C@H]1OC(=O)N(c2ccc(C#N)c(Cl)c2)[C@H]1[C@@H](O)C(F)(F)F,bindingdb_506253
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCC[C@H]1O,bindingdb_650526
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n(C3CC3)c2=O)cn1,bindingdb_646207
+COc1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1,CHEMBL427498
+O=C(O)CC1=CCc2ccc(F)cc21,CHEMBL505553
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccc(C)cc23)C(F)(F)F)c(C)c1,CHEMBL3093446
+Cn1cnc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc21,bindingdb_402453
+CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL198529
+Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2,6dgo
+COc1cccc(C(C)(C)CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)c1,bindingdb_1127553
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)c1Cl)n2C,bindingdb_206690
+O=C(O)C(Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1,CHEMBL583759
+C=C(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206264
+CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1,bindingdb_1746
+COC(c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F,CHEMBL3094380
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)c(F)c3)C(C)(C)C2=O)ccc(C#N)c1F,bindingdb_511782
+CCC(NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL1825104
+Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3ccccc3)n2)c1C,CHEMBL461409
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCOC3)c(F)c1,bindingdb_647065
+COc1cccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1,CHEMBL3986969
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCCO2,bindingdb_417287
+C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(C)CC[C@]4(C=C)[C@H]3CC[C@@]21C,CHEMBL249904
+O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CHEMBL1576895
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403447
+COC(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1,bindingdb_584038
+O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c(C(F)(F)F)c1,CHEMBL1668259
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ncc2F)N1CC(F)(F)F,bindingdb_403071
+O=C1c2ccccc2C(=O)N1CC#CCN1CCN(C2CCCCC2)CC1,CHEMBL1621891
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Oc3ccccc3)c(F)c2)CC1,bindingdb_646149
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCN1CCN(CCOCc2ccc(O)c(C(N)=O)c2)CC1,CHEMBL347556
+CCc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(=O)O,CHEMBL392456
+CC(C)(O)c1ccnc(-c2cncc([C@]34CC[C@H](C3)c3cc(-c5c(F)cccc5F)nnc34)n2)c1,bindingdb_653494
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCOC2)cn1,CHEMBL222171
+CC(Nc1ccccc1)=C1C(=O)NC(Cc2ccccc2)C1=O,bindingdb_69234
+N#Cc1ccc(-c2ccc(O)cc2)cc1C(F)(F)F,CHEMBL235378
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C[C@H]1CO,bindingdb_645356
+CC(C)(O)c1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1,CHEMBL3262348
+Cc1c(N2C(=O)O[C@@H](C)[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,bindingdb_29776
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCCCCC(=O)NO)nn1,bindingdb_475607
+Cc1c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nn(C)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183901
+COCC(C)(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402865
+Cc1cc(SCc2nsc(-c3ccc(Cl)cc3)n2)ccc1OC(C)(C)C(=O)O,CHEMBL406944
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ncnn3CS(C)(=O)=O)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651280
+CCC(Cc1cccc(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094473
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F,6suo
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184280
+CCc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL595936
+CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,DB01229
+C[C@@H](C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@H]1C(=O)O,CHEMBL3138041
+COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C,bindingdb_654620
+CC(C)c1cc(Oc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965546
+CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O,bindingdb_78772
+Cc1ccc(-n2nc3c(=O)n(C(C)C(=O)NCc4ccccc4Cl)nc(C)c3c2C)cc1,bindingdb_539902
+O=C(Nc1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2,bindingdb_69019
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2Cl)c2c1CCCC2,CHEMBL496807
+COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)F,bindingdb_400950
+Cc1cccc2cc(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)c(O)nc12,CHEMBL1521410
+C[C@]1(O)C[C@@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_650308
+CSc1ccc(C2=NNC(c3ccccc3)S2)cc1,bindingdb_999918
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)C4CCS(=O)(=O)C4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_653229
+Cc1c(-c2ccc(C(=O)O)cc2F)c2ccccc2n1C(=O)c1c(Cl)cccc1C(F)(F)F,bindingdb_653755
+CC(O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL3827008
+CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)O1,bindingdb_539892
+CCn1cc(S(=O)(=O)N2C[C@@H](C[C@@H](C(N)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_652495
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3cccc(Cl)c23)cc1O,bindingdb_998305
+N#CC1=C2c3ccc(O)cc3CC2(c2ccccc2)CCC1=O,CHEMBL211739
+CCCN1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209903
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087291
+CC(C)(Oc1ccc(COc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204686
+Cc1cc2cc(OCC(=O)O)cc(Cl)c2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3397339
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4cccc(Cl)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_654817
+Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCCO4)nc2n1,bindingdb_69046
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc([C@@H]4CCS(=O)(=O)C4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650225
+O=C(O)CCN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S,bindingdb_1003850
+Cc1cc(C)c(Sc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1,CHEMBL462234
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ccc(F)cc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263841
+O=C(O)c1cccc2c1NC(c1ccc(O)c([N+](=O)[O-])c1)C1CC=CC21,bindingdb_1016137
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@@](C)(O)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645286
+CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1,bindingdb_647922
+C/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL397018
+CCS(=O)(=O)Cc1nnc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)[nH]1,bindingdb_653053
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(F)nc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL258521
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183444
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(C(F)(F)F)c2)c1,CHEMBL4165227
+CC(C)(Sc1nc2ccc(C(F)(F)F)cc2s1)C(=O)O,CHEMBL572676
+COc1ccc(CN=Nc2nc3ccccc3s2)cc1O,bindingdb_672564
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_646269
+O=C(Cc1ccncc1)N[C@H]1C[C@@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652104
+O=C(O)c1ccc2c(c1F)CCCC(c1ccc(F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402702
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4ccc(C(F)(F)F)nc4)CC2)OC(C)C3)cc1,bindingdb_122358
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1,CHEMBL3335662
+CC(C)c1cc(Oc2c(Cl)cc(NCC(=O)O)cc2Cl)n[nH]c1=O,CHEMBL3261324
+COc1ccc(N2Cc3cccc(C(=O)O)c3C2=O)cc1,CHEMBL1426947
+O=C(c1ncc[nH]1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3736379
+Cc1nn(C)c2ncc(C(=O)Nc3cccc(Cl)c3)c(Cl)c12,bindingdb_168402
+Cc1cccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)c1,CHEMBL238745
+Oc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3C2)cc1,CHEMBL381645
+c1ccc(-c2ccc(N3CCOCC3)s2)cc1,CHEMBL3323470
+Cc1cc(SC(Cc2ccc(F)cc2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035060
+CC(C)(Sc1nc2ccc(Br)cc2s1)C(=O)O,CHEMBL572674
+N#Cc1cc(-c2cc(F)c(O)c(F)c2)cc2ccc(O)cc12,CHEMBL195154
+N#CC1(c2cccc(Cl)c2C(=O)n2nc(C3=CCC(C(=O)O)CC3)c3c2CCC3)CCC1,bindingdb_651805
+CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3C)cn2)CCO1,bindingdb_558650
+O=C(O)Cc1ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_672525
+COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3,bindingdb_69256
+c1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccccc2)cc1,bindingdb_112278
+Cc1ccc(-c2nsc(CSc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1C,CHEMBL409513
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,CHEMBL1162
+O=c1ccc(-n2cnc3cc(O)cc(O)c3c2=O)c[nH]1,bindingdb_831525
+Cc1oc(-c2ccccc2)nc1CCNc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1,CHEMBL477323
+Cc1ccc(CC(Oc2ccc(Cl)cc2)C(=O)O)cc1,CHEMBL449099
+Cc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)o1,CHEMBL1976499
+O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL3940435
+C=CCN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C,CHEMBL365035
+COc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL360919
+Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)C(C)C)s1,bindingdb_1183146
+CCOC(=O)C1=NN(c2cccc(Cl)c2)C2=NC(C)=C(C(=O)OC)C(c3cccs3)N12,bindingdb_112145
+CCCCCS(=O)(=O)NC(=O)CCc1cc(C(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933833
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3)cc21,CHEMBL380695
+CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1,CHEMBL2403349
+CCCc1c(OC(C)(C)C(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL363369
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4CCC3CC4)cc2)cc1,CHEMBL361056
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(CCC)C(=O)O)c(C)c1C,CHEMBL1760270
+CC1CCN1C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648063
+O=C(O)C12C3C4C1C1C2C3C41C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652140
+O=C(N[C@@H]1CC[C@H]1O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183237
+O=C(O)c1cc(OC(F)F)c2cc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017667
+Cc1cc(/C=C2\SC(=O)N(C(C)c3ccccc3C#N)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1,CHEMBL3234270
+Cc1ccc(N=CC(C(=O)c2ccco2)C(=O)C(F)(F)F)cc1Cl,bindingdb_999897
+COC(=O)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_1000225
+CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2ccccc2n1Cc1ccccc1,CHEMBL4218272
+CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL2386285
+O=C(O)c1ccc(-c2nn(C(=O)CN3CCCC3=O)c3ccccc23)c(F)c1,bindingdb_55084
+CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12,bindingdb_988698
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)(F)F)c(Cl)c2)[C@@H]3C(C)C)nc1,bindingdb_270810
+Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(=O)O,CHEMBL237484
+CCN(CC)c1ccc2cc(NC(=O)CCC(=O)O)c(=O)oc2c1,bindingdb_760153
+CC(C)[C@H]1c2ccc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271204
+CC(C)(O)CC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651447
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc(Cl)c2)no1,CHEMBL1341012
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1,CHEMBL1917245
+CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL202246
+COc1ccc(-c2ccc(COc3ccc(OCC(=O)O)c(C)c3)cc2-c2ccc(OC)cc2)cc1,CHEMBL207957
+Cc1ccc(S(=O)(=O)CC2CSc3nc4ccccc4n32)cc1,bindingdb_540000
+CCCCCCC1=C(c2ccccc2)[C@]2(OCCC)CCC[C@@H]2C1,CHEMBL1765927
+O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1,CHEMBL513244
+C=C[C@@H]1CO[C@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL194013
+CN(Cc1ccccc1)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348927
+O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1,CHEMBL3758919
+O=C1C=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CC1,CHEMBL212923
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](C(N)=O)O2,bindingdb_647473
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL82034
+NNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12,bindingdb_112157
+CC(C)(C[C@@](O)(Cc1cc2ccc(C#N)cc2[nH]1)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2,CHEMBL1911664
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)cc1,CHEMBL3398459
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cc(CO)n[nH]3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648619
+CS(=O)(=O)NC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(Cl)c1,bindingdb_1017595
+CC(C)(C)NC(=O)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_651417
+CCc1cc(-c2ccsc2/C=C/C(C)=C/C(=O)O)c(OCCCF)c(C(C)(C)C)c1,CHEMBL339298
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CC(O)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_206472
+Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1C(F)(F)F,CHEMBL3640860
+N#Cc1ccc(S(=O)(=O)N(CCCc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4069804
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C[C@H]1COCCN1,CHEMBL4172522
+Cc1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3678159
+CCNc1nn(CC)cc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647403
+CCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1,CHEMBL3920527
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)nc5)c4)(CC2)CC3)n1,bindingdb_1018348
+CCC(CC)(c1ccc(O)cc1)c1ccc(O)c(C)c1,CHEMBL2403346
+c1ccc(N2CC3COc4ccccc4C3=N2)cc1,bindingdb_1000242
+C[C@@]1(CO)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@H]5COC(=O)C5=CC[C@H]4[C@]3(C)CC[C@@H]12,CHEMBL251695
+Cc1nc2ncc(-c3cccc(N(CC45CCC(c6nc(C(C)C)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1017959
+CCc1nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc2n1Cc1cccc2c1OC(F)(F)O2,bindingdb_271139
+O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/OCCc2ccccc2)cc1,CHEMBL3559036
+Cc1ccccc1N1C(=O)c2sc3nc4c(c(=O)n3c2C1=O)CCC4,CHEMBL1424125
+CC(=O)n1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2c(C)cc(C(F)(F)F)cc21,bindingdb_206569
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(O)ccc3o2)c1)C(=O)O,CHEMBL245664
+CCc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(CC)c1CC(F)(F)F,bindingdb_651601
+CCn1c2ccccc2c2cc(NC(=O)CCCCC(=O)Nc3ccc(C#N)cc3)ccc21,CHEMBL4228551
+C#Cc1c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nc(CC)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182768
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(F)c1F,CHEMBL1760403
+CC(C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)n1,bindingdb_17583
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3C4CCC3CC4)cc2)cc1,CHEMBL368688
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2c(C)cccc2C)c(C)c1,CHEMBL3261166
+CCC#CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1,CHEMBL254541
+CC1CCCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cc(-c3ccccc3)ccc2O)C1,CHEMBL2326411
+C[C@]1(C(=O)O)CC[C@H](c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)CC1,bindingdb_646656
+COC(C)(C)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C2(C)CC2)c1,bindingdb_646382
+Cc1c(C(O)(C(C)C)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3819303
+CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB13003
+O=C(O)c1ccc2nc(N3CC[C@@H](OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)sc2c1,CHEMBL4089107
+Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1,bindingdb_89267
+O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,CHEMBL3314496
+Cc1ccc2nc(-c3ccc(F)c(Cl)c3)c(NCc3ccccc3)n2c1,CHEMBL4060783
+C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C(CO)CCO)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,CHEMBL3313987
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CN)O2)C(F)(F)F,bindingdb_646571
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(C(=O)O)c3)sc2c1,CHEMBL558143
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)N3CCCCC3(C)C)c3ccccc23)CC1,bindingdb_647216
+Oc1ccc(/C(=N\c2ccc(Br)cc2)c2ccc(O)cc2O)cc1,CHEMBL3234635
+CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCC3)s1,bindingdb_100134
+COc1ccc(OC(=O)N(CCCCCCc2nc(-c3ccc(C)cc3)oc2C)CC(=O)O)cc1,CHEMBL481683
+C[C@]1(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC[C@H](C(=O)O)CC1,bindingdb_653066
+COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3930349
+O=C(O)CCc1cccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c1,CHEMBL225017
+Cc1c([C@H](C)NC(=O)Cc2c(-c3ccccc3)[nH]c3ccccc23)n(Cc2ccc(OCCN3CC[C@H](C)C3)cc2)c2ccc(O)cc12,CHEMBL437190
+O=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21,CHEMBL1467405
+Nc1nc(-c2cccc(Br)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4227440
+CCOc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1,bindingdb_988714
+CCCC12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,CHEMBL377694
+Cn1c(=N)n(CC(=O)c2ccc(Br)cc2)c2ccccc21,bindingdb_999956
+CCC(Cc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)O,CHEMBL3763491
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nccc(OCC(F)(F)F)n1,bindingdb_1130737
+CCn1c(CCC(=O)Nc2cccc(Cl)c2C)nnc1CCC1CCCCC1,CHEMBL3775781
+CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)C(c3ccccc3)C2)c1,CHEMBL3813875
+Cc1cc2nc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)c(C)n2nc1Cl,bindingdb_647969
+N#CCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12,CHEMBL186874
+Cc1ccc(NC(=O)CCc2nnc([C@H]3C[C@H](CC(C)C)C3)n2C2CC2)c(C)c1,CHEMBL3775304
+CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1,CHEMBL3962742
+COc1c(C(=O)Nc2ccc(CC(=O)O)cc2)cccc1C(C)(C)C,CHEMBL4248754
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F,CHEMBL238044
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315051
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2[nH]ncc2c1,CHEMBL2426658
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cncn2)cc1,CHEMBL605520
+Cc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1,bindingdb_112163
+COc1ccc(C(=O)Nc2cnc3c(c(C4[C@@H]5CC[C@H]4CN(C(=O)C(C)C)C5)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_648365
+Cc1ccn2c(Cc3ccccc3)c(-c3ccc(Br)cc3)nc2c1,bindingdb_55526
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC[C@@]4(O)CC[C@@]5(C)[C@H](C[C@@H](O)[C@@H]6[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]65)C4)cc3)C[C@@]21C,CHEMBL409123
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3,CHEMBL336169
+CC(=O)Nc1cc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(C(C)C)n1,CHEMBL3598219
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270795
+Cc1nc2ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc3c2s1,bindingdb_953795
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12,CHEMBL3678133
+Cc1cc(C(=O)NC[C@H]2CC[C@H](Oc3ccnc4c(F)cccc34)CC2)no1,bindingdb_475924
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168456
+C[C@H](O)C(=O)Nc1ccc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_649345
+CCc1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL419721
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3CC(F)(F)F)sc3cc(O)ccc23)cc1,bindingdb_401635
+COc1ccc(C(=O)Nc2cccc(Oc3ccc(O)cc3)c2C)cc1,CHEMBL4162430
+Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccc(F)cc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL2023241
+CC(C)CN(Cc1ccc(N[C@@H]2CC[C@H](CC#N)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_646062
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(Cl)c(C#N)c4)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1018087
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2ccccc2)cc1,CHEMBL1645393
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCOCC3)C2)cc1,CHEMBL270838
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c3ccc(F)cc3c(=O)n(C)c12,CHEMBL4173799
+O=C1C(=O)N(CCN2CCOCC2)C(c2cccc(Cl)c2)C1C(=O)c1ccc2c(c1)OCO2,bindingdb_939524
+Cc1cc(C)c(CN2CCN(C(=O)Cn3cnc4c(NCc5ccccc5)ncnc43)CC2)c(C)c1,bindingdb_539828
+O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1F,CHEMBL1956364
+Cc1c(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)ccc(C#N)c1Cl,CHEMBL3084690
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C(=O)O)c1ccccc1,CHEMBL215327
+Cn1cc(-c2cc(NC(=O)NCc3ccc(CC(=O)O)cc3)ccc2-c2ccccc2OC(F)(F)F)cn1,bindingdb_651155
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCc1ccco1,CHEMBL1548186
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccco4)oc3C)ccc21,CHEMBL199855
+COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Br)c1,bindingdb_672448
+C[C@H](NCC(F)(F)F)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_648507
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183310
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL197946
+CCN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl,CHEMBL523211
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(CC2CC[C@H](C(F)(F)F)OC2)[C@H]3C(C)C)cc1,bindingdb_271003
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)NCCCCCCc2ccc(C(=O)C(F)(F)F)s2)c(F)c1,CHEMBL3908221
+CCOC(=O)Nc1cc2c(cc1F)CC1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=S)N1C2,CHEMBL4161910
+CCCC1=N[C@@H](CCCCN2C[C@@H](C(C)(C)C)N(CCc3ccccc3)C2=S)CN1,CHEMBL4067157
+Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1,CHEMBL520107
+CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_402534
+COc1ccc(C#N)cc1C(=O)Nc1cnc2c(c(C3CCN(C(=O)[C@H](C)C(C)(C)C)CC3)cn2C)c1C,bindingdb_645122
+CCN(C/C=C/C(C)=C/C(=O)O)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL427391
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CC(=O)N1CCC1)O2,bindingdb_649007
+CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)OCCO2,CHEMBL1316881
+COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1,bindingdb_91233
+COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,bindingdb_55673
+COc1ccc(C(=O)Nc2ccc3ccccc3c2)c(OC)c1,bindingdb_672464
+FC(F)(F)c1ccc(Cl)c(COc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)c1,CHEMBL554698
+COc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2,CHEMBL380623
+CCC(Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL245866
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(OCCNCCCF)cn2)N1CC(C)(C)F,bindingdb_402444
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@@](C)(=N)=O)c2)cc1,CHEMBL4226803
+CCCCS(=O)(=O)Nc1ccc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1,CHEMBL253109
+Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221525
+O/N=C/c1ccc(-c2ccc(O)cc2)c(Cl)c1O,CHEMBL405154
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccn3cnnc3c2)c1)C12CC(F)(C1)C2,bindingdb_1017795
+CCCCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccc(F)cc1,CHEMBL523138
+O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(Cl)cccc34)c2)cc1,bindingdb_757531
+O=C(O)c1cc(F)c(-c2nn(Cc3ccccc3C(F)(F)F)c3cccc(F)c23)cc1O,bindingdb_651939
+N#Cc1ccc(N2CCC(O)(c3ccccc3)C2)cc1Cl,CHEMBL2337507
+COc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1,bindingdb_650829
+CCc1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1017626
+COc1cccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)c1,CHEMBL4291468
+Cc1c(Cl)c(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682431
+CCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_168396
+CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(CC(CC)C(=O)O)cc1,CHEMBL1813197
+O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@@H]1[S+]2[O-],CHEMBL2031314
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1,bindingdb_45549
+Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(NCCCl)cc3)sc2c1,CHEMBL226379
+Cc1c(C(=O)Nc2nccs2)oc2ccccc12,bindingdb_672458
+Fc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1,bindingdb_539978
+CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21,CHEMBL1627354
+Cc1nc2cc(C(=O)NCc3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1,CHEMBL1825105
+C#CCOc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1,CHEMBL372913
+CC(/C=C/CC1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1)=C\C(=O)O,CHEMBL89058
+O=C(O)CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,CHEMBL194242
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCNC(=O)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55059
+COC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230372
+CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361051
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCCCC1)c1ccccc1CC2,CHEMBL3764168
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2cccc3ccccc23)cc1,CHEMBL247926
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(=O)O,CHEMBL248112
+CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1,CHEMBL3092205
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)cc3)[C@H]3C[C@@H](F)C3)c2F)[C@H](O)C1,bindingdb_988648
+O=C(O)c1cc(F)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1018807
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCCS4(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018004
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2cncn2)C(C)(C)CCC1,CHEMBL388283
+CCC(Cc1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094470
+CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,CHEMBL1201391
+N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1,CHEMBL1513785
+Cc1ccc(C(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc1,CHEMBL3613407
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cnc2Cl)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654916
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(-c2c(O)c(=O)c2=O)cc1,CHEMBL254742
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1OCCOCCOCCCc1ccc(O)c(C(N)=O)c1,CHEMBL2113032
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4nccs4)ccc23)cc1,bindingdb_654995
+CC(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cn2)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_400932
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(CC2=CCOCC2)cc1F,bindingdb_649436
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648450
+O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1,CHEMBL1603599
+NCCOc1ccc(/C(=C/c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3422034
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cc1ccc(=O)[nH]n1,bindingdb_653181
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\OC,CHEMBL401092
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C[C@@H]1CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2,CHEMBL4067794
+CC(C)(O)c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)cc1,bindingdb_107864
+CCS(=O)(=O)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL1910420
+c1c2c(cc3sc(N4CCCCC4)nc13)OCCO2,bindingdb_584034
+Cc1ccccc1CN(c1ccc(C#N)c(Cl)c1)[C@H]1CC(=O)N(C(C)C)C1,CHEMBL551541
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(C)(C)O)cc3)nc2Oc2c(F)cccc21,bindingdb_1054273
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1,CHEMBL3917666
+Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2(O)c1ccccc1,CHEMBL1209233
+COc1cnc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403339
+COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc(CNC(=O)[C@H](C)N)c1,CHEMBL516241
+CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc3ccccc3c2)CCC1=O,CHEMBL438256
+C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12,DB00959
+CCOC(=O)C(C)(C)NC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccc(F)cc2)C1,bindingdb_648837
+CCOC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL148300
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C)c1,CHEMBL4177307
+COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1,CHEMBL362919
+C[C@](O)(COc1ccc(F)cc1Br)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238289
+CCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1,bindingdb_958503
+Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(S(C)(=O)=O)CC3)c1Cl)n2C,bindingdb_206555
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL409348
+COCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760409
+CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL2178795
+CCCCC(Sc1nc(OCCC2CCCC2)cc(OCCC2CCCC2)n1)C(=O)O,CHEMBL1172000
+C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)CCO1,CHEMBL4081522
+NS(=O)(=O)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)cc1,bindingdb_402012
+CCCCC12CCC(=O)C(C3CC3)=C1c1ccc3[nH]ncc3c1C2,CHEMBL379543
+O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc2scnc2c1,CHEMBL4066889
+O=C(N[C@@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_649508
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL364748
+Cc1ccc(NC(=O)CCc2nnc(-c3cc(CC(C)C)on3)n2C2CC2)c(C)c1,CHEMBL3775227
+Cc1cc(Cl)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1,CHEMBL3699372
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_647010
+CN(C)c1ncc(C2=C(Cl)C(=O)C(N3CCCC3)=C(Cl)C2=O)s1,bindingdb_112231
+Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12,bindingdb_584303
+O=c1cc(O)[nH]c2c1sc1nc(C(F)(F)F)c3c(c12)CCCCC3,bindingdb_89257
+Cc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2F)cn1,bindingdb_539812
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2c(C(=O)c3ccccc3)cccc12,CHEMBL454508
+COC1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_646366
+CC1CCc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N1C(=O)c1c(F)cccc1Cl,CHEMBL3596610
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1C(F)(F)F,CHEMBL1306166
+Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1,bindingdb_1004898
+CCCCCCCC/C=C\CCCCCCCC(=O)O,CHEMBL8659
+CCN(Cc1ccc(C(F)(F)F)cn1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988966
+O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1,CHEMBL1595731
+Cc1ccccc1Sc1ccc(C#N)cc1Cl,CHEMBL490956
+CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cn2)CC1,bindingdb_654809
+CCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL271220
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183871
+O=C(O)CCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1,CHEMBL3263244
+CC(C)c1ccc(-n2cc(C(=O)c3ccccc3F)nn2)cc1,CHEMBL2381474
+CCOC(=O)c1cc2cc(OC)ccc2[nH]1,bindingdb_982743
+C=CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL8329
+COc1ccc(-c2cc(NC=O)c3ncc(-c4ccc(OC)c(OC)c4)n3c2)c(OC)c1,bindingdb_55553
+CCC(=O)Oc1cc2c(c(OC(=O)CC)c1)C(=O)O[C@H](C)CCCCCCC2,CHEMBL1669763
+Cc1ccnc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1,bindingdb_55635
+CC[C@]12CC[C@H]3[C@@H]([C@H](C)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,CHEMBL3692353
+CC(C)OC(Cc1ccc(OCCc2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)O,CHEMBL80791
+C#C[C@]1(O)CCC2C3CC[C@H]4Cc5nc(S(C)(=O)=O)ncc5C[C@]4(C)C3CC[C@@]21C,CHEMBL45268
+C[C@@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL511445
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB01260
+Cc1cccc(Cl)c1Cn1nc(-c2cc(O)c(C(=O)O)cc2F)c2c(F)cccc21,bindingdb_652447
+O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,DB01068
+Cc1ccc(C2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2ccncc2)cc1,bindingdb_950135
+COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1,CHEMBL1645396
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OCC)cc2)C1=O,CHEMBL3590271
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(N)nc(-c4ccccc4)c3CC[C@H]12,bindingdb_653084
+CC(C)=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21,CHEMBL1644757
+CN1CCN(CCOc2ccc(-n3c4c(c5ccc(O)cc5c3=O)C(=O)c3cc(O)ccc3-4)cc2)CC1,CHEMBL3828208
+Oc1cccc2c1[C@@H](c1ccc(OCCN3CC(CF)C3)cc1)[C@@H](c1ccccc1)CC2,bindingdb_961205
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(S(=O)CC3CCOCC3)c(C(=O)OC)c2)cc1,bindingdb_55051
+O=C(O)C(Cc1ccccc1)Oc1ccccc1F,CHEMBL1956359
+CC[C@@H]1C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c21,CHEMBL3962413
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4ccncc4)ccc3[nH]2)C1=O,CHEMBL3578288
+O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,DB04824
+COC(=O)c1cccc(-c2noc(C34CCC(C=Cc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1017647
+CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)c3c2CCC3)ccc1O,CHEMBL2035879
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403273
+C=CCC1(C)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL25463
+CCCCC1CCC(c2nc(-c3ccccn3)no2)CC1,bindingdb_1005012
+CCN(CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)c1cccc(C)c1,bindingdb_108518
+CN1CCN(C(=O)/C=C/c2ccc(C3=C(c4ccc(O)cc4)CCOc4cc(F)ccc43)cc2)CC1,CHEMBL4225680
+CC1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2349058
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,CHEMBL597
+N#Cc1ccc(N2C(=O)OC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl,bindingdb_29782
+CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1,bindingdb_1004909
+CCO[C@@H](Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1)C(=O)O,CHEMBL87307
+Cc1cc(CO)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3792422
+CN1CCN(C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646905
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(Cl)c(C(C)(C)C)n1,bindingdb_1130961
+Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(=O)O)cc1,CHEMBL4226259
+CO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccsc12)C(=O)O,CHEMBL484137
+Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1,bindingdb_1026171
+C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1,bindingdb_475875
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1F,bindingdb_1184356
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C(=O)O)cc1,CHEMBL3398453
+O=C(Cc1ccncc1)N1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2cccc(Br)c2)C1,bindingdb_653992
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)ccc1O,CHEMBL39174
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1164248
+CCCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C,bindingdb_1004919
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OCC(C)(C)C)ccc2O1,bindingdb_645446
+Cc1nn(Cc2ccncc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168470
+COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4161175
+COc1ccccc1/C=C/c1ccccc1N1C(=O)c2ccccc2C1=O,CHEMBL3623105
+Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)COC3=O)cc1C,CHEMBL1340020
+CNc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc12,CHEMBL4082428
+CC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCC[C@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1630757
+CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,CHEMBL1440
+Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1,CHEMBL1431571
+CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL422904
+CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL1463954
+Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O,DB06521
+C[C@@H](O)Cn1cc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_646457
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1,CHEMBL112725
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)C(F)(F)F,bindingdb_647962
+O=C(N1CCC2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_654771
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1,bindingdb_1183407
+CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN([C@H]1CCOC1)C2=O,bindingdb_1127479
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cncnc3)c2)c(Cl)c1,CHEMBL237936
+CC(C)c1ccc(Cn2cc(-c3ccc(O)c(O)c3)nn2)cc1,CHEMBL3585698
+N#CC1(F)CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645300
+Oc1ccc2c(c1)SCCC(c1ccc(OC(F)(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402495
+CCc1cc(Oc2c(C)cc(NC(=O)CC(=O)O)c3c2CCC3)ccc1O,CHEMBL2312277
+COc1cc(S(=O)(=O)N2C[C@H](CC(C)(CO)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_645317
+CC(C)C(=O)NCc1ccc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,bindingdb_18624
+CC(C(=O)N(C)C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL539459
+O=S(=O)(c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1)C(F)(F)F,bindingdb_403839
+C[C@H](NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401861
+NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1,CHEMBL2158163
+COC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12,CHEMBL1339542
+CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271145
+N#CC1(NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_646727
+CN(C)C(=O)C1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,bindingdb_651743
+CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21,CHEMBL3764651
+CC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1,bindingdb_647388
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(CS(C)(=O)=O)c2)c1,CHEMBL604797
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccc(Cl)cc3)C2)c1,bindingdb_672663
+COc1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C5CC5)c4)ccc32)cc1O[C@@H](C)C(=O)O,CHEMBL3678157
+CCCS(=O)(=O)Nc1ccc(C)c(Nc2ccccc2-c2ncnc3[nH]cnc23)c1,bindingdb_257858
+CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1,bindingdb_649769
+CCS(=O)(=O)c1ccc(C(NC(C)=O)C(=O)Nc2cc(-c3cccnc3OCc3ccc(OC(F)(F)F)cc3)cs2)cc1,CHEMBL4176887
+Oc1ccc2c3c(cnc2c1)-c1ccc(F)cc1OC3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050147
+CN1CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)CC12COC2,bindingdb_647103
+Fc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(F)cc2)cc1,bindingdb_757580
+CN1CCN(C(=O)C2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)CC1,CHEMBL2346688
+Nc1ccccc1C(=O)c1cn(-c2cccc(Oc3ccccc3)c2)nn1,CHEMBL2381360
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)Nc2ccccc2F)C3)CC1,bindingdb_650788
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2ccn(CC(F)(F)F)n2)cc1,bindingdb_123877
+Oc1cccc(C2=Cc3cc(O)ccc3C23Cc2ccccc2C3)c1,CHEMBL24950
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC(C)(C)C)cc1OC(F)F,bindingdb_1182762
+Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12,CHEMBL3678129
+Cc1cc(SC(CC2CC2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035057
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3797861
+C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1,CHEMBL3391890
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3F)cc12,CHEMBL3699425
+CSc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL496464
+CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL233003
+CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(=O)O,CHEMBL234859
+Cc1nnc(NC(=O)[C@H]2C[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)s1,bindingdb_654253
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2348894
+CS(=O)(=O)c1cccc(N2CCN(CC3CCN(CC(F)(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_1004466
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NOCc1cccc(C(F)(F)F)c1)O2,bindingdb_651227
+Cc1ccc2cc(OCCCN3C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)ccc2n1,bindingdb_511709
+COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_401204
+O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594625
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(-c3ccccc3)cc2)c1)C(=O)O,CHEMBL119791
+Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1,CHEMBL1566266
+CSc1ccccc1NC(=O)c1noc2c1CCC2,CHEMBL1578546
+CC(C)(C)c1ccc(Nc2ccccc2C(=O)O)cc1,bindingdb_964742
+c1ccc(-c2nc(C3CCCCC3)no2)cc1,CHEMBL1301421
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCC2)cn1,CHEMBL263466
+C[C@H]1CCCN1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL183344
+O=S(=O)(c1ccc(F)cc1)N1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC[C@H]1Cc1ccnn1CC(O)CO,bindingdb_645132
+O=C1COC(c2ccccc2)(c2ccccc2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1,CHEMBL527871
+CN(C)CCOc1ccc(/C(=C(/CCC(F)F)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3991341
+N#Cc1ccc(F)c(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL28102
+Cc1nn(Cc2nnc[nH]2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168442
+COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC,bindingdb_846277
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3Cl)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407638
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657173
+CC(C)(O)c1cc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)ccc1C(F)(F)F,bindingdb_1143343
+COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)c1,CHEMBL4072756
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3ccc(Cl)cc3C(F)(F)F)cc12,CHEMBL3695888
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018360
+CCC(C)(O)c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCN(C(C)=O)CC3)C2)cc1,bindingdb_650650
+C[C@H](CCOc1cccc(C(C)(C)C(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1,CHEMBL584568
+CC(C)c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1ccc2ccccc2c1,bindingdb_846233
+CC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965574
+Cc1ncc(C(=O)N2CCC(C3COC3)CC2)c(C)c1C(=O)c1cc2c(C)cc(C#N)cc2n1C,bindingdb_649150
+Cc1ncsc1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127372
+CCCCCc1nnc(NC(=O)C2=COCCO2)s1,bindingdb_1000357
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)cc3C)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1080168
+Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL1086314
+O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21,bindingdb_760157
+CCOC(=O)C(C)(C)Oc1ccc(C(=O)C2Cc3ccccc3OC2=O)cc1,CHEMBL4203625
+N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1,CHEMBL4066645
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4c(C)cccc43)c2)c(C(=O)O)c1,CHEMBL495904
+Cc1ccc(=O)[nH]c1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127352
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3)c2)c(Cl)c1,CHEMBL235788
+C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cnc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_401311
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C3CC3)c2=O)nc1,bindingdb_647725
+CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL398677
+CC(Oc1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)cc1)C(=O)O,CHEMBL260627
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](C[C@@](C)(O)C(=O)O)O2)C(F)(F)F,bindingdb_645175
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ccc2F)N1CC(F)(F)F,bindingdb_402104
+O=C1C=C/C(=C2/Nc3ccc4ccccc4c3C3=C2CCC3)C=C1O,bindingdb_109171
+Cc1c(O)ccc2c(-c3c(Cl)cc(NC(=O)O)cc3Cl)cccc12,CHEMBL193615
+COc1ccc(CCc2ccccc2N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1OC,CHEMBL574298
+CCC(Oc1ccc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C)C(=O)O,CHEMBL1630381
+COc1ncc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cn1,CHEMBL1079984
+CC(=O)OC1C(=O)OCC23CCC4(C)OC4C2OC2CC(OC(=O)C=CC=CC(=O)OCCC1C)C3(C)C21CO1,bindingdb_539819
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6nc(C(C)C)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1018238
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ncco4)ccc23)c(F)c1,bindingdb_655072
+C[C@H](O)Cn1cc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_646183
+CCN(Cc1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1)Cc1ccccn1,CHEMBL3622364
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O,CHEMBL209546
+CCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1084632
+N#Cc1c(N/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)sc2c1CCCC2,CHEMBL1556956
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CCC1,CHEMBL3233275
+Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)O,CHEMBL213315
+COc1cccc(-c2n[nH]c3c2C(c2ccoc2)C(C#N)C(=N)O3)c1,bindingdb_831374
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cc3ccccc3o2)cc1,CHEMBL1079618
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1,bindingdb_648171
+O=C(CN1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_645250
+CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2C)CC1,bindingdb_653473
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCCC2,bindingdb_645524
+CCCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596630
+Cc1cc(OC/C=C\C(C#Cc2ccc(Cl)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL234904
+Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(C(F)(F)F)cc1,CHEMBL250506
+C[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,CHEMBL3695613
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)F)s1,bindingdb_645308
+COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1,bindingdb_584258
+CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1,CHEMBL1916247
+CCCOC(=O)c1cc(O)c(O)c(O)c1,DB12450
+c1coc(C2Nc3cccc4cccc(c34)N2)c1,CHEMBL1450165
+CC(C)(C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_647705
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NC3CCS(=O)(=O)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55017
+Cc1ccc(C(=O)N[C@H]2CC[C@H](Oc3ccnc4c(Br)cccc34)CC2)cc1F,bindingdb_475827
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C)cc(F)c2O1,bindingdb_647976
+Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)CC(=O)N2)c(C)c1,CHEMBL1480843
+COc1cc(C#N)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL375747
+O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1cccs1)c1cccnc1,bindingdb_950130
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)C1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934469
+COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1,bindingdb_1026217
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_649411
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2C[C@@](C)(O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183834
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3C3CC3)c3c(F)cccc32)cc1,bindingdb_206428
+CCOC(Cc1cccc2c1ccn2CCCc1nc(-c2ccccc2)oc1C)C(=O)O,CHEMBL213487
+N#Cc1ccc(N2C(=O)C3C(O)CCN3C2=O)c2ccccc12,CHEMBL218914
+COc1cc(OC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)F,bindingdb_401517
+COc1ccc(C(=O)Nc2cccc(OC)c2)cc1,bindingdb_69235
+Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,CHEMBL189077
+Cc1ccc(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccs2)c(C)c1,CHEMBL1085062
+COc1nc(OC)c2c(n1)[C@]1(C)C=C(C#N)C(=O)[C@H](C)[C@H]1CC2,bindingdb_651019
+O=C(O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S,CHEMBL1322564
+COC(=O)c1cccc(OCc2nc3ccc(Oc4ccccc4)nc3n2C)c1,CHEMBL4301846
+CONC(=O)c1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)ccc1F,bindingdb_403977
+CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1nc2c(s1)CCCC2)C(C)C,bindingdb_672604
+Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL207449
+O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1018804
+O=C(Nc1ccc(Cl)cn1)c1ccc2nccnc2c1,bindingdb_69253
+CC(C)(O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)CC2C(C)(C)C)nc1C(F)(F)F,bindingdb_1143458
+CC(C)(C)OC(=O)n1c(-c2ccc(CCC#N)cc2)cc2ccccc21,CHEMBL397564
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(Cl)cccc3Cl)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_649086
+C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccncc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649344
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO,bindingdb_403278
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ncco5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018786
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1,bindingdb_475754
+CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2,CHEMBL1585431
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403615
+CSc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)cc1,CHEMBL3911831
+CCCc1cc(OCc2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1079826
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(O)C1CCOCC1,bindingdb_647177
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](Cn2ccnn2)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_646608
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(Cc3ccc(F)cc3)C2)cn1,CHEMBL257079
+CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O,bindingdb_972743
+C=CCC(c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)O)cc1C,CHEMBL97613
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,CHEMBL564464
+CCOc1ccc(-n2c(-c3ccccc3)c[n+]3c2CCCCC3)cc1,bindingdb_539962
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3=O)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL3666820
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(F)cc2)c1)C(=O)O,CHEMBL490832
+COc1ccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1C(=O)O,bindingdb_1018517
+COc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@@H](C)C(C)(C)C)CC4)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_645700
+O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL4094877
+O=P1(NCCCl)OCCCN1CCCl,DB01181
+CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(C(O)c3ccc(F)cc3)c2)c(C)c1,CHEMBL159682
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2cnc(C(F)(F)F)cc21,bindingdb_647252
+CN(C)S(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL243571
+O=C(C1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)Cc3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_653243
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1,bindingdb_1182769
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)cc2C(F)(F)F)s1,bindingdb_1182941
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-],CHEMBL2348896
+CC(C)NC(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623121
+O=CN1Cc2cc(S(=O)(=O)C3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_647085
+C=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL268239
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401617
+Cc1nn(C2CCS(=O)(=O)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168508
+[C-]#[N+]c1ccc(N2C(=O)C3(CCCC3)N(c3ccc([N+](=O)[O-])cc3)C2=S)cc1C(F)(F)F,bindingdb_475610
+Cc1c(C(=O)NCC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3126378
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccn12,CHEMBL3598152
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(C(=O)O)c2)C(=O)O)cc1,CHEMBL145938
+COc1cc(-c2cccc(N(CC34CCC(c5nnc(C)s5)(CC3)CC4)C(=O)C3CCCC3)c2)ccn1,bindingdb_1018744
+CCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1,CHEMBL1583687
+COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)NS(C)(=O)=O,CHEMBL3263767
+O=C([C@H](O)C(F)(F)F)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651567
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2,CHEMBL3736000
+O=c1c2ccc(O)cc2c(Br)cn1-c1ccc(O)cc1,bindingdb_1157620
+CCOc1ccc(C2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)cc1,bindingdb_988818
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)CC1(C)c1ccccc1,bindingdb_999812
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,CHEMBL193482
+CC1(C)COC(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830768
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CSC3)c(S(C)(=N)=O)c2)cc1,bindingdb_206593
+CC(C)(C)OC(=O)N1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2CC1,bindingdb_647223
+S=c1[nH]nc(-c2cc(-c3ccco3)[nH]n2)n1-c1ccccc1Cl,bindingdb_831426
+CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21,bindingdb_69269
+C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)COCCCCCC[N+]12CC[N+]34CC[N+]56CC[N+]7(CC1)CC(=O)O[Gd-4]2375(OC(=O)C4)OC(=O)C6,bindingdb_430675
+CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21,CHEMBL200908
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC1CCOCC1,bindingdb_55054
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)Cc2ccccc2C1,bindingdb_654055
+O=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc21,bindingdb_108504
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(O)c(C)c3)C[C@@]21C,CHEMBL426386
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CC1(F)F,bindingdb_653904
+O=C(O)Cc1csc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)ccc12,CHEMBL233978
+CN1CCOc2ccc(S(=O)(=O)n3c(CCCC(=O)O)cc4cc(Cl)ccc43)cc21,CHEMBL4083589
+CC1(c2nc(C34CCC(CN(C(=O)C56CC(F)(C5)C6)c5cccc(-c6nc(C7CC7)no6)c5)(CC3)CC4)no2)COC1,bindingdb_1018306
+CC(/C=C/c1ccccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)F)=C\C(=O)O,CHEMBL130230
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2Cc2ccc(C(=O)O)cc2)c1,CHEMBL560147
+CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1,CHEMBL3983391
+Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C,CHEMBL4207143
+Nc1nnc(CC(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1,bindingdb_645613
+CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccc1,CHEMBL1503060
+O=C(O)c1cc(F)c(-c2nn(Cc3c(F)cccc3C(F)(F)F)c3cccc(F)c23)cc1O,bindingdb_652951
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccn3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168498
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4163242
+CSc1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1,CHEMBL3695795
+COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1OC,CHEMBL247600
+C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(CCCCCCCC)C1=O,bindingdb_999556
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988962
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_648831
+CCOC(=O)C1C(Cn2cnc3ccccc32)=NC(=O)NC1c1cc(C)ccc1C,bindingdb_760613
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c3ccccc23)CC1,bindingdb_650133
+COc1ccc2[nH]c3nc(SCc4nnc(-c5ccc(C)cc5)o4)nnc3c2c1,CHEMBL1324290
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(Br)c1,CHEMBL551791
+O=C(c1ccc(CS(=O)c2ccccc2Cl)o1)N1CCN(C2CCCCC2)CC1,bindingdb_69317
+CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1c(F)cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)c1C(C)C,bindingdb_206205
+C[C@@]12C=C(C(=O)O)C[C@H]1[C@@H]1CCc3cc(O)c(C45CC6CC(CC(C6)C4)C5)cc3[C@H]1CC2,CHEMBL4226196
+COc1ccc2c(c1)cc(-c1ccc3c(c1)CC(NS(=O)(=O)c1ccccc1)C3)n2C(=O)OC(C)(C)C,bindingdb_1000147
+CCCCN(Cc1cccc(O)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL492844
+CC(C)(C)CC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_107860
+COc1ccc(-c2nc(C(N)=O)c3nc(O)n(-c4cccc(Cl)c4)c3n2)cc1OC,CHEMBL1429150
+CCCCCCNC(=O)c1ccc(C(=O)CCN(C)C)cc1,CHEMBL561648
+O=C(O)c1cccc2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1017831
+CC([C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1)C(F)(F)F,bindingdb_1130968
+Cc1ccc(S(=O)(=O)n2c(C(O)c3ccc(C(F)(F)F)cn3)cc3cc(Br)ccc32)cc1,bindingdb_270753
+O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCOCC1,CHEMBL450409
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CCCC1,CHEMBL3233276
+CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)NC)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_648437
+CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(S(=O)(=O)CC(C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL4227287
+Cn1ccc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc21,bindingdb_401618
+Oc1ccc2c(c1)SCC(c1ccc(CF)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403582
+O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)cc1,bindingdb_651585
+Cn1cc(C2CCN(C(=O)C3CCC3)CC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21,bindingdb_648230
+CC1(C)C/C(=N\O)c2ccc(-c3cccc(Cl)c3)cc21,CHEMBL574354
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc21,CHEMBL3315065
+CC(C)S(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1083709
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183036
+O=C1C=CC(=O)C(C(C=NCc2ccccc2)[N+](=O)[O-])=C1,bindingdb_972737
+Cn1cnc(-c2ccc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)c1,bindingdb_654849
+Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1,CHEMBL364900
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1184179
+C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_476162
+COc1ccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)cc1OC,CHEMBL592235
+C=CCOC(CC=C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228663
+Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@@H](C)C(=O)O)c1,CHEMBL452051
+CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,CHEMBL4095614
+CC12CCCCC1(O)[N+]([O-])=C1CCCCC1=[N+]2[O-],CHEMBL1411756
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2,CHEMBL1528906
+CCO[C@@H](Cc1ccc(OC/C=C(/C)C#Cc2ccccc2)cc1)C(=O)O,CHEMBL360552
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(=O)OC)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270943
+Oc1ccc2c(c1)CCCC(c1ccc3scnc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404052
+CS(=O)(=O)c1ccc(Cc2c(Cl)nc3ccc(C(O)(c4cccnc4)c4cccc(Cl)c4)cc3c2Cl)cc1,bindingdb_1184227
+COC1(C(=O)N2Cc3cc(S(=O)(=O)CC4CC4)ccc3C2C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1,bindingdb_650390
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccccc3)oc2C)ccc1F,CHEMBL3827940
+CCc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778733
+O=C(O)c1cccc([C@H]2C[C@](OCCO)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,CHEMBL3823467
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(S(C)(=O)=O)CC1,bindingdb_654259
+Cc1cc(OCc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075724
+CN(C)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL4166530
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNCCCCCCCCCCF)cc1)c1ccccc1,CHEMBL3586195
+OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3cccs3)c(Cl)c2c1,bindingdb_1183396
+Cc1cc(C(Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)no1,CHEMBL604491
+Cc1nc2ccc(-c3ccnc(N(CC45CCC(c6cc(C7CC7)nn6C)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1018488
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1184256
+CCS(=O)(=O)[C@@H](C)c1nnc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)[nH]1,bindingdb_651016
+O=c1cc(-c2ccccc2)oc2cccc(F)c12,CHEMBL2386394
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(c3ccccc3)C(F)(F)F)ccc2O1,bindingdb_647702
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCC2)c(C(F)F)c1Cl)C(F)(F)F,bindingdb_645353
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c2CCC3)c(F)c1,bindingdb_647220
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)c1,CHEMBL3398438
+CC1CS(=O)(=O)CCN1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651607
+Oc1ccc(C2=Cc3cc(O)ccc3C23Cc2ccccc2C3)cc1,CHEMBL281499
+CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,DB00394
+CC(C)c1c(-c2ccsc2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_649443
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1Cl,CHEMBL3581682
+O=C(N(CC12CCC(c3noc(C4(C(F)(F)F)CC4)n3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2,bindingdb_1019064
+O=C(Cc1cccs1)Nc1nncs1,CHEMBL1606722
+CCCCCCCN(C(=O)Nc1ccccc1C)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL251238
+CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-],CHEMBL2070232
+N#Cc1ccc(Sc2ccccc2F)cc1C(F)(F)F,CHEMBL507671
+Oc1ccc(C2Cc3ccc(O)cc3N(CC3CC3)C2)cc1,CHEMBL392029
+CCCCCCc1ccc(C(=O)/C=C\C(=O)O)cc1,CHEMBL237601
+CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,bindingdb_760557
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCCC3)c2)c1)c1ccc2c(c1)OCCO2,bindingdb_417393
+COc1ccccc1Oc1ccc(CN(Cc2cc(F)cc(F)c2)c2c(Br)cc(CC(=O)O)cc2Br)cc1,CHEMBL2087296
+O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1,bindingdb_584202
+CC1CN(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCO1,bindingdb_649227
+CC(=O)Nc1ccc(O[C@H](C)c2ccccc2)c(Cl)c1,CHEMBL4165075
+O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,DB01014
+CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800986
+CCO/N=C(\C)C(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL230305
+CCCCCCc1ccc(NC(=O)/C=C/c2ccccc2)cc1,CHEMBL235276
+CC(C)c1oc(-c2c(Cl)cccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778838
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1[N+](=O)[O-],CHEMBL558107
+Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccccc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL2022653
+CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@H](C)CCCCCCC2,CHEMBL1669762
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ccc(CO)c1Cl)n2C,bindingdb_649218
+CC(C)(C)c1cc(-c2sc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)cc(C2(C)CC2)c1,bindingdb_648374
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3F)c(F)c2)CC1,CHEMBL3581533
+CCc1c(-c2ccc(O)cc2Cl)c(=O)oc2cc(O)ccc12,CHEMBL4081898
+CCOc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C[C@@H](F)C(C)(C)O)C2=O,bindingdb_1127601
+Cc1ccc(/C=N/NC(=O)c2ccoc2C)s1,bindingdb_1000282
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184203
+COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)NC2CCCCC2)C2CCCCC2)c(OC)n1,bindingdb_846251
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(F)c3)[C@@H](c3ccccc3)C2)c1,bindingdb_1004661
+N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1,CHEMBL308938
+Cc1ccc(/C(=C(\CCCO)c2ccc3cnn(C)c3c2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3990572
+COc1ccc2sc(NC(=O)c3ccco3)nc2c1,bindingdb_69171
+NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988899
+Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1,CHEMBL311000
+O=C(CCCN1c2ccccc2N(Cc2ccc(C(O)C(F)(F)F)cc2)S1(=O)=O)N1CCCC1,CHEMBL3402141
+CC(C)C1Cc2ccccc2-c2nc(S)nc(O)c21,CHEMBL1329797
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cccc(NS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649875
+C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2c1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1,bindingdb_972732
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3cccc(Cl)c3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL245131
+CCn1ccc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,CHEMBL4209659
+COC[C@H](C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2CC1(C)C,CHEMBL3774944
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1F,CHEMBL462282
+Cc1cc(C(=O)O)ccc1OC[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,bindingdb_846310
+COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(C)cc4)oc3C)cc2oc1=O,CHEMBL456912
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_109221
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1(C)COC1,bindingdb_653128
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cc(Cl)sc1Cl,CHEMBL194077
+CC(N=Nc1ccc(F)cc1)c1ccc(Cl)s1,bindingdb_91303
+Cn1c(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc2ccccc21,CHEMBL551981
+Cc1ccccc1C#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL232847
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6nnc(C7CC7)o6)(CC4)CC5)C(=O)C4CC(C(F)F)C4)c3)cc2s1,bindingdb_1018299
+COc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C,CHEMBL395502
+C#CCC(CC#C)(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1,CHEMBL254542
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccc(Cl)c(F)c1,bindingdb_417790
+Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCSCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1083179
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccccc4C(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263566
+COC(c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1)C(F)(F)F,bindingdb_1130721
+COc1nc2ccccc2cc1C(O)CC#CCOCC(=O)[O-],bindingdb_1114884
+CCC12CCC(=O)C=C1c1ccc(O)cc1C2,CHEMBL212276
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCN1C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401362
+O=S(=O)(c1ccc(F)cc1)N1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC[C@H]1Cc1ccn(CC(O)CO)n1,bindingdb_645036
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nc(C(C)(C)O)co1,bindingdb_655068
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@]3(F)CC[C@@H](C(=O)O)CC3)C2)ccc1F,bindingdb_646724
+Oc1ccc2c(c1F)CCCC(c1ccc(Cl)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403161
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_400938
+O=C(Cc1cncnc1)N[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651355
+CC(=O)N1CCN(c2ccc(CN(C(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317840
+CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1,bindingdb_292558
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CHEMBL43064
+CCCC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL6855
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB02659
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(C)C,bindingdb_1183771
+O=C(O)c1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc2[nH]ncc12,bindingdb_1018334
+Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C#N)cc12,bindingdb_206338
+Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1,bindingdb_1750
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)C(F)(F)F)c2=O)nc1,bindingdb_646477
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(CO)cc1,CHEMBL389979
+COc1ccc(C(=O)n2c(C)c(Cc3cccc(OC(C)(C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL181554
+Oc1ccc(-c2ccc(O)cc2)cc1,bindingdb_831441
+CC(C)OC(=O)/C=C/c1ccc(Oc2c(-c3ccccc3C(C)C)sc3cc(O)ccc23)cc1,bindingdb_401391
+CCNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645662
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ncc1C(F)(F)F,bindingdb_1130977
+O=c1oc2cc(O)ccc2c(Nc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(F)cc1,CHEMBL4176748
+CC(C)C1CCC(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)CC1,bindingdb_108424
+CC(C)(N)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651384
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)c1ccccn1)O2,bindingdb_647796
+Cc1sc(-c2ccncc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL147090
+COc1ccc2c(c1)CCN(C(=O)CC(C)(C)CC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4210727
+CCOC(Cc1ccc2c(c1)c(C)cn2Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(=O)O,CHEMBL384203
+CCCCCCNCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C,CHEMBL4163000
+Cc1ccc2oc(=O)cc(CN3CCCCC3)c2c1,bindingdb_89237
+CC(C)(Cc1ccc(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2CCCC#N)c(OC(F)F)c1)C(F)(F)F,bindingdb_1184095
+CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,CHEMBL1532996
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)CC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017961
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccnc3)c(Cl)c12,bindingdb_417403
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21,CHEMBL206278
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(F)F)cc4CCC23)CC1,bindingdb_648664
+CC(C)C(N)c1csc(Nc2nncc3ccccc23)n1,bindingdb_999546
+C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL124549
+CC(C)(C)COC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_1000024
+COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C,CHEMBL1350947
+COc1ccc(-c2oc3ncn4nc(Cc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1,bindingdb_953831
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCCCO1,bindingdb_646404
+Cc1nnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)s1,bindingdb_91228
+CC(O)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650040
+CCCc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O,CHEMBL486365
+CCCC(=O)c1ccc(OC(COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)O)c(C)c2)cc1,CHEMBL231527
+COc1cc(C#N)ccc1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCN(C(C)=O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650178
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C(C)C)CC3)c1Cl)n2C,bindingdb_206340
+Cc1cc(O)ccc1C(=O)NCCc1ccc(C(C)(C)C)cc1,CHEMBL4206963
+Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL3657166
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1cncc(C(F)(F)F)n1,bindingdb_1130776
+CN1C(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCS1(=O)=O,bindingdb_654993
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5ccnc5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263833
+O=c1[nH]ncn1-c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_403266
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cccc2)cc1,CHEMBL478334
+CC(=O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C,bindingdb_55579
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL81
+CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1,CHEMBL234858
+COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(N)=O,CHEMBL3263760
+CCO[C@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL234820
+Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1C,bindingdb_100380
+Cc1ccccc1N1CCN(S(=O)(=O)CSCc2c(C)noc2C)CC1,bindingdb_475684
+O=C(O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1,bindingdb_476010
+C=C(C)C(=O)c1ccc(CCCCCCC)cc1,bindingdb_481714
+N#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2,CHEMBL402492
+CCOc1ccc(NC2=NC(=O)S/C2=C\c2ccc(OC)cc2)cc1,CHEMBL1429596
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc([N+](=O)[O-])cc1,CHEMBL1835809
+O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc(O)c(O)c1,bindingdb_831453
+NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,CHEMBL3918276
+N#Cc1c(NC(=O)c2ccccc2Cl)n(Cc2ccccc2)c2nc3ccccc3nc12,bindingdb_112179
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1,CHEMBL1163620
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5c4CCC5)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_648481
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2CCC(C)CC2)c2ccccc12,bindingdb_650701
+O=C(O)c1ncc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018436
+C/C(=C\c1ccc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL91718
+CC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1,CHEMBL230259
+O=C(c1ccccc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1Cl,CHEMBL1091958
+CC[C@@H](Cn1ccc2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl,CHEMBL3093461
+COc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)cc2)cc1,CHEMBL4237449
+CC(C)CN(Cc1ccc(-c2ccc(C#N)nc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263705
+COc1ccccc1-c1ccc2c(c1)C(C(C)OC/C=C/c1ccccc1)=CC(C)(C)N2,CHEMBL394344
+O=C1CC(/C=C/c2ccco2)=Nc2ccccc2N1,CHEMBL1340515
+O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3[nH]2)cc1)c1cccs1,CHEMBL600336
+COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccccc2)cc1,bindingdb_1026123
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OC[C@H](C)N3CCCC3)cc2)c2ccc(O)cc12,CHEMBL372808
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263754
+NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_402010
+COc1ccc(-c2nc(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(=O)O)cc3)c(C)o2)cc1,CHEMBL356382
+CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3C)cc21,CHEMBL131855
+c1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1,bindingdb_584389
+C[C@@H](OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2)C(C)(C)C,bindingdb_645601
+CC(/C=C/c1ccccc1-c1cc(C(C)C)cc(C(C)C)c1OCCCF)=C\C(=O)O,CHEMBL445634
+CC(=O)N1CCN(c2ccc(CN3C(C)CCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1,bindingdb_645796
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC[C@H]2CO)C3)CC1,bindingdb_645752
+CS(=O)(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_645471
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)cc(OCCNCCCF)c2)N1CC(F)(F)F,bindingdb_402907
+CC[C@]12CC[C@H]3[C@@H]([C@H](C)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,CHEMBL3695604
+Cc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)O,CHEMBL208755
+Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12,CHEMBL4117827
+Cc1ccc(-c2nsc(CSc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1Cl,CHEMBL409355
+C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cnc(OCCN(C)CCCF)c2F)N1CC(F)(F)CO,bindingdb_401011
+CC(C)[C@H]1c2ncc(C(=O)NCCC3CCS(=O)(=O)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123926
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017747
+Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C)CC3)cc2)cc1,bindingdb_692074
+Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2cccs2)cc1,CHEMBL2037310
+COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CNC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126837
+CC(=O)NC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647067
+CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c1,bindingdb_1026153
+COc1cccc(F)c1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL469983
+CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672547
+Cc1cc(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682418
+CCS(=O)(=O)c1ccc([C@@H](COC(N)=O)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270640
+CC(C)(C)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_646674
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)C(F)(F)C(F)(F)F)cc1OC(F)F,bindingdb_1182799
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)c(F)c3CCC2)c(F)n1,bindingdb_403544
+CCCc1c(OCCCCc2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12,CHEMBL210454
+O=C1CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL310180
+COc1ccc2sc3c(=O)[nH]c4ccccc4c3c2c1,bindingdb_1026197
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019038
+CCOCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21,CHEMBL3764414
+Oc1ccc2c(c1)CCCC(c1ccc3sncc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401077
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640820
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1,CHEMBL182610
+C[C@]12CC[C@H](c3ccc(O)cc3)C[C@H]1C[C@H](O)[C@H]2O,CHEMBL3134124
+O=C([C@H]1CC[C@H](c2nnn[nH]2)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3977998
+COc1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)oc3=O)o2)cc1,CHEMBL1574512
+CCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3904906
+COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCC(=O)O)cc1,CHEMBL4225599
+O=C(Nc1nc2ccccc2s1)c1ccccc1,bindingdb_999741
+C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F,CHEMBL56509
+CC(C)(C)NC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647239
+COc1cc(N[C@H](C)C(F)(F)F)ccc1-c1c(Cl)c(C(=O)NC[C@H]2CC[C@H](C)CC2)nn1CCC#N,bindingdb_1183706
+C=Cc1c(Br)c(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL182751
+Cc1ccccc1N1CCN(C(=O)CSCc2ccccc2)CC1,bindingdb_475767
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cn1)c1ccccc1,CHEMBL1821835
+CCCCCOc1ccccc1C(O)C/C=C\CCCC(=O)O,CHEMBL2219568
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]nnc2c1)c1ccccc1,CHEMBL3581640
+CCN(C[C@H]1CC[C@H](C(F)(F)F)CC1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_650645
+O=C(O)c1cc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(OCCN2CCCC2)n1,bindingdb_1018881
+COc1cccc2c1-c1ccc3c(c1C(C1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3,CHEMBL48588
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1183027
+Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12,CHEMBL1465370
+C[C@@H](C(=O)Nc1nc(-c2ccccn2)cs1)N1C(=O)C2CCCCC2C1=O,CHEMBL1416591
+Fc1ccc(CN2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1,CHEMBL2346972
+COc1ccc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1C(=O)NS(C)(=O)=O,bindingdb_1018462
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c2ccccc12,CHEMBL3640832
+CCCCCOc1nc2ccccc2cc1C(O)CC#CCOCC(=O)[O-],bindingdb_1114876
+CCc1cc(O)cc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL383518
+Cc1onc(-c2c(Cl)cc(F)cc2Cl)c1COc1ccc(C2(O)CN(c3ncc(C(=O)O)cc3F)C2)c(Cl)c1,bindingdb_1018443
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(C(=O)OC)cn1,bindingdb_653328
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn(CC(F)F)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648854
+O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12,bindingdb_982699
+CC1(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CCS(=O)(=O)CC1,bindingdb_653714
+CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C3(C)COC3)c2)cn1,bindingdb_1018920
+CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1,CHEMBL240868
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(OCC(F)(F)F)c(Cl)c2c1,bindingdb_646027
+CCc1sc(C(=O)N2CCc3ccccc32)cc1C,bindingdb_672501
+O=C(Cc1ccc(CC(C(=O)O)S(=O)(=O)CCc2ccc(F)cc2)cc1)OCc1ccc(C(F)(F)F)cc1,bindingdb_1003837
+CC1(C)[C@H]2CC[C@]1(c1cccc(-n3cnc(C(F)F)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653110
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2Br)ccc1O,CHEMBL236291
+Cc1oc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nc1CO,bindingdb_646384
+Cc1ccnc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)n1,bindingdb_1017446
+C=CCC1Oc2ccc(C(=O)OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7843
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)ccc1Cl,bindingdb_404183
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c(Cl)c1C,bindingdb_646569
+Cc1cccc2c(Oc3c(Cl)cccc3Cl)nn(-c3ccc(C(=O)O)cc3)c12,CHEMBL3922245
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1,CHEMBL2070457
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(C)(=O)=O)cc1F,bindingdb_1017873
+CCC(CC)(C(=O)O)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1,CHEMBL584567
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3COC)cc1,bindingdb_271109
+CCOC(=O)N1C[C@@H](CCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)[C@@H](C(=O)O)C1,CHEMBL3398458
+Oc1ccc(-c2ccc3c(O)cccc3c2)cc1,CHEMBL193726
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(F)C(F)F)cc4CCC23)CC1,bindingdb_646294
+CN1CCN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc21,CHEMBL4217418
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCC[C@H]1O,bindingdb_651766
+CCN1CC2N(C(=O)C3(O)CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_646047
+CC(/C=C/[C@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,CHEMBL208503
+COc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1,bindingdb_953905
+C=C(CCC)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765941
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccccc3Cl)n2)c1,CHEMBL1088097
+CCn1c(C#N)ccc1-c1ccc(O)cc1F,CHEMBL4060340
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCOCc1ccc(O)c(C(N)=O)c1,CHEMBL146794
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(NC(C)C)cc2)c(C)c1,CHEMBL1668072
+CCN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl,bindingdb_645051
+COc1cc(S(=O)(=O)N2C[C@H](CC(C)(C)c3n[nH]c(=O)o3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_648199
+Cc1ccc(C(=O)O)cc1-c1ccc(C=C2NC(=O)N(c3ccccc3)C2=O)o1,bindingdb_830816
+Cc1oncc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_403928
+Oc1ccc2c(c1)SCC(c1ccc(O)nc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401880
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)c1cn[nH]c1)O2)C(F)(F)F,bindingdb_649523
+COc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1,CHEMBL3589354
+COc1ccc(CNc2c(-c3cc(Cl)ccn3)nc3ccc(Cl)cn23)cc1,CHEMBL4077016
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1C(F)(F)F)C(=O)N2c1ccc(C(=O)O)c(O)c1,bindingdb_206443
+CN(C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348907
+CSc1nc(O)c(C#N)c(-c2ccccc2)n1,CHEMBL1520797
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccccc2)cc1,CHEMBL1079504
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@@H]2CCC[C@@H]2O)C3)CC1,bindingdb_646583
+Oc1ccc(-c2cn3c(n2)SCC3)cc1O,CHEMBL1613004
+CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,DB14002
+C[C@H]1C[C@H](C)OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL434183
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CCC(=O)O)c2)cc1,CHEMBL3335654
+O=C(c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL180176
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C1CCNCC1,CHEMBL4163054
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL578150
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2c(F)cccc2Cl)n1,CHEMBL3917300
+NS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_1143217
+COc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1,bindingdb_999906
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2348892
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(C(F)(F)F)c2)C1=O,CHEMBL2407674
+O=C(O)c1ccc(-c2nn(C(=O)C3CCCO3)c3ccccc23)c(F)c1,bindingdb_55043
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1cccc(F)c1)O2,bindingdb_648084
+Oc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1,CHEMBL372783
+Oc1ccc2c(c1)CCCC(c1ccc(C(F)(F)F)nc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402129
+Cc1c(Oc2cccc(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12,CHEMBL192646
+CCCO/N=C(/c1ccccc1)c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3397563
+Oc1ccc2c(c1)OCCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401053
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F,bindingdb_1183805
+Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2312714
+COC(=O)C1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CCC1=O,bindingdb_646650
+CC(C)(O)[C@H](F)CNC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)c(F)c1,bindingdb_646690
+CC(=C/C=C\C(C)=C\C(=O)O)/C=C1\CCCc2ccccc21,CHEMBL44979
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N2C[C@H](O)C[C@H](O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_646066
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184098
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1017956
+CCCC(CCC)(c1ccc(O)c(C)c1)c1c[nH]c2cccc(OCc3ccccc3)c12,CHEMBL4225566
+Cc1ccc(C)c2oc(-c3nnc(-c4ccc(C(=O)O)cc4Cl)o3)cc12,bindingdb_965495
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](C[C@H](C(=O)O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647280
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183960
+C[C@@H]1CCN(CCOc2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)C1,CHEMBL372337
+O=C(N[C@H]1CC[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)C1(O)CC1,bindingdb_652399
+O=C(O)c1cccc(-c2noc(C34CCC(C=Cc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1019093
+N[C@@H](CO)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4164640
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1)C(F)(F)F,CHEMBL391076
+O=C(O)c1ccc(N2C=C(C(=O)c3c(Cl)cccc3Cl)C3C=CC=C(F)C32)c(F)c1,bindingdb_648345
+COc1cc(F)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_401722
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43/C=C/F)C1CC[C@@H]2O,CHEMBL202400
+CC(C)c1cnn(-c2c(Cl)cccc2Cl)c1COc1ccc2c(n1)CCc1ccc(C(=O)O)cc1O2,bindingdb_1017683
+CCOC(=O)/C=C/c1ccc(Oc2c(-c3ccccc3C(C)C)sc3cc(O)ccc23)cc1,bindingdb_403896
+CC(NC(=O)[C@H](C)O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653197
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(Cl)cc4)sc3C)c2)cc1,CHEMBL1091664
+CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CC1,bindingdb_123977
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC[C@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4171332
+COc1ccc(C(=O)c2c(C)n(Cc3ccc(Cl)c(O[C@@H](C)C(=O)O)c3)c3nc(OC)ccc23)cc1,CHEMBL459466
+O[C@]1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)cc21,CHEMBL3682511
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CC(N)=O)O2,bindingdb_645746
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)c(Cl)c3)cc21,CHEMBL4300314
+Cc1nn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206637
+CC(=O)N1CCC(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_650763
+O=c1[nH]nc(Cc2c(F)cccc2F)c2ccccc12,CHEMBL3622588
+Cc1ccc(C(=O)CC(Nc2ccc(F)cc2)c2cccc(F)c2)cc1,CHEMBL1163588
+CCCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(O)c(C)c1,CHEMBL204434
+C#CCn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21,bindingdb_91266
+Cc1ccc(-n2nccc2-c2ccnc(NC(N)=O)c2)cc1,CHEMBL3643658
+Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1C,CHEMBL260839
+COc1ccc2c(c1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c(C(C)(C)C)c(F)c1,CHEMBL4093539
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)ccc(-c3cccc(OCc4ccc(C(Cc5ccc(-c6ccccc6)cc5)C(=O)O)cc4)c3)c2c1,CHEMBL254335
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(Br)c2)c1,CHEMBL4169720
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)O)cc1,CHEMBL514328
+O=C1Nc2ccccc2C12OCCS2,CHEMBL402580
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)c(F)c3)ccc21,bindingdb_1054247
+COc1cc(Cl)cc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C5CCCC5)C(C)(C)C4)cn3C)c2C)c1,bindingdb_646138
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c2Cl)cc2c(F)cc(C3CC3)cc21,bindingdb_206585
+CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(O)cc1,CHEMBL204664
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2NCCC3)c(F)c1,bindingdb_652750
+CC1(C)C2CCC1(C)[C@H](NC(=O)c1cc(Oc3c(Cl)cc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc1O)C2,CHEMBL237529
+COC1CN(C(=O)C2CCc3c(N4CCC(C(=O)OC(C)(C)C)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645744
+C[C@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL181404
+O=S(=O)(Nc1ccc2c(c1)ncn2-c1ccc2ccccc2c1)c1ccccc1Cl,CHEMBL457674
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(C)(C)C)ccc2O1,bindingdb_645107
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(F)CC1,bindingdb_55009
+O=C(O)c1cc(OC2CC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017414
+CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,CHEMBL52
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)Cc1ccccc1)C(=O)CO,bindingdb_963235
+Cc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2ccc(Cl)cc2)no1,bindingdb_953762
+CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3,bindingdb_982686
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](C(=O)N(C)C)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_649533
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(O[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184123
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC[C@H]2CF)C3)CC1,bindingdb_647124
+Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL518348
+CCc1nc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)(F)F)s1,bindingdb_647207
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C(F)F)c2)s1,bindingdb_1182906
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F,CHEMBL70381
+C[C@H](C#N)Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_654076
+CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1,bindingdb_953852
+C[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,CHEMBL180792
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCCN3CCCC3)ccc12,CHEMBL393982
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1ccncc1)O2,bindingdb_650873
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cccs1,CHEMBL196347
+N#Cc1ccc(-n2c(=O)n(Cc3ccccc3)c3cccnc32)cc1C(F)(F)F,CHEMBL2011371
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)O)c(C(F)(F)F)n1,CHEMBL3673688
+Cc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2S(=O)(=O)CC1,bindingdb_402755
+CCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114111
+CS(=O)(=O)c1cccc(N2CCN(CC3CCC(C(F)(F)F)O3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1143245
+CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1,CHEMBL4107048
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1,CHEMBL1076151
+CC[C@@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_1127571
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)NCCCNS(N)(=O)=O)c(F)c1,CHEMBL3974665
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Oc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417596
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3Cl)c(Cl)c2)cc1,CHEMBL3609391
+O/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O,CHEMBL509051
+CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n([C@@H](C)COC)c2n1,bindingdb_646541
+CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1,bindingdb_69080
+O=C(O)c1ccc(-n2ncc3c2CCC(c2ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C3)cc1,bindingdb_650367
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648513
+Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1,CHEMBL601757
+Cc1cc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)ccc1/C=C/C(=O)O,CHEMBL4103381
+Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12,CHEMBL3699420
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc5cc[nH]c5c4)cc3)ccc21,bindingdb_988977
+CC(O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130733
+CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1,3osi
+CC/C(=C(/c1ccc(O[C@H]2CCN(CCCF)C2)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl,bindingdb_403358
+Cn1nc(C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)oc1=O,bindingdb_648096
+O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccccn1,CHEMBL2441099
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H](CO)[C@H](O)c1ccccc1,bindingdb_645595
+CC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21,CHEMBL327551
+COc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1,bindingdb_760437
+CCC1(n2c(=O)c(NCc3ccc(S(=O)(=O)CC)cn3)nc3cnc(-c4c(C)ncnc4C4CC4)nc32)CC1,bindingdb_648500
+O=S1(=O)CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)CC1,CHEMBL244207
+O=C(O)c1ccccc1Nc1cccc(Cc2ccccc2)c1,bindingdb_964747
+Cc1cc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C)cc1CC(=O)O,CHEMBL403418
+CC(/C=C/[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,CHEMBL311113
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cn5)c4)(CC2)CC3)n1,bindingdb_1018296
+CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL522152
+CCC(=O)O[C@]1(C(=O)SCCOCCOCCP(=O)(O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,bindingdb_417316
+C#CCOC(=O)N1CCc2c(OCCc3nc(-c4ccccc4)oc3C)ccc(CCC(=O)O)c2C1,CHEMBL223434
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_653195
+Cc1cnc(-c2ccc(Cl)c(F)c2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002220
+CNC(=O)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_401025
+CC(C)CN(Cc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654562
+CC(C)C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(C)C)c23)CC1,CHEMBL4277448
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CCC2,bindingdb_1019103
+COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,CHEMBL24458
+COc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2312700
+CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1,CHEMBL272502
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(OCCNCCCF)c2Cl)N1CC(F)(F)F,bindingdb_402165
+CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219686
+N#CC1(c2ccc(C34CCC(CN(C(=O)C5CC(F)(F)C5)c5cccc(-c6nc(C7CC7)no6)c5)(CC3)CO4)cc2)CC1,bindingdb_1018090
+CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O,CHEMBL21706
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCc1ccccc1)O2,bindingdb_645694
+Fc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1,bindingdb_583977
+O=C(O)c1ccc(-c2nn(Cc3c(F)cccc3Cl)c3cccnc23)c(F)c1,bindingdb_650624
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)Cc1ccccc1)O2,bindingdb_647318
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc21,bindingdb_1054275
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2CC[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1182949
+COc1cccc(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccco2)c1,CHEMBL1084322
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)S(=O)C(C)(C)N3CC2CCOCC2)cc1,bindingdb_647451
+CN(C)CCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccccc2OCC3)cc1,CHEMBL1082529
+CC(C)CS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3963259
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2nccn2)cc1,CHEMBL593320
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C[C@@H](O)CC(=O)O)cc3)C[C@@]21C,CHEMBL361406
+COc1cccc(C2SC(c3ccc(Cl)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1,CHEMBL242841
+Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1Cl,bindingdb_961257
+CC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2)c(Cc2ccccc2Cl)n1,CHEMBL3960606
+COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC,bindingdb_112071
+Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C,CHEMBL1386676
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1,CHEMBL3233280
+Cc1cccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)c1,bindingdb_654854
+CC(C)(C)c1ccc(C2CC2C(=O)NN=Cc2ccc[nH]2)cc1,bindingdb_539930
+CCc1nnc2c3cnn(-c4ccccc4)c3ncn12,bindingdb_100106
+COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c(OC)nc2c1,bindingdb_1002140
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OCC(C)C)ccc2O1,bindingdb_646050
+Oc1ccc(-c2nc3cc(O)cc(-c4nccs4)c3o2)cc1,CHEMBL363902
+O=C(COc1ccc(Br)cc1)N1CCN(c2ncccn2)CC1,bindingdb_953903
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1,bindingdb_647294
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)co2)cc1,CHEMBL3609381
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc([C@](C)(O)CCC(F)(F)F)cc1OC(F)F,bindingdb_1183944
+O=C(Nc1ccccc1[N+](=O)[O-])C1=C(O)CCn2c1nc1ccccc12,CHEMBL1386091
+CCCCCOc1ncccc1C(O)C/C=C/CCCC(=O)OC,CHEMBL196139
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(n3cnnc3CO)CC2)cc1F,bindingdb_650114
+C[C@@](O)(CO)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_654630
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3CCCCC3)CC1)cn2C,CHEMBL4283530
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc3ccccc23)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL145958
+CCCCC(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1,CHEMBL247597
+CCN(C(=O)N(C)c1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL250037
+Cc1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)O)cc2)c(C)s1,CHEMBL218442
+O=C(O)C1CC2CCC(C1)N2C(=O)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651475
+COCC(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1,bindingdb_91232
+CCC(=O)c1nc2cc(C(=O)N[C@H](CC)c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1,CHEMBL1825115
+Cc1cccc(N2[C@H](C)CN(C(=O)CSCc3c(C)noc3C)C[C@@H]2C)c1,bindingdb_475814
+Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1,CHEMBL1257572
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2cccnc2)c(F)c1,bindingdb_18660
+CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)cc3)[C@H]2C)cn1,CHEMBL2337518
+CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c1,bindingdb_539999
+COc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OC,CHEMBL4087479
+Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)CC3c1c(F)cccc1Cl,CHEMBL568893
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1)C1CC1,bindingdb_1182901
+COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2,CHEMBL1400764
+c1coc(CNc2ncnc3ccccc23)c1,bindingdb_584317
+CC12CCC(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL404506
+CC1(C)[C@H]2CC[C@]1(c1cccc(Nc3cnn(C[C@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648910
+C[C@](O)(COc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1,CHEMBL123843
+Cc1ccc(S(=O)(=O)N2C[C@H]([C@H]3C[C@@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cc1,bindingdb_645143
+CC1CCN(C(=O)CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2348900
+Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1,CHEMBL1341814
+Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1,CHEMBL1452952
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1O,bindingdb_649207
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)s2)cc1,CHEMBL3609386
+C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1,bindingdb_1050085
+Oc1ccc2c(c1)SCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404164
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183856
+O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(CO)cc2)nc2ccccc21,bindingdb_846268
+Cc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1019130
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1C(=O)OCC(F)(F)F,bindingdb_1143413
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(N)=O)nc2CC2CCCCC2)c2ccccc12,CHEMBL4125896
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)c(F)c4)no3)nc12,bindingdb_965528
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3934548
+N=c1c(-c2nc3ccccc3[nH]2)cc(C(=O)c2cccs2)nn1-c1ccc(Cl)cc1,CHEMBL1398769
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(OC(C)C)cc3)c(Cl)c12,bindingdb_417390
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1183155
+CC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCC[C@@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1630763
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(C(F)(F)F)CC1)O2)C(F)(F)F,bindingdb_650318
+N#Cc1ccc2[nH]c3c(O)cccc3c2c1,CHEMBL1288957
+C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,CHEMBL87285
+CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1,bindingdb_112083
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)F)c(Cl)c2)cc1,CHEMBL3314017
+CCO[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)NO,bindingdb_949606
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1c[nH]nc1-n1cnnn1,bindingdb_652716
+Cc1cc(C)cc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL481514
+O=C(O)[C@H](Cc1ccc(C(F)(F)F)cc1)Oc1ccc(Cl)cc1,CHEMBL471011
+Cc1c(C#N)c(Cl)nc2c3c(sc12)NC(=O)CC3c1ccccc1Cl,CHEMBL570708
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5cnnn5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018724
+CCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1,bindingdb_34082
+CCc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_650747
+O=C(c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL180973
+Cc1ncccc1NC(=O)N1C[C@H](C)N(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C,CHEMBL199284
+CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC,CHEMBL373318
+Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2N=Cc1ccco1,bindingdb_830810
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCOCCO2)cc1,CHEMBL2282521
+CCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1,bindingdb_108514
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(NC2CN(CCCF)C2)cc1,bindingdb_961172
+CCN(CC)C(=O)c1nc(C(N)=O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_645996
+c1ccc([C@H]2CN3C(=N2)Sc2ccccc23)cc1,bindingdb_999686
+[C-]#[N+]c1ccc(N2C(=O)C(CCl)(CCl)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F,bindingdb_475729
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1,CHEMBL523651
+CC[C@H](C(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CHEMBL4078083
+CCCCCCCCCCCCCCCc1cccc(OC)c1C(=O)O,CHEMBL30915
+c1ccc([C@H]2COC[C@H]2c2ccccc2)cc1,CHEMBL193377
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(F)c3CCC2)ccc1Cl,bindingdb_403913
+Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OC(C)C(=O)O,CHEMBL1630386
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(F)cc1,CHEMBL184109
+CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760005
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NC3(C)CCC3)c3ccccc23)CC1,bindingdb_648945
+O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1,bindingdb_112229
+CC(O)(COC(=O)c1ccccc1Cl)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,CHEMBL375111
+O=C(CCl)NCCCN(C(=O)C(Cl)Cl)c1ccc([N+](=O)[O-])cc1,bindingdb_292533
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3cncc(Br)c3)cc12,CHEMBL3699418
+COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC,CHEMBL2385725
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(-c3cccnc3)s2)cc1,CHEMBL1382866
+O=C(NCC1CCOCC1)[C@H]1C[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653446
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3ccccc3C(F)(F)F)noc2C2CC2)c(F)c1,bindingdb_1017972
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(C)=O)c1O,CHEMBL23881
+CC(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)S(=O)(=O)c1ccc(C(F)(F)F)cn1,bindingdb_652255
+COc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1,CHEMBL1089743
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC1O,bindingdb_646200
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL258766
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2-c2cccnc2)c2ccccc12,bindingdb_654132
+O=C(O)c1cc(-c2ccco2)nc2ccccc12,CHEMBL150924
+CCC(C(=O)O)C1CCc2cc(OCCCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21,CHEMBL199846
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H](N1CCOC1=O)C2)c1c(Cl)cccc1Cl,bindingdb_998259
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)N1CCC1)O2,bindingdb_648003
+CCCSc1nsc(NC(=O)CC)n1,bindingdb_999888
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2CC(C)C,bindingdb_653393
+O=C(O)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4159613
+O=C(O)c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1,bindingdb_672579
+Cc1nn(C)c2ncc(C(=O)NC3CCCCC3)c(Cl)c12,bindingdb_417564
+COc1cccc(/C=C/C(=O)c2cccc(O)c2O)c1,CHEMBL4067328
+O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1,CHEMBL1518838
+Cc1ccc(-c2nc(COc3ccc(C[C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)cc1,CHEMBL481551
+CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,DB00731
+CC1(C)[C@H](NC(=O)c2cnccn2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1,CHEMBL1916242
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(N)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699441
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1cccc(F)c1Cl)CCS2,bindingdb_403494
+C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL565320
+CN(CC(=O)N1CCc2ccccc21)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349038
+NC(=O)N1CCC(C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646910
+Cc1nc(-c2ccc(Cl)cc2)oc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934479
+Clc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,bindingdb_584106
+CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccc(C(=O)O)cc2)c1)c1ccccc1,CHEMBL3695810
+CC[C@]1(C(=O)O)OC[C@@H](CCCCc2nc(-c3ccccc3)oc2C)CO1,CHEMBL447533
+CSC1=NC2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2)C1C#N,bindingdb_584400
+Cc1ccc(-n2c(C)c(C)c3c2CCC(F)(F)C3)cc1O,CHEMBL4174952
+CCOC(=O)Cn1c(SCCOc2cccc(CC)c2)nc2ccccc21,CHEMBL2316570
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F,CHEMBL3126951
+CC(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)CC1c1ccccc1,bindingdb_999648
+Cc1ccc2nc(-c3cnccn3)c(NCc3ccccc3)n2c1,CHEMBL4084069
+Oc1ccc2c(c1)SCC(c1ccc(Cl)nc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403437
+Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4075837
+CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(C(N)=O)cc2)cc1,CHEMBL4211906
+Cn1cc(C2CCN(C(=O)C3CCCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21,CHEMBL4281109
+Oc1ccc2c3c(cnc2c1)-c1cccc(C(F)(F)F)c1O[C@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050093
+Cc1noc(C)c1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650706
+Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(O)ccc21,CHEMBL207324
+Cc1ccc(C)c2oc(-c3noc(-c4ccc(C(=O)O)cc4Cl)n3)cc12,bindingdb_965487
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@H]4C[C@H]43)cc2)cc1,CHEMBL184421
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,DB00675
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(-c3ccno3)c2)cc1,CHEMBL3609403
+C=C1[C@H](O)CC(=C/C=C/C[C@@H](C)C[C@@H](C)CCCC(C)(C)O)C[C@H]1O,CHEMBL512922
+Oc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL244000
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-],CHEMBL2349054
+O=C(NC1CC(F)(F)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648058
+Cn1cc(C2CCN(C(=O)CC3CCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_645736
+COc1cc(CNC(=O)[C@H]2OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1,CHEMBL2407870
+Cc1ccc(C2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1,bindingdb_950139
+O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1,CHEMBL3263246
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(Br)cc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL390700
+COc1cc2[nH]c(=S)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC,bindingdb_584293
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N(C)C3CN(CCCF)C3)cn2)N1CC1(F)CC1,bindingdb_400999
+Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c(C)c1,CHEMBL220785
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CC(=O)O)O2,bindingdb_646885
+C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2,CHEMBL198053
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648428
+C[C@H](CCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1)Oc1cccc(CC(=O)O)c1,CHEMBL573651
+CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL373430
+Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221474
+CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1,CHEMBL33899
+C[C@H](NC(=O)c1cc(-c2sc(C(=O)NCC(C)(C)c3nnn[nH]3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F,bindingdb_648141
+CC(O)(COC(=O)c1ccccc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,CHEMBL374638
+CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21,CHEMBL69367
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3O)c2)c(Cl)c1,CHEMBL236648
+Oc1ccc2c(c1)OCCC(c1ccc3c(c1)CCO3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401038
+C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21,CHEMBL3358033
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1,bindingdb_646223
+O=C(O)c1ncc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1OCC1CC1,bindingdb_1018080
+CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1,bindingdb_91257
+CC(=O)Nc1ccc(OC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,CHEMBL511130
+O=C(O)CCc1ccc(-c2ccc(Br)cc2)o1,CHEMBL1370669
+CC(C)Oc1cc(C(=O)O)nc2ccc(OCC34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CO4)cc12,bindingdb_1017733
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1,bindingdb_647778
+O=C(O)c1ccc(-c2nn(C(=O)c3cccc4c3CCC4)c3ccccc23)c(F)c1,bindingdb_654567
+CCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c21,CHEMBL1765172
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2ccnn2)cc1,bindingdb_100363
+O=C(CSc1nnc(-c2ccccc2)[nH]1)c1ccc(O)c(O)c1,CHEMBL358546
+CC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL474295
+COc1ccc(-c2nc(COc3ccc4oc(C(=O)O)cc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081206
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]6[C@H]45)cc3)C[C@@]21C,CHEMBL263942
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)c(C)s2)ccc1OCC(=O)O,CHEMBL1081591
+C[C@@H](Oc1cc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O,CHEMBL1946566
+NC[C@H]1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_652511
+CCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL270879
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CCc1nc2cccc(Nc3cccc(C(=O)O)c3)c2o1,CHEMBL559890
+CC(C)Oc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168418
+COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1OC,CHEMBL2297680
+CCOC(=O)c1c(S(=O)(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c(C)n(C)c1C,bindingdb_55718
+Cc1nn(Cc2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337731
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C3CC3)C(F)(F)F)ccc2O1,bindingdb_645343
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nnccc1C,bindingdb_651969
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2nccn2)cc1,CHEMBL594034
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1,CHEMBL2426633
+CS(=O)(=O)c1cc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)ccc1C(N)=O,bindingdb_108429
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccsc2)cc1O,CHEMBL2031957
+CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1,CHEMBL1336223
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncc(Cl)cc3Cl)cc21,CHEMBL4166323
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC3CC2CO3)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183301
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)CC2CCN(S(=O)(=O)Cc3ccccc3)C2)s1,CHEMBL2059699
+COc1cc(NCCCC(C)N)c2ncccc2c1,CHEMBL468403
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)c(F)c1,bindingdb_653546
+COC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4060817
+O=C(CC=Nc1ccccn1)c1ccc(Cl)cc1,bindingdb_584123
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1CCN1CCCC1,CHEMBL4163375
+C[C@H](N)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_403664
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(S(=O)(=O)NC)cc1,bindingdb_652791
+CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1,CHEMBL198651
+O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(F)c1,bindingdb_69155
+COc1ccc(C)cc1-n1nnc(N(C)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356276
+CC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(CN(CC(F)(F)F)S(=O)(=O)Cc2ccccc2)c(F)c1,bindingdb_654672
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3)C[C@@]21C,CHEMBL221686
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CC1(F)F,bindingdb_653745
+Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1,CHEMBL596357
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1270644
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](N[SH](=O)=O)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183945
+O=S(=O)(Oc1ccc(/C=C/c2ccccc2)cc1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,CHEMBL4203290
+CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(=O)(=O)C(F)(F)F)cc5)c4)(CC2)CC3)n1,bindingdb_1017928
+COc1cccc(C(=O)Oc2cccc(O)c2)c1,CHEMBL2071174
+O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1F,CHEMBL1956368
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCCCC1,bindingdb_649286
+FC(F)(F)c1ccc(Cl)cc1COc1cccc(-c2c(-c3ccccc3)nnc3c(Cl)cccc23)c1,CHEMBL557702
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1,bindingdb_401065
+Cc1cc(NC(=O)P(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,CHEMBL505084
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(F)(F)F)c(C#N)n1,bindingdb_1143391
+CC(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C)c23)CC1,CHEMBL4277737
+COc1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C#N)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_650447
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)C2CC2)[C@H]1C,bindingdb_645345
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C3CC3)c2)c1)c1ccccc1,CHEMBL4214847
+COc1cnc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017541
+CN1CC[C@@H](N2C(=O)S/C(=C\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@H](F)C1,CHEMBL4174856
+O=C1CC(c2ccccc2)Oc2ccc(O)cc21,CHEMBL195033
+Cc1cc(C)cc(Nc2ccc(C(=O)O)cc2N)c1,bindingdb_69051
+N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1,CHEMBL247772
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)o1,bindingdb_961218
+CCCCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21,CHEMBL454367
+COc1ccc(OC)c2sc(NC(=O)c3ccc(Br)s3)nc12,bindingdb_100139
+CN(C)C(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1,bindingdb_757598
+N#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)cc12,CHEMBL371624
+CC[C@H](CC(F)(F)F)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2CC)cn1,bindingdb_1183128
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL601434
+CCC(O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,CHEMBL3673682
+O=C(O)C1CCN(C(=O)[C@H]2C[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652888
+CCOCCS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649330
+O=C(O)c1cc(F)c(-c2nn(Cc3cc(F)cc(Cl)c3)c3cccc(F)c23)cc1O,bindingdb_650364
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)[C@@H]3C[C@@H]3C#N)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_649015
+O=C(CSc1nnc(NCc2ccco2)s1)N1CCNC1=O,bindingdb_999777
+Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1,CHEMBL4170032
+CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC(=O)C[C@@H]12,CHEMBL3326465
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3SCC2)c(F)c1,bindingdb_402497
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2cccnc2)cc1,bindingdb_511810
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(O)nn1,bindingdb_649385
+Cc1cc(O)ccc1-c1cscc1-c1ccc(O)cc1C,CHEMBL2031541
+O=C(OC1CCOC1=O)c1ccc(-c2nc3ccccc3s2)s1,bindingdb_583996
+CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830945
+O=C(CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCOCC1,bindingdb_645392
+Cc1cc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1OCC(=O)O,CHEMBL207570
+CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1,CHEMBL3425533
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1ccccn1,CHEMBL4215929
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(C(F)(F)F)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126854
+COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F,CHEMBL1257343
+O=C(Cc1cc2ccccc2o1)c1ccc(O)cc1O,CHEMBL370039
+CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(Cl)cc1)C1CC1)c1nnnn12,bindingdb_1026207
+C=CCC1Oc2cccc(C=C)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL267940
+COc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccco4)CC3)n2n1,bindingdb_539944
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)NCCCCCC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc3)C[C@@]21C,CHEMBL454121
+CC(C)(C)c1ccc(-c2nnc(SCCC(=O)O)n2-c2ccccc2)cc1,CHEMBL4280097
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1,CHEMBL1835049
+O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)ncn2Cc1ccccc1,CHEMBL464866
+COc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1,CHEMBL1442697
+N#Cc1ccc(N2C3CCC2CC(=O)C3)cc1C(F)(F)F,CHEMBL3410852
+Cc1c(N2C[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl,CHEMBL229808
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CN1CC(C#N)C1,bindingdb_651360
+C[C@H](C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648834
+Cc1ccc(-c2nn(C(C)C)cc2CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1,CHEMBL3264991
+C=CCC1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL273658
+CCc1c(O)ccc2c1oc(=O)c1cc(Br)ccc12,CHEMBL426854
+CCC1(c2ccccc2)NC(=O)N(C)C1=O,DB00532
+CC(C)(C(=O)NC(=O)NCCO)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054348
+CCNC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL404160
+COC(=O)[C@](C)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccccc1OC,bindingdb_672491
+Cc1ccc(C)c(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)c1,bindingdb_403149
+CCc1cnc(-c2ccnc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1018585
+CC(C)(O)[C@H](F)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645785
+CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL274276
+CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C,bindingdb_760338
+CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_1004483
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2COc2cc(Br)ccc23)cc1,bindingdb_652977
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(-c2noc(C3CC3)n2)cc1,bindingdb_654659
+COc1ccccc1C(=O)Nc1ccc(C)c(Oc2ccc(O)cc2)c1,CHEMBL4165873
+CCOc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,CHEMBL220507
+CCCCCCC[C@H]1C(=O)C=C[C@H]1OCCCCCC(=O)O,CHEMBL511989
+O=C(c1cccc(Br)c1)N1CCn2nnnc2C1c1cccc(F)c1,bindingdb_648385
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018301
+CCOC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(CC(C)C)n1,bindingdb_1000182
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2cccc(F)c2)c(C)c1,CHEMBL3261417
+CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)cc(Cl)c32)ccc1O,CHEMBL3397337
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C)c4)cc3)C(=O)CCc3ccccc3)nccc2c1,bindingdb_1017425
+Cc1ccc(N2CCN(C(=O)CN(C)C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)cc1,CHEMBL2349032
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C[C@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_652655
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H]3C[C@@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_646074
+COc1ccc(OC)c(CN2CCn3nnnc3C2c2ccc(OC(C)C)cc2)c1,bindingdb_651668
+CN1CCC(C(=O)N[C@H]2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O,bindingdb_650856
+C=C(c1ccccc1)[C@@]12CN(C)C[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765957
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCSCC3)c(S(C)(=N)=O)c2)cc1,bindingdb_206517
+O=C(/N=c1\nc2ccccn2s1)c1ccccc1,bindingdb_69052
+Oc1ccc2c(c1)CCCC(c1ccc3c(c1)OCCO3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402125
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(c3ccc(Cl)cc3)C(F)(F)F)ccc2O1,bindingdb_647278
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)cc1O,bindingdb_646169
+CC(C)(O)CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1,CHEMBL4213534
+CC(=O)N1CCN(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317843
+COc1cccc(-n2nccc2-c2ccnc(NC(N)=O)c2)c1,CHEMBL3643661
+C=C1OC(CC)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(F)c3)C[C@@]12C,CHEMBL249426
+COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl,bindingdb_100151
+CC1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL268589
+CN(Cc1ccncc1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_650223
+COc1cc(-c2ccncc2)ccc1OCCCN1C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)C1(C)C,bindingdb_511827
+COCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1,bindingdb_206369
+CCOc1ccc(OCC)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,bindingdb_1005039
+CC(C)C[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)CC(F)(F)F,CHEMBL2426128
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_402015
+Cc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccccc3Cl)C2)cc1,CHEMBL3827169
+CN(C)c1ccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)N=C2c2ccc(Cl)c(Cl)c2)cc1,CHEMBL190264
+CC1(C)C(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL280805
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)cc1C(C)(C)O,bindingdb_650427
+O=S1CCC(c2ccc(OC(F)(F)F)cc2)=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc21,bindingdb_17546
+C=CC(=O)Oc1ccc(C(C)(C)CC)cc1,bindingdb_481764
+CC(C)(COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,CHEMBL179852
+Brc1ccc2[nH]c(-c3cc4ccccc4[nH]3)nc2c1,CHEMBL4167567
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCOCC3)c2)CC(C)(C)c2c(C(F)(F)F)n[nH]c21,bindingdb_1017785
+Cc1ccc(F)c(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)c1F,bindingdb_649011
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)CC(F)(F)F)O2)C(F)(F)F,bindingdb_652706
+OC[C@H]1O[C@H](c2nc(-c3nc(-c4cccs4)no3)cs2)C[C@@H]1O,bindingdb_69185
+CCn1ccnc1Cn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_168551
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL1462307
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnc(NCCS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648626
+CC(C)(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4059818
+O=C(NC1CS(=O)(=O)CC1O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649593
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](C(C)C)C(F)(F)F)cc1OC(F)F,bindingdb_1182896
+CC#C[C@]1(O)C[C@H]2CCc3cc(O)ccc3[C@]2(CC)C[C@@]1(C)O,CHEMBL3421886
+CC/C(=C(/CC)c1ccc(OCCCC(=O)NCc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1)c1ccc(O)cc1,CHEMBL22486
+COCc1cc(C2SCC(=O)Nc3c2c(O)nn3C(C)C)ccc1OC,CHEMBL1548516
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1CC1CCC(C)(C)OC1,bindingdb_1143415
+O=C(NS(=O)(=O)CCC(O)CO)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018202
+Cc1cc(CC(=O)O)cc(Cl)c1Oc1cc(C(C)C)c(=O)[nH]n1,CHEMBL3261319
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NS(C)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4173597
+O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCNCC1,bindingdb_1690
+CC1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCN(S(C)(=O)=O)CC1,bindingdb_651021
+CC(C)(CO)CN[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649277
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)cc12,CHEMBL3695862
+CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270681
+CC1(C)C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21,CHEMBL480140
+COC(=O)N1CCC(n2nc(C)c3c(O)c(C(=O)Nc4ccc(Cl)cc4)cnc32)CC1,bindingdb_18630
+Fc1ccccc1CN1CCn2nnnc2C1c1cccc(F)c1F,bindingdb_646251
+C=CC(=O)Oc1ccc(CCCCCCC)cc1,bindingdb_481748
+O=C(Nc1ccccc1O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,bindingdb_999898
+O=S(=O)(NC1Cc2ccc(-c3cc4ccccc4n3CCCOCc3ccccc3)cc2C1)c1ccccc1,bindingdb_107854
+O=c1oc2c3c4c(cc2s1)CCCN4CCC3,CHEMBL1564253
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cccnc32)cc1,CHEMBL197848
+CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(CC)C(=O)O,CHEMBL364774
+Cc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1,CHEMBL2381372
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc2c(c1)CCCC2,CHEMBL592234
+CCOc1ccc(S(=O)(=O)C23CCCN(C(=O)[C@H]4CC[C@](C)(C(=O)O)CC4)C2COc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_649230
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1017850
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1,CHEMBL1163902
+CC(C)c1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_18575
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2cccc(O)c2)c1,CHEMBL573383
+O=C(NC1CCCCC1)[C@H]([C@@H]1CCCCO1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21,bindingdb_846278
+CCO[C@@H](Cc1ccc(CCC(OC(=S)Nc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL401015
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ncccc1Cl)c1ccccc1,CHEMBL1821834
+Cc1nc(-c2cccc(C(F)(F)F)c2)sc1CNCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL3354989
+COCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_168450
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)[C@H]3C(C)C)cc1,bindingdb_271124
+CC(C)c1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@](F)(C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_653805
+C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CCC4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,CHEMBL2382124
+O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1,CHEMBL1548361
+Cc1nc(C(F)(F)F)ccc1CN1CCN(c2cccc(S(C)(=O)=O)c2)CC1c1ccccc1,bindingdb_58959
+CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=O)N1CC#N,CHEMBL188175
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CO)O2)C(C)=CC(C)(C)N3,CHEMBL394369
+CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)O,CHEMBL435278
+O=C(O)C1(c2ccc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)CCC1,bindingdb_1018849
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cccc(Cl)c3)oc2C)c1)C(=O)O,CHEMBL211513
+C[C@@]1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CN(C(=O)NCc2ccccc2)C[C@@H]1c1ccccc1,bindingdb_648628
+COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1,CHEMBL3589969
+NC(=O)Nc1cc(-c2ccnn2-c2nccs2)ccn1,CHEMBL3643665
+CCS(=O)(=O)N1CC(CCNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_1127459
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO,CHEMBL4650316
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL25259
+Cc1cccc(C)c1NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O,bindingdb_112055
+C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2C[C@H]3CC[C@@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_648806
+N#C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1,CHEMBL1950809
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)[C@H](c3ccccc3)C2)c1,bindingdb_68685
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)ccc1Cl,bindingdb_401023
+CCN1CCc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc21,bindingdb_403039
+CN(C)c1ccc(-c2nc3ccccc3n2C)cc1,bindingdb_584203
+N#CC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1,CHEMBL4100538
+Fc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1,bindingdb_648145
+COc1cc(C)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356181
+COC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1,bindingdb_89250
+CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CHEMBL144489
+Cc1cccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)c1,CHEMBL3234615
+O=C1CC[C@@]2(CCC3CC3)Cc3c(ccc4[nH]ncc34)C2=C1Br,CHEMBL211800
+CCc1cc(-c2ccsc2/C=C/C(C)=C/C(=O)O)c(OCC(F)F)c(C(C)(C)C)c1,CHEMBL129887
+CCCCN(c1ccc(F)c(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760414
+Oc1ccc2c(c1)SCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403981
+O=C(CCCCCCC(=O)Nc1ccccc1)NO,bindingdb_69121
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C(=O)N1CCOCC1)c1ccccc1,CHEMBL385544
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2(CO)CCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184040
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccc(O)cc21,bindingdb_1000351
+C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)NS(=O)(=O)C2CCOCC2)nc1,bindingdb_1017801
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O,DB01541
+N#Cc1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1,CHEMBL2381365
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(CCS(=O)(=O)CC4)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL3314001
+CCOc1ccc(C#CC(O)(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070372
+O=[N+]([O-])c1ccc(C2=NOC3CCCCCCC23)cc1C(F)(F)F,CHEMBL2159547
+O=C(CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3Cl)noc2C2CC2)c(F)c1)NS(=O)(=O)C1CC1,bindingdb_1017604
+[O-][n+]1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_401877
+Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1Cl,CHEMBL260840
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCC(C(C)(C)C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263694
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1,bindingdb_652039
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C(C)C)nc1,bindingdb_1127500
+O=C(O)c1ccc(NCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)nc1,bindingdb_1018946
+CCOC(Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(Cc2ccccc2)c1)C(=O)O,bindingdb_988862
+CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1-c1ccc(F)cc1,bindingdb_69081
+CC(=O)Nc1ccc(/N=C/c2nc(-c3ccc(C)cc3)oc2O)cc1,CHEMBL3189964
+CCO[C@@H](Cc1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL314483
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@H](C(=O)O)[C@@H](O)C2)c2ccccn12,CHEMBL3598155
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@@H](CC(F)(F)F)C2CC2)cc1OC(F)F,bindingdb_1183053
+CC(/C=C/[C@]12CCC[C@@]1(c1ccc3c(c1)C(C)(C)CCC3(C)C)C2)=C\C(=O)O,CHEMBL310047
+CC(C)CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)cn1)S(=O)(=O)Cc1ccccc1,CHEMBL3263713
+CC/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228878
+CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3)cn2)CCO1,bindingdb_558657
+COc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn2ncnc12,bindingdb_1018541
+Cc1cccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc12,bindingdb_958536
+OC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1,bindingdb_999601
+C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)c(F)c1)CCC(=O)O,CHEMBL3975891
+CC(=O)n1c2c(c3cc(O)ccc31)CSc1ccccc1-2,CHEMBL207518
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1,CHEMBL212911
+CC[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_270934
+CC(=O)N1CCN(C(=O)[C@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_647788
+CCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(CO)c2)cc1)C(=O)N(C)OC,bindingdb_949601
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3N3CCOCC3)n3ccccc23)cc1O,bindingdb_998320
+Cc1c(O)ccc2c1OC(C)c1c-2ccc(O)c1C,CHEMBL381337
+CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,DB11994
+CC(C)n1nc(NC=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598276
+Cc1cc(-c2ccccc2)cc(C)c1O[C@@H](Cc1ccccc1)C(=O)O,CHEMBL2312709
+C[C@@H](O[C@H]1CN2C(=O)C(N)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1097693
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCC[C@@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1630755
+Clc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,bindingdb_1004931
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C2CCCCC2)cc1,CHEMBL597956
+CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc2[C@H]1O,CHEMBL1627351
+O=C(O)c1cc(OCC2CCC2)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017897
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(CN2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206371
+O=S(=O)(c1ccccc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650052
+CC(=O)N[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_651978
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)s1,CHEMBL2381200
+CC(C)c1cc(Oc2c(Br)cc(CP(=O)(O)O)cc2Br)ccc1O,CHEMBL519721
+C[C@H](CCn1oc(=O)[nH]c1=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4167134
+CC(C)(O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054307
+COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(Cl)cc1)C(F)(F)F,CHEMBL201304
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(CO)o1,bindingdb_1130943
+O=C(O)c1cccc(-c2nc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)no2)n1,bindingdb_1017937
+COc1cccc(C(=O)Nc2cc(Cl)c(Oc3ccc(O)cc3)c(Cl)c2)c1,CHEMBL4166357
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(/C=C/c2ccccc2)cc1,CHEMBL577607
+O=C(N1CCc2cc(O)ccc2C1)C(Cl)(Cl)Cl,CHEMBL1766975
+CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,bindingdb_760165
+CCOc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SC1,bindingdb_401869
+CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(C)cc1,bindingdb_999677
+N#Cc1ccc([C@@H]2CCCC[C@@H]2O)cc1C(F)(F)F,CHEMBL458506
+CCOC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C)c4)cc3)C(=O)C3CCCCC3)cccc2n1,bindingdb_1018645
+COc1ccc2c(c1)CCN(C(=O)Cc1cc(=O)[nH]o1)[C@H]2C(=O)Nc1ccc(C(C)(C)C)c(F)c1,6br2
+Cc1ccc(F)c([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)c1,CHEMBL3699357
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2cc(O)ccc21,CHEMBL1800985
+COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(O)cc2)on1,bindingdb_1026126
+Cn1cc([C@@H]2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21,bindingdb_654089
+Cc1cccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C,CHEMBL1516948
+O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1,bindingdb_292620
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)O,CHEMBL377093
+CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1,CHEMBL1406018
+COC(=O)C(NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2Cc1cccc2c1OC(F)(F)O2)C1CCN(S(C)(=O)=O)CC1,bindingdb_270634
+C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H]5C(=O)CC[C@@]43C[C@H]5O)[C@@H]1CC[C@@H]2O,CHEMBL245576
+O=S1(=O)CC2N=C(N(Cc3ccc(F)cc3Cl)c3ccccc3F)SC2C1,bindingdb_112064
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1OCc1cc(C)nn1C,bindingdb_651893
+CC(=O)N1CCN(c2cnc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)nc2)CC1,bindingdb_652229
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)NC3CCOCC3)c1Cl)n2C,bindingdb_648942
+CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL306229
+Cc1ccc(Cc2c(-c3ccc(Br)cc3)nc3cc(C)ccn23)cc1,bindingdb_69218
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)(C)CO)CC3)c1Cl)n2C,bindingdb_206317
+NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N,bindingdb_539947
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCCO)O2,bindingdb_646929
+CCCCCCCc1ccc(C(=O)/C=C/c2ccccc2)cc1,CHEMBL449354
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@@H](O)CO)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649791
+c1csc(C2c3nnnn3CCN2CC2CCCCC2)c1,bindingdb_648426
+CNc1cncc(-c2ccc(OC)c(OC)c2)n1,bindingdb_672421
+CC(=O)N(Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)Cc1nc(-c2ccccc2)oc1C,CHEMBL478563
+Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)ccc1Br,CHEMBL4073314
+CC[C@@H]1C[C@](O)(C(F)(F)F)[C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c21,CHEMBL4090392
+CS(=O)(=O)c1cccc(N2CCN(CC3CCN(CC(F)(F)F)CC3)[C@@H](c3ccccc3Cl)C2)c1,bindingdb_1130880
+CCCCCCOc1ccc2c(c1)CCC(CN(C)C)C2=O,CHEMBL552392
+CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1,CHEMBL1453259
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)F)nc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402513
+Oc1ccc(C(=Nc2ccccc2Cl)c2ccc(O)cc2)cc1,CHEMBL3234617
+Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(CC(C)F)CC3)c1Cl)n2C,bindingdb_650240
+CCCCCCc1ccc(C(=O)CCl)cc1,CHEMBL236339
+O=C(O)c1cc(OC(F)F)cc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CO4)n2)c1,bindingdb_1018156
+C[C@](O)(CO)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_653215
+Cn1nnnc1/C=C/c1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1,bindingdb_402146
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1131074
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ccc(C(F)(F)F)cc1Cl,CHEMBL2024612
+O=c1[nH]c2c(s1)C(c1ccc(O)cc1)C1C3CCC(C3)C1S2,bindingdb_17382
+COc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cc(C)cc32)cc1,CHEMBL1668067
+CC1(C)[C@H]2CC[C@]1(c1ccnc(N3CCN(CCS(C)(=O)=O)C(=O)C3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651098
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2OCC1,bindingdb_402236
+O=C(O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3ccccc32)cc1,CHEMBL4228388
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(C)ccc2ccccc12)C(F)(F)F,CHEMBL236754
+COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1,bindingdb_112169
+CCS(=O)(=O)c1ccc([C@@H](NC(C)=O)C(=O)Nc2cc(-c3cccnc3OCc3ccc(OC(F)(F)F)cc3)cs2)cc1,CHEMBL4159819
+Cc1cc2nc(C(=O)O)ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1,CHEMBL203555
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCNC(=O)OC4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL266935
+O=C(Cc1ccncc1)NCC1C2CCc3cc(I)ccc3C21S(=O)(=O)c1ccc(F)cc1,bindingdb_647547
+Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN(c3cccc4c3cnn4-c3ccc(F)cc3)C2)c(C)c1,CHEMBL3945990
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)F)n1,bindingdb_648189
+N#Cc1ccc(N2CCc3c(ncnc3Nc3nc(C(F)(F)F)c(C(=O)NCC(F)(F)F)s3)C2)cc1C(F)(F)F,bindingdb_475986
+CCC(Oc1cccc(CN(CCCOc2ccc(C)c(C)c2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL246281
+COCCn1cnc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18578
+CC(C)(C[C@H]1CN(S(=O)(=O)c2cncc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(N)=O,bindingdb_649361
+O=c1c(-c2ccc(O)cc2)c(Oc2ccc(O)cc2)oc2cc(O)ccc12,CHEMBL35204
+CC(C)c1ccccc1-c1sc2cc(OCN3C(=O)c4ccccc4S3(=O)=O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401216
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_1183342
+CC(C)c1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)O)cc2)CCc2ccc(-c3ccccc3)cc2)cc1,CHEMBL20125
+N#Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,CHEMBL220508
+C=C(c1ccccc1)[C@@]12C[C@@H](O)C[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765963
+COc1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1,CHEMBL4088364
+CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O,bindingdb_17418
+CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1,CHEMBL3422050
+CC(NNC(=O)c1cc2ccccc2cc1O)=C1C(=O)c2ccccc2C1=O,bindingdb_831316
+CC(=O)c1ccc(OCc2nc3ccc(Oc4cc(C)c(N)c(C)c4)cc3n2C)cc1,CHEMBL4302681
+COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)cc3Cl)oc2-c2ccc(OC)cc2)cc1,CHEMBL1081241
+Cn1c(C#N)ccc1-c1ccc(O)cc1C(F)(F)F,CHEMBL4073399
+CCCCC(O)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL244713
+C=CC(=O)c1ccc(CC(C)(C)C)cc1,CHEMBL237611
+CCCCCCOc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,CHEMBL551778
+COC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645879
+CC1(C)OC(=O)CC1NC(=O)C[C@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_653901
+O=C([C@H]1CC[C@](F)(C(=O)O)CC1)N1CCC2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NCC12,bindingdb_646977
+CCOC(=O)N1C[C@H](CC(=O)O)[C@H](c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)C1,CHEMBL3398434
+Cc1nc(C(F)(F)F)c(Cl)n1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-n1nncc1-c1ccc(OC(F)(F)F)cc1,CHEMBL3342785
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(C4CS(=O)(=O)C4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654597
+O=C(NCc1ccccc1Cn1cccc1C(=O)O)Nc1ccc(OC(F)(F)F)cc1,CHEMBL2180634
+CCOc1cc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)ccc1NC(=O)CC,bindingdb_760470
+CCS(=O)(=O)CCn1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_651123
+CC[C@@H](CN1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL183092
+Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1,CHEMBL1093774
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)C4CC5(CC(C(=O)O)C5)C4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_651627
+CCn1nc(C(=O)NC[C@H]2CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183947
+O=C(O)c1cnc2c(c1)Oc1cnc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2,bindingdb_1018765
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(C3CCC4(CC3)CC4)noc2C2CC2)cc1,bindingdb_1018260
+CC(C)(C)C(=O)Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(OC(=O)C(C)(C)C)ccc21,CHEMBL381489
+Cn1c([C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)n[nH]c1=O,bindingdb_647129
+CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC(F)(F)F)c1,CHEMBL3092206
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1,CHEMBL425099
+COC1CN(C(=O)c2ccc3c(C4=CC[C@H](C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3c2)C1,bindingdb_648198
+CN1C[C@H]2[C@H](C(=O)NC3CCN(S(C)(=O)=O)CC3)CC[C@@]2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_649547
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(=O)N2CCC2)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_645659
+Oc1ccc2c(c1)OCC(c1ccc(F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402584
+CCCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@@H](CC)C(=O)O)cc1,CHEMBL1813205
+Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)o2)ccc1OCC(=O)O,CHEMBL1079752
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2cc(OCc3ccccc3)ccc21,bindingdb_107881
+Cc1cccc(S(=O)(=O)N2C[C@H](C)Oc3ncc(NC(=O)c4c(F)cccc4Cl)cc32)c1,bindingdb_998094
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(N[C@H]2CCN(CCCF)C2)cc1,bindingdb_402203
+O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccccc1Cl,CHEMBL4071197
+Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)c([C@@H]2CCN(C(=O)[C@H](C)C4CCCC4)C[C@@H]2C)cn3C)c1,bindingdb_654106
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1,CHEMBL562172
+C[C@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(N2CCOCC2)n1,bindingdb_475621
+CC(C)(C)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647905
+COc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2,CHEMBL2336980
+COC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_107871
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2C[C@H](O)C2)sc1-c1cnc(N[C@H](C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1184052
+O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1548822
+O=C1C(=O)N(CC2CCCO2)C(c2ccc(Cl)cc2Cl)C1C(=O)c1ccco1,bindingdb_87221
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)O)c3)cc12,CHEMBL3736075
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3905813
+CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,CHEMBL460647
+CCCCN(CCCC)C(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C,CHEMBL481302
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCC[C@H]1c1ccc(F)cc1,bindingdb_648423
+COc1ccc2c(c1)OCC(C(=O)c1cc(O)ccc1O)=C2,CHEMBL4094011
+COc1ccc(OC)c(-n2nnc(Nc3ccc(C(C)(C)C)cc3)c2C)c1,bindingdb_356256
+CCC/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963521
+CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL417627
+Cc1cc(SCC(C)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O,CHEMBL390004
+O=S(=O)(NCC(O)COCc1ccco1)c1cccs1,CHEMBL1607897
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCCCC)cc3)C[C@@]21C,CHEMBL459203
+C[C@@H](CCO)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CHEMBL3099428
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cncc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652159
+O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCC1CCCCC1,CHEMBL1367408
+COc1cccc2c1-c1ccc3c(c1C(C1C=CCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL46199
+CS(=O)(=O)N1CCC(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,bindingdb_653380
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)C4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019149
+Oc1ccc(C(=Nc2cccc(C(F)(F)F)c2)c2ccc(O)cc2)cc1,CHEMBL3234620
+O=C(O)c1ccc2c(c1)CCCC(c1ccccc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403274
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cc3)cc21,CHEMBL4172725
+CCCCCCC1=C(c2ccccc2)[C@]2(OC3CCCCC3)CCC[C@@H]2C1,CHEMBL1765931
+O=C(CC=Nc1ccc(F)c(Cl)c1)c1ccco1,bindingdb_999589
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(C)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271138
+CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)nc(O)c2c1C,CHEMBL1336564
+Cn1c(=O)c2c(ncn2CCCNC2=CC(C)(C)CC(=O)C2)n(C)c1=O,CHEMBL1538135
+CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1,DB00799
+CN(C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccn1,CHEMBL479001
+Cn1ncc2c1CN(C(=O)C[C@H]1CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O1)C2,bindingdb_645110
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)C(F)(F)F)ccc2O1,bindingdb_646668
+COc1cc(F)cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1,CHEMBL3695869
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1)Oc1ccccc1-3,CHEMBL136464
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3c(F)cc(N4CCCC4)cc3F)C[C@@]21C,bindingdb_168599
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(Cl)cc2)[C@H]3C(C)C)nc1,bindingdb_270693
+O=C(O)C(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,CHEMBL198367
+O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21,3oki
+Cc1ccnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1,CHEMBL4176938
+CCCCN(C)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143239
+CC(C)C1CCC(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)CC1,bindingdb_1004505
+CNC(=O)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645120
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCCN3CCCCC3)cc2)c2ccccc12,CHEMBL396119
+CC(=NNC(=O)c1ccccc1O)c1cccs1,bindingdb_69108
+CO/N=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682423
+Cc1nn(CC(F)(F)CCO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337830
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652833
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(O[C@H]2CC[C@H](C(F)(F)F)CC2)n3CC(C)C)cc1,bindingdb_270709
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCCN3CCOCC3)cc12,CHEMBL3695823
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(/C=C/c3ccccc3)cc(/C=C/c3ccccc3)c2)cc1)C(=O)O,CHEMBL247111
+CCOC(=O)C1=C(C)S/C(=C\N(C)C)C1=O,CHEMBL1421864
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640827
+CC1CCc2nc(NC(=O)c3ccco3)sc2C1,bindingdb_584405
+CCn1c(-c2csc3c2CCCC3)n[nH]c1=S,bindingdb_939482
+CC(C)(O)C(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c2Cl)s1,bindingdb_645910
+O=C(O)Cc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cn1,bindingdb_1018893
+O=C(O)c1ccc(-c2cn(C(=O)c3c(Cl)cccc3C3(C(F)F)CC3)c3cccnc23)c(F)c1,bindingdb_646332
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F,bindingdb_645387
+COc1ccc(C(=O)c2ccccc2)c(O)c1,DB01428
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183293
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271076
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(OCCNCCCF)c2F)N1CC1(F)COC1,bindingdb_402375
+Cc1nnc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)o1,CHEMBL1916246
+O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1,bindingdb_112182
+O=C(C1CCS(=O)(=O)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_647758
+CCOc1c(F)cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1Cl,bindingdb_402921
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1Cl,CHEMBL598156
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1cccc(F)c1C3,CHEMBL93690
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C#N)cc2)[C@H]3[C@H]2CCOC2)cc1,bindingdb_54899
+C=C1CCCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51669
+O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Br)o1,bindingdb_953896
+CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1,CHEMBL4525767
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-],CHEMBL2348922
+CN(C)CCN(C)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_648261
+O=C1CCC2(c3ccccc3)Cc3cc(O)ccc3C2=C1c1ccco1,CHEMBL377224
+CC[C@@H]1c2ccc(C(=O)N[C@@H](COC(N)=O)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271222
+COC(=O)NC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,bindingdb_649112
+CCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1C,CHEMBL250286
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ncc(C(=O)NCC(F)(F)F)nn3)C2)cc1C(F)(F)F,bindingdb_476085
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-],CHEMBL2348880
+CCOc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1,CHEMBL241269
+Brc1ccc(-c2noc(-c3ccccn3)n2)o1,bindingdb_999830
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC,CHEMBL4162949
+c1cc2c3c(cccc3c1)NC1(CCCCC1)N2,CHEMBL1416882
+O=C(O)c1cc(O)cc2c(Br)cn(-c3ccc(O)cc3)c(=O)c12,bindingdb_1050228
+Oc1ccc2c(c1)CO[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,CHEMBL183162
+C[C@H](CCCC(C)(C)O)C1CC[C@H]2/C(=C/C=C3\C[C@@H](O)C4=CCCO[C@@H]4C3)CCC[C@]12C,CHEMBL239096
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](N[SH](=O)=O)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183844
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018089
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Sc4ccc(Cl)c(N)c4)cc3)O[C@]12C(=O)CO,bindingdb_417325
+COc1ccc2ncc(-n3c(C)c(Cc4cccc(O[C@@H](C)C(=O)O)c4)c4cc(OC(F)(F)F)ccc43)cc2c1,CHEMBL365387
+CCc1nc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(C)C)s1,bindingdb_654145
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(F)c(C)c4)oc3C)ccc21,CHEMBL199645
+CCCc1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c2ccccc12,bindingdb_652837
+C/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL3422035
+CC(C)OC(Cc1ccc(OCCc2noc(-c3ccccc3)n2)cc1)C(=O)O,CHEMBL77040
+N#Cc1ccc(Oc2ccccc2O)cc1C(F)(F)F,CHEMBL471645
+COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1,CHEMBL4159072
+Oc1ccc2c(c1)C(c1ccc(N[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(F)cc1Cl)CC2,bindingdb_402398
+O=C(O)C1CN(C(=O)[C@H]2C[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_653366
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C,bindingdb_206427
+C=CCNC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL498651
+N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1,CHEMBL1364710
+C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CC[C@@]1(O)c1ccc(N2CCCC2=O)nc1,CHEMBL2337516
+Oc1ccc(-c2ccc(-c3ccc(O)cc3Cl)s2)c(Cl)c1,CHEMBL2332594
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(C4(O)CCC4)c3)C2)CC1,bindingdb_652631
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O,CHEMBL3355868
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)cc3)oc2C)c1)C(=O)O,CHEMBL214272
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC3CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4228045
+O=C(O)c1cc(C(=O)N2CC3CCc4cc(C(F)(C(F)(F)F)C(F)(F)F)ccc4C3(S(=O)(=O)c3ccc(F)cc3)C2)[nH]n1,bindingdb_648531
+CCCC/C(=C\c1cc(OCC2CCC(C(F)(F)F)CC2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397727
+O=C(O)c1ccccc1Nc1cccc(-c2ccccc2)c1,bindingdb_476131
+Oc1ccc2c(c1)C=C(c1ccccc1)C21Cc2ccccc2C1,CHEMBL144897
+C#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12,CHEMBL198445
+CC(O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL3185021
+CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)N1,CHEMBL1762201
+COc1ccc(NC(=O)C(=O)NCC2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,bindingdb_55572
+COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC,CHEMBL1346015
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccnc3)c2)c(Cl)c1,bindingdb_481671
+CC(C)c1cc(S(=O)c2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O,bindingdb_965671
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4ocnc4c3)C[C@@]21C,CHEMBL1950693
+C[C@H](N)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_650593
+CC[C@@H](C)n1c(=O)c(NCc2ncc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_648856
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c2c1CCN(C(=O)OCC(C)(C)C)C2,CHEMBL387373
+O=C(/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)NCCC(F)(F)F,CHEMBL4098433
+CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(-c2ccc(O)cc2)cc1F,CHEMBL496881
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NN3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_650693
+COc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL239562
+Cc1c(C)n(Cc2cccc(O[C@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678114
+COc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)O)c(C)c3)c2)c(C)c1,CHEMBL237306
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3nccs3)c2)c(Cl)c1,CHEMBL235164
+CC(C)(C)c1ccc(CC(C(=O)O)c2ccc(COc3cccc(-c4ccc(C(F)(F)F)c5ncc(C(=O)c6ccccc6)cc45)c3)cc2)cc1,CHEMBL253730
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)(F)F,bindingdb_1182853
+CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1086116
+CC(C)COc1cc(C(=O)O)nc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1017712
+COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,bindingdb_1026202
+COCCN(C)Cc1cnc(N2CCN(c3ccc(CO)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143441
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccccc2)c1)C(=O)O,CHEMBL489765
+COc1ccc(OCC(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1,bindingdb_1026213
+COc1cc(O)c(CC=C(C)C)c2c1C(=O)CC(c1ccc(O)cc1)O2,CHEMBL492828
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(COc4ccccc4)oc3C)ccc21,CHEMBL199449
+CCN(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1,CHEMBL4205664
+CC1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)COP(=O)(O)OC1,bindingdb_651032
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(C)(=O)=O,bindingdb_648092
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)n1,bindingdb_402115
+CCN1C(=O)COc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SC3)ccc21,bindingdb_401814
+CS(=O)(=O)Oc1ccc(CCCCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1,CHEMBL520856
+O=C(NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)CO,bindingdb_646109
+O=C(O)c1ccc(-c2noc(C34CCC(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)(CC3)CC4)n2)cn1,bindingdb_1017646
+O=C1O[C@](Cc2ccccc2)(C(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1,CHEMBL2407661
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(C3)CS(=O)(=O)C4)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_649570
+OC(c1cccc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,CHEMBL1094526
+SC1=Nc2ccc(-c3ccccc3Cl)cc2C12CCCCC2,CHEMBL25061
+O=C(CC1CN(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1)N1CCOCC1,CHEMBL4205428
+CO/N=C(\C)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL231425
+COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1,CHEMBL3189821
+Oc1ccc2c3c(cnc2c1)-c1cccc(F)c1O[C@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050048
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F,bindingdb_292586
+CCc1ccc(NC(=O)c2cnn3ccccc23)cc1,bindingdb_999965
+C[C@@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C,CHEMBL3746107
+O=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Br)o1,bindingdb_953928
+COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1,bindingdb_292640
+CC(C)C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1,CHEMBL4278903
+COc1ccccc1C(=O)/C=C/c1ccccc1[N+](=O)[O-],CHEMBL1802077
+CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O,bindingdb_1004918
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2ncccn2)cc1,bindingdb_18596
+O=C(O)c1cc(F)c(-c2nn(Cc3c(Cl)cccc3C3CC3)c3cccc(F)c23)cc1O,bindingdb_652190
+Cc1ccc2c3nc4ccccc4[nH]c-3cc2c1,bindingdb_999573
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1,CHEMBL3105806
+O=C(O)c1ccc(-c2nn(Cc3ccccc3-n3cccn3)c3cccc(F)c23)c(F)c1,bindingdb_652185
+Cc1ccc(-n2c(O)c3c(c2O)CC(c2ccccc2)CC3)cc1,bindingdb_112134
+CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccnc3)cc2Cl)ccc1O,CHEMBL3613427
+C=C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL246138
+O=C1C(Cc2ccccc2)=C(NCCCCc2ccccc2)C(=O)N1Cc1ccccc1,6s5k
+CC(C)NC(=O)n1c(-c2ccccc2)cc2c1CN(S(=O)(=O)c1cccs1)CC2,bindingdb_846267
+CC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652108
+CC(C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2CC1(C)C,CHEMBL3775766
+O=C(O)c1ccc(OC2CCC2)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018408
+C[C@](O)(Cn1cc(-c2ccccc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_476051
+CCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)nc4c(C(F)(F)F)cccn34)c2)c1,CHEMBL595937
+NS(=O)(=O)[C@@H]1CCC[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018148
+O=C(O)c1ccccc1Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1,bindingdb_476107
+CCOC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230050
+CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl,bindingdb_958592
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C#N)cc2)[C@H]3C(C)C)cc1,bindingdb_271040
+Cc1c(-c2ccc(O)cc2Cl)c(=O)oc2cc(O)ccc12,CHEMBL4076313
+CCCc1cc2c(oc(=O)n2C(C)C)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL193082
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]2O[C@@H]2C1,bindingdb_651907
+O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1,CHEMBL145544
+O=C(O)c1cc(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)ccc1F,bindingdb_1018045
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1183845
+CCOC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)c2c1[nH]c1ccccc21,CHEMBL453912
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)nc4c(C(F)(F)F)cccn34)c2)c1,CHEMBL611735
+CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccccc3)ccc21,CHEMBL4225064
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1-c1ccccc1,CHEMBL123579
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(CCC(=O)O)c4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_54986
+Oc1ccc2c(c1)OCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_17563
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)C1CCC(C)(O)CC1,bindingdb_1130794
+CC(=O)Nc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCCC2)C2CCCCC2)c1,bindingdb_846257
+CCn1c(CCCc2ccc(CC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264929
+O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3)cc2c1,CHEMBL4168059
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@@H](CNS(C)(=O)=O)[C@H]2C)c(OCCO)n1,bindingdb_645191
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C,bindingdb_206518
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C2CCCCC2)c1,CHEMBL1760274
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(O)cc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3798836
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1,bindingdb_653220
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-],CHEMBL2348897
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cncc(Br)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652445
+Clc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1,CHEMBL1407977
+CC(C)Oc1cc(CCC(=O)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1,CHEMBL1933846
+Oc1cccc(-c2nc3ccccc3s2)c1,bindingdb_672350
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3Cl)c3cccc(F)c23)cc1,bindingdb_651424
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@@H](F)C3)cc2)cc1,CHEMBL184679
+O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL384533
+CC(C)CN([C@H](C)c1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_651090
+COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1,CHEMBL1347701
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2cnco2)c(F)c1,bindingdb_18560
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1C[C@H](C)C(=O)O,CHEMBL3622997
+O=c1[nH]c(=O)c(Cc2cccc(C(F)(F)F)n2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204058
+COc1ccc2c(c1)c(Cc1ccc(C(=O)O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL178321
+CN(C)C(=O)c1cnc(N2CCN(c3cc(F)c(CO)c(S(C)(=O)=O)c3)C[C@H]2c2ccc(F)cc2)nc1C(F)(F)F,bindingdb_1130714
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C(=O)O)c1,CHEMBL3398447
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N(C)CCNCCCF)cc2F)N1CC(F)F,bindingdb_402743
+CC(C)n1nc(NC(=O)NC(CO)CO)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598281
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccsc1,CHEMBL569044
+O=C(NCC1CCCO1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1,bindingdb_1765
+CNC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,bindingdb_124670
+CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1ccco1,CHEMBL1433155
+C=C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL203748
+CCCCCOc1ccccc1C(O)CC#CCCCC(=O)OC,CHEMBL194698
+Cc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,bindingdb_999587
+CCCCCOc1ccccc1C(O)C/C=C\CCCC(=O)OC,CHEMBL2113104
+CN(CC(=O)N1CCCCC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349036
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc([C@@H](O)CCO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654217
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC(F)(F)C(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL3746759
+Cc1cc(SCC(COc2ccc(C(F)(F)F)cc2)OCC(=O)O)ccc1OCC(=O)O,CHEMBL397218
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(C=O)cc2)cc1O,CHEMBL2031954
+CCC(Cc1ccc(OC)c(CNCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL118976
+Cc1nc(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)c[nH]1,bindingdb_645358
+Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C(C)CC(=O)O,bindingdb_401169
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1Cl,CHEMBL206131
+CC(=O)N1CCC(CNC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_653185
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-],CHEMBL2348891
+Oc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc(O)cc3C2)cc1,CHEMBL364442
+Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCC(=O)O,CHEMBL1079489
+C/C=C/C(=O)c1ccc(CCCCCCC)cc1,CHEMBL396089
+CCOC(=O)N1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1,bindingdb_69190
+CC[C@@H](Cc1ccc(O)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094487
+O=C(O)Cn1ncc2c1CCC(c1ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc1)(S(=O)(=O)c1ccc(F)cc1)C2,bindingdb_650641
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ncco2)c1,CHEMBL391470
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2S(=O)(=O)CC1,bindingdb_402171
+O=C(O)c1ccn2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc2c1,bindingdb_1017577
+CC[C@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C4CC4)ncnc3C3CC3)nc21,bindingdb_649750
+C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)cc1F,bindingdb_1017705
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1cnc(NCCSC(F)(F)F)cc1OC,bindingdb_1183642
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCSC4)nc4c(C(F)(F)F)cccn34)c2)c1,CHEMBL612007
+COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_403227
+CCOc1ncc(-c2cccc(N(CC34CCC(c5noc(C6(C)COC6)n5)(CC3)CC4)C(=O)C3CC(O)(C(F)(F)F)C3)c2)cn1,bindingdb_1019062
+COc1nc2ccc([C@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCN(CC(F)(F)F)CC1,bindingdb_645380
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271092
+O=c1oc2ccccc2cc1-c1cn2ccccc2n1,bindingdb_112091
+Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O,CHEMBL38508
+CCSc1nnc(NC(=O)c2ccccn2)s1,bindingdb_69199
+CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1,bindingdb_375356
+O=C(NS(=O)(=O)CC1CCOC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018291
+CCCCCCC[C@H]1C(=O)C=C[C@@H]1OCCCCCC(=O)O,CHEMBL472071
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ncccc2o1,CHEMBL1940697
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CCC(F)(F)F,bindingdb_652124
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(C#N)cc1,CHEMBL3581687
+COc1ccc(/C=C/c2cc(F)cc(F)c2)cc1,CHEMBL178806
+COc1ncc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)c(OC)n1,CHEMBL425116
+CC(CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)S1(=O)=O,CHEMBL3402133
+CCCCOCCOc1nc(-c2ccc(C(=O)O)c(F)c2)sc1C,CHEMBL198997
+COc1ccc(C)cc1-c1ncc(C(=O)c2ccc(C(C)(C)C)cc2)n1C,bindingdb_356327
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)N3Cc4ccccc4C3)cc2)cc1,CHEMBL4278285
+CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](OC(=O)CC)[C@@H]2OC(=O)CC,DB14641
+CC(C)CCOc1c(Br)cc(CC(=O)O)cc1Br,bindingdb_481579
+CCCc1nc2ccc(Br)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL1214823
+Cc1ccc(C)n1-c1c(C#N)cnn1-c1cccc(Cl)c1,CHEMBL4277640
+CCc1ccc(OCCCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1,CHEMBL213314
+Cc1nc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C,bindingdb_206614
+C[C@H](O)Cn1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nn1,bindingdb_650412
+C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C,bindingdb_1004911
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_646487
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H]1CCCN31,CHEMBL227749
+C[C@H](CCNC(=O)OCc1ccc(C(=O)O)cc1)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138091
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)s2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640844
+CC(C)c1cc(Sc2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O,CHEMBL3261328
+CC(C)(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1,CHEMBL3678089
+CC(C)(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147564
+CNC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650611
+C[C@@H]1C[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CCC1NC(=O)OC(C)(C)C,bindingdb_653037
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_271229
+CC1=C(c2cccc(O)c2)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21,bindingdb_402431
+CC1(C)OC(S)=Nc2ccc(-c3ccccc3Cl)cc21,CHEMBL24672
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cn2)N1CC(F)(F)CO,bindingdb_401139
+CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,bindingdb_55530
+Oc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1)CC2,CHEMBL429324
+CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL381477
+O=C(Cc1ccncc1)NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_649153
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1)C(=O)O,CHEMBL3094426
+COc1cc(-c2nc(C)c(C(=O)N(C)C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220173
+Cc1oc(-c2ccccc2)nc1CCCCCCOC(C)(C)C(=O)O,CHEMBL401811
+C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,CHEMBL1236070
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(=O)O)cc2Br)ccc1O,CHEMBL440975
+NS(=O)(=O)[C@@H]1CCC[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018056
+N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL1624
+CCCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933824
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(F)(F)F)cc1[N+](=O)[O-],bindingdb_1143373
+Oc1ccc2c(c1)CCCC(c1ccc3ocnc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402423
+N#Cc1cccc(S(=O)(=O)C2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)c1,bindingdb_654475
+CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2ccc3c(c2)OCO3)cc1,bindingdb_654292
+CC(C)c1nn(C)cc1C1c2nnnn2CCN1Cc1cccs1,bindingdb_650559
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCC(=O)NC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54968
+CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1,CHEMBL2331773
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2,CHEMBL1507012
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N/O,CHEMBL413047
+CCc1ccc2cc3c(cc2n1)C(=O)c1ccccc1-3,bindingdb_672406
+CCn1c(Oc2ccc(C(F)(F)F)cc2)nc2cc(C(=O)N[C@@H](CN(C)C)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127486
+C[C@@H](C(=O)N(C)C)N(CC(F)(F)F)c1ccc(C#N)c(C(F)(F)F)c1,3g8o
+CCCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1C,CHEMBL250287
+CCC(=O)c1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL360338
+Cc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1,CHEMBL275850
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(C(F)(F)C(=O)O)cc2)c1,bindingdb_757577
+CCN(CC)CCOc1ccc(Oc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL4165622
+C[C@@H](COc1ccc([C@H]2c3ccc(O)cc3CC[C@H]2c2ccccc2)cc1)N1CC[C@@H](CF)C1,bindingdb_961265
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(F)cc2)cc1O,CHEMBL2031860
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCO)C2)cc1,CHEMBL270568
+CNS(=O)(=O)c1cc(N2CCN(c3ncc(C(C)=O)c(C(F)(F)F)n3)[C@H](c3ccc(F)cc3)C2)ccc1F,bindingdb_1130773
+Cc1cccc(C(=O)c2ccccc2NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c1,CHEMBL150215
+Cc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1C,CHEMBL3623112
+CCNC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1,bindingdb_653260
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3O)c2)c(Br)c1,CHEMBL235166
+O=C(O)c1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404073
+O=C(CSC1=NCCS1)Nc1ccnc2ccccc12,bindingdb_760385
+COc1ccc(-c2cc3ccccc3cn2)cc1,bindingdb_999807
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CC[C@H](C(=O)O)[C@H](C)C3)c1Cl)n2C,bindingdb_206485
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1,CHEMBL372780
+CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCC2,CHEMBL1396046
+CON1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210910
+Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CCC(C)C3)c1C,bindingdb_672533
+CC(=O)N1CCN(C(=O)N2C[C@@H](Cc3ccccc3)[C@H](c3ccc(-c4c(F)cccc4F)cc3)C2)CC1,bindingdb_648884
+N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998194
+C[C@@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL361005
+CC(C)(C)c1cc(-c2nc3ccc(O)cc3o2)ccc1O,CHEMBL187671
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC3(C#N)CC3)c3ccccc23)s1,CHEMBL4128262
+Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1,DB14034
+Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OCCO3)C(C)(C)C)c1,DB07929
+C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1649686
+CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1,bindingdb_831575
+COC1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_646437
+COc1ccc(F)cc1-c1c(-c2ccccc2)[nH]c2c(NS(C)(=O)=O)cccc12,CHEMBL3605928
+CS(=O)(=O)c1ccc(-c2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1[N+](=O)[O-],CHEMBL2070234
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(C)(CO)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263570
+C=C1CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]2/C1=C/C=C1/C[C@@H](O)C[C@H](O)[C@H]1C,CHEMBL3593367
+CC(O)(CO)c1nnc(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)o1,bindingdb_645136
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)cc1O,bindingdb_998314
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)cc1,bindingdb_650704
+CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1,CHEMBL357824
+CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)Cc1ccc(Cl)cc1Cl,bindingdb_292555
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@H](C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1182837
+CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(=O)O)c(Cl)c2Cl)ccc1O,CHEMBL2035876
+CCCN(C)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_647004
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(Cl)c1,bindingdb_402586
+O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1448985
+CCN(CC)C(=O)c1nc(C(=O)NC[C@@H](C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_646057
+Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc1Oc1ccc(OC(C)(C)C(=O)O)c(C)c1,CHEMBL237307
+O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1,CHEMBL2441110
+COc1cccc2c1-c1ccccc1C(c1ccccc1)O2,CHEMBL63422
+COc1nc2ccc(C(O)(c3ccc(F)cc3)c3cn(C)cn3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183424
+Cn1nc(C(F)(F)F)c2c1CCN(C(=O)C1CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C1)C2,bindingdb_651542
+CC(=O)N1CCC(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,bindingdb_653621
+O=C(O)c1ncc(OCC23CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)(CC2)CC3)c2ccccc12,bindingdb_1018905
+COc1cc(-c2nc3c(s2)CCCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219617
+C/C(=N/OCc1ccc(F)cc1)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL230304
+O=C1C(=CNc2ccccc2)C(=O)c2ccccc21,bindingdb_999847
+CCOc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1,bindingdb_55589
+CCCCN(Cc1cccc(CCO)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL494471
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Cc4ccc(O)c(N)c4)cc3)O[C@]12C(=O)CO,bindingdb_17464
+CCN(CC)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3ccccc23)cc1,CHEMBL4172909
+COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC,CHEMBL1381627
+COc1cccc2c(O)c(C(=O)NCc3cccs3)cnc12,bindingdb_982711
+COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,bindingdb_55693
+Cc1cccc(C(N)=NOC(=O)c2cccs2)c1,bindingdb_999993
+CN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1,CHEMBL4243271
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1,CHEMBL3617304
+O=C(C[C@@H](O)C(F)(F)F)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649512
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(CCc2cccc(O)c2)cc1,CHEMBL572477
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653091
+CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CC1CCCCC1,CHEMBL3774702
+CC(O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,CHEMBL3673677
+Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)c(C)n1,bindingdb_648549
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccccc3O)c1)CCC2,CHEMBL2312273
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccncc4)c(C(F)(F)F)c3)C2=S)ccc(C#N)c1Cl,bindingdb_511818
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)[C@@H](c3ccccc3)C2)c1,bindingdb_1004713
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018220
+CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12,CHEMBL3403708
+CC(C)c1cccc(-c2cc(Oc3c(Cl)cc(CC(=O)O)cc3Cl)ccc2O)c1,CHEMBL393489
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3C[C@@H]4[C@H](C3)[C@H]4C(=O)O)c1Cl)n2C,bindingdb_646503
+C[C@@H]1CN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC[C@@H]1C(=O)O,bindingdb_648188
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2ccc3ncccc3c2)c(C)c1,CHEMBL3261172
+COc1cnc(-n2cnc(CCS(C)(=O)=O)n2)nc1[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_650034
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OCCSC)ccc1OCc1ccccc1,CHEMBL2385730
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270835
+CCC(=O)Nc1nnc(SCC(=O)NCCc2ccc(OC)c(OC)c2)s1,bindingdb_1712
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC3CC(F)(F)C3(F)F)ccc2O1,bindingdb_646934
+O=C1C=C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2(Cc2ccccc2)CC1,CHEMBL247049
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3COC3)cc2C1=O,bindingdb_1127557
+COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1,bindingdb_654517
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(Oc3ccc(Cl)cc3)c(Cl)c2c1,bindingdb_645535
+Cc1nn(C2CCN(C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168548
+Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3Cl)s2)c(Cl)c1,CHEMBL2332579
+Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)C1CC1,CHEMBL3643675
+CN(CC(F)(F)F)S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648489
+COc1ccc([C@H](C(=O)Nc2cc(F)c([Si](C)(C)C)c(F)c2)N(C)C(=O)c2cc(O)no2)cc1,CHEMBL4213410
+COCCOc1cccc(Cn2nc(C)c3cc(C(=O)N4CCN(c5ccc(C(C)=O)cn5)[C@H](C)C4)sc32)c1,CHEMBL4093786
+Cn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183757
+CN(CC(=O)N1CCC(c2ccccc2)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349030
+C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O,CHEMBL138544
+CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1,CHEMBL197589
+COc1ccc(NCCNc2ccc(OC)cc2)cc1,bindingdb_112216
+O=C(N(CC12CCC(c3noc(C(F)F)n3)(CC1)CC2)c1cccc(-c2cnc(C(F)(F)F)nc2)c1)C12CC(F)(C1)C2,bindingdb_1017711
+COc1ccc(-c2c(Oc3ccc(OCCN4CCCCC4)cc3)c3ccc(OC)cc3oc2=O)cc1,CHEMBL4162192
+COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)N3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126838
+CCn1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(F)(F)C3)c2)oc1=O,bindingdb_1018594
+CC(C)(C)OC(=O)c1c(COc2ccc(-c3cccc(CC(=O)O)c3)cc2)ccc(C(F)(F)F)c1O,CHEMBL3609572
+CCOc1nc2ccc(C(O)(c3ccc(OC)nc3)c3cncs3)cc2c(Cl)c1Cc1ccccc1,bindingdb_1183618
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CCS(=O)(=O)CC1,bindingdb_648334
+O=C(N(CC12CCC(c3noc(C4(C(F)(F)F)CC4)n3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1)C12CC(F)(C1)C2,bindingdb_1018339
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)ccc3F)cc21,CHEMBL4164769
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1cnc(NCCOCC(F)(F)F)cc1OC,bindingdb_1183298
+Cc1[nH]nc(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1,CHEMBL3337723
+C[C@]12CCC(=O)O[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)CC[C@@H]12,CHEMBL4076351
+CCc1ccc(C2CC(c3ccco3)=NN2S(C)(=O)=O)cc1,bindingdb_1000028
+CC(C)c1ccc2oc(-c3cc(N)ccc3O)nc2c1,bindingdb_45561
+N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1Cl,CHEMBL1215331
+COc1cccc(C(=O)Cn2c(=N)n(C)c3ccccc32)c1,bindingdb_672620
+COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C)cc1)C2,CHEMBL270668
+O=C(O)c1cc(C(F)(F)F)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2c1,bindingdb_1017933
+Nc1ccccc1-n1nc2ccc3ccccc3c2n1,bindingdb_672631
+COc1cc(O)c(C(CC(=O)N2CCC(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2312118
+CN(C)C(=O)c1ccc2c(c1)c(Nc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3915908
+COc1nc2ccc([C@@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C,bindingdb_651864
+C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CC[C@@]1(O)c1ccc(C(=O)N(C)C)nc1,CHEMBL2337514
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCCC(=O)O)cc3)C[C@@]21C,CHEMBL510869
+CN(Cc1cccc(C#N)c1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988790
+CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270703
+CCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL501440
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2NCCC3)c(F)c1,bindingdb_647211
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnn(CC(F)F)c2)c1)C12CC(F)(C1)C2,bindingdb_1017393
+CCCCCOc1ncccc1C(O)C/C=C/CCCC(=O)O,CHEMBL1206076
+O=C1c2ccc(O)cc2C(=O)N1c1ccccc1,CHEMBL276030
+Cc1cc(C)nc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_999809
+CC(C)n1nc(CC(N)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1,CHEMBL3598252
+O=C(O)c1ccc(-c2nn(C(=O)c3ccccn3)c3ccccc23)c(F)c1,bindingdb_54999
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2Cc2cccnc2)c2ccccc12,bindingdb_653895
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CS(=O)(=O)C3)nc2CC2CCCCC2)cc1C(C)(C)O,bindingdb_649650
+CC(C)C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)c(O)c4)cc23)CC1,bindingdb_651631
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(NCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_401967
+CCc1ccccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1,CHEMBL2204041
+O=C1CCC(=C2C[C@@H]3[C@H](C2)[C@@H]2C[C@H]3[C@H](O)C2)CC1,CHEMBL141244
+CN(Cc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F,CHEMBL1209173
+OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1,bindingdb_539995
+N#CCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,bindingdb_982707
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3cccc(Cl)c3)c1)CCC2,CHEMBL2312271
+O=C(O)Cc1ccc2cc(CCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)oc2c1,CHEMBL584566
+Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(CCC(=O)O)cc1,CHEMBL39687
+O=S(=O)(c1ccccc1F)N1CCSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL4207135
+COc1ccc(-c2noc(C34CCC(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)(CC3)CC4)n2)cc1C(=O)O,bindingdb_1018455
+COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1,bindingdb_100109
+CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1,bindingdb_257879
+CCC(C(=O)O)C1CCc2cc(OCCNC(=O)Nc3ccc(C)cc3)ccc21,CHEMBL426108
+Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4229273
+O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc2c(F)c(F)c(F)c(F)c12,bindingdb_584005
+CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,bindingdb_1074223
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(S(C)(=O)=O)cc2)cc1,CHEMBL3991091
+CC[C@@H](O)Cn1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_650607
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/Br)Oc1ccc(F)cc1-3,CHEMBL62700
+Cn1c(C#N)ccc1-c1ccc(C(=O)C(C)(C)C)cc1,CHEMBL1209236
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(C)(F)F,bindingdb_1183712
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1)C(=O)O,CHEMBL76676
+CC(C)(O)c1noc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(O)(C(F)(F)F)C3)c2)n1,bindingdb_1018011
+CC(C)[C@@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1c1cc(C(F)(F)F)ccn1,bindingdb_1000166
+CCc1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)nn1CC(=O)O,bindingdb_1017641
+C[C@H](NC(=O)c1cc(-c2sc(C(=O)NCC(C)(C)c3noc(=O)[nH]3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F,bindingdb_645636
+CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2ccccc21,CHEMBL3098771
+Oc1cc2c(cc1Cl)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc3[nH]ccc3c1)CCO2,bindingdb_402055
+O=C(Nc1cccc2cccc(NC(=O)c3ccco3)c12)c1ccco1,CHEMBL1447732
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)c(F)c3)C[C@@]21C,bindingdb_168453
+O=C(NCCO)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649968
+NC(=O)CN1CC[C@](O)(CNc2ncnc(N(Cc3ccccc3F)C3CC3)c2F)[C@@H](O)C1,bindingdb_100384
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@H](C)c2ccc(Cl)cn2)[C@H]3C(C)C)cc1,bindingdb_270831
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@H]3C[C@@H]2C[C@@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017635
+CCCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183688
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)nc(-c4ccncc4)c3CC[C@H]12,bindingdb_653398
+O=C(O)c1cccc(COc2ccccc2Cl)c1,bindingdb_760334
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCCN3CCCCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL604335
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(Cl)c3)cc21,CHEMBL4300320
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccccc2F)s1,CHEMBL2381198
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2)cc1)C(=O)O,CHEMBL246485
+Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)c(=N)n(Cc4cccnc4)c3nc12,CHEMBL1578543
+CS(=O)(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_650144
+O=C(O)c1cc(OCC23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)OC3)cc(C(F)(F)F)c1,bindingdb_1018460
+COc1cc(CNC(=O)C2(Cc3ccccc3)CCN(Cc3ccccc3)C2)cc(OC)c1,CHEMBL2407655
+CC(=O)Oc1ccc(-n2cnc3cc(OC(C)=O)cc(OC(C)=O)c3c2=S)cc1,bindingdb_1016175
+Cc1cc(=O)[nH]c(N=NCc2ccc(Br)s2)n1,bindingdb_91308
+O=C(O)c1ccc([N+]2([O-])C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018834
+Cc1cccc(-c2ccc3c(c2)C(C)(C)C/C3=N\O)c1,CHEMBL565274
+O=C(O)COc1ccc(OCCCOc2cccc(Cl)c2)cc1F,CHEMBL4295200
+O=C(O)Cc1coc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12,CHEMBL393766
+O=C(O)c1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc2[nH]ccc12,bindingdb_1018191
+O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F,bindingdb_760344
+CCn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2c(C)cc(C(F)(F)F)cc21,bindingdb_206589
+CC1(O)CCN(C(=O)[C@H]2C[C@]2(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_652554
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4ccccc4O)noc3C3CC3)sc2c1,bindingdb_1019058
+Cc1cccc(Cl)c1-c1noc(C2(F)CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)O)c(F)c1,bindingdb_1019036
+Cc1c(O)c(Cl)cc2c1c(=O)oc1c(Cl)c(O)ccc12,CHEMBL203340
+O=S(=O)(Oc1ccc(Cl)cc1)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4205171
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1F,CHEMBL3632715
+O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL4101596
+C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2C[C@@H]3C(n4cnnc4)[C@@H]3C2)cc1F,bindingdb_646257
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)c(F)c1)=C2c1ncc(O[C@H]2CCN(CCCF)C2)cn1,bindingdb_17641
+C[C@@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL180995
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1cc(F)c([N+](=O)[O-])cc1C3,CHEMBL330527
+CC(C)S(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054332
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cc(-c5ccc6[nH]c(=O)oc6c5)ccn4)(CC2)CC3)no1,bindingdb_1018676
+COc1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)ccc1C(=O)O,bindingdb_1017832
+Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002157
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646338
+C[C@]12C[C@H](c3ccc(OCCOCCOCCN=[N+]=[N-])cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2036418
+CC(C)CN(Cc1ccc(N2CC3(CCOC3)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647928
+O=C(COC(=O)c1ccccc1)NCc1ccco1,CHEMBL1596516
+CCOc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccc(F)cc1,bindingdb_1184172
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](CO)N3CC(F)(F)F,CHEMBL436644
+CCOc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1,CHEMBL223748
+CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)cc1Cl,CHEMBL3808992
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CN2C(C)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183787
+C[C@@H](NC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1184345
+COC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1,bindingdb_757619
+CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334823
+CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)ccc32)ccc1O,CHEMBL3397333
+CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O,bindingdb_965568
+COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCc4ccccc4C3)ccc12,CHEMBL1389163
+Oc1ccc(-c2cocc2-c2ccc(O)cc2)cc1,CHEMBL2332587
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc(OC)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017535
+Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12,CHEMBL3678127
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL3765679
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC(O)C(F)(F)F,bindingdb_646687
+O/N=C/c1ccc(-c2ccccc2)c(-c2ccccc2)c1O,CHEMBL128654
+Cc1cc(-c2ccc3c(c2)CC(c2ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C3)ccn1,bindingdb_654134
+COc1ccc(C(=O)Nc2cnc3c(c(C4C5CC[C@H]4CN(C(=O)C(C)C)C5)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_649504
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183125
+N#CC1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(C#N)C1c1ccco1,bindingdb_831585
+O=C1Nc2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)c3cccc1c23,CHEMBL3234246
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(F)(F)F)cc12,CHEMBL3699400
+CC(O)(Cc1ccnc(NC(N)=O)c1)c1ccccc1,CHEMBL3643676
+CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1,bindingdb_760235
+COc1cccc(-c2nc(OC)c3ccccc3n2)c1,CHEMBL3822473
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc(Cl)cc2)[C@H]3C(C)C)nc1,bindingdb_271061
+CCCc1c(OCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL173828
+O=C1C(=O)c2ccccc2-c2ccccc21,bindingdb_953776
+C[C@H](O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965550
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(OC)c1,bindingdb_402068
+COc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC,CHEMBL1585598
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3CC2CCOCC2)cc1,bindingdb_270860
+O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(C5CCC6(CC5)CC6)noc3C3CC3)C4)sc2c1,bindingdb_1017702
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1,CHEMBL444889
+C[C@H](CF)CN1C(c2ccc(/C=C/C(=O)O)cc2)c2[nH]c3ccccc3c2CC1(C)C,bindingdb_402801
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)(C)c3ccccc3)cc12,CHEMBL3695782
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(N)(=O)=O)c2)cc1,CHEMBL4228522
+COc1cccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(OCc3ccccc3)c(OC)c2)c1,CHEMBL2385724
+Cc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C,bindingdb_982712
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)ccc1OC)C2,bindingdb_100104
+O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)cc1O,bindingdb_653683
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2C[C@@H](O)[C@H](F)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183331
+C[C@H](NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CCC1,bindingdb_650768
+CC(C)[C@H]1c2ncc(C(=O)NC(CO)c3ccc(Br)cc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127439
+CC(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,bindingdb_672510
+COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c(C#N)cccc32)cc1,CHEMBL3238282
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)ccc1Cl,bindingdb_401153
+CN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,bindingdb_584402
+Cc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3(F)CC3)C4)nc12,bindingdb_1018524
+O=C(Nc1ccccc1)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1,bindingdb_846302
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2,CHEMBL1625260
+COc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccccc3C)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1,CHEMBL217962
+Cc1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(F)cccc4Cl)noc3C3CC3)nc12,bindingdb_1017862
+CC(=O)NCCC(=O)NCCCN(C)CCCNC(=S)NCCSCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL563916
+c1ccc(-c2noc(-c3cccc4ccccc34)n2)nc1,bindingdb_999877
+CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC,bindingdb_122673
+Oc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050102
+CC1OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419306
+CCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(=O)(=O)c2c(C)noc2C)cc1,bindingdb_69038
+O=C(O)Cc1cccc2c(OCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12,CHEMBL404265
+COc1cc2oc(=O)ccc2cc1-c1ccc(N(C)C)cc1,CHEMBL1835823
+O=C(O)Cc1csc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,CHEMBL234589
+CS(=O)(=O)c1cc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@H](c3ccccc3)C2)ccc1CCO,bindingdb_1143207
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@@H]2CCCCC2(F)F)cc1C(F)(F)F,bindingdb_1182869
+O=C1COc2cc(C(=O)N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)ccc2N1,bindingdb_646515
+O=C(O)c1cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(Cl)n1,bindingdb_1018800
+O=C(NCc1ccncc1)[C@@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12,bindingdb_646007
+O=C(O)c1cncc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1017398
+CCCc1nc(C(=O)NC2CCS(=O)(=O)CC2)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12,bindingdb_652926
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N3CC4(CCO4)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183034
+O=C(O)c1ccc(-c2nc(C(=O)c3c(F)cccc3F)n3c2CCCC3)c(F)c1,bindingdb_998360
+O=C(N1CCc2ccc(O)cc2C1)C(F)(F)F,CHEMBL1615275
+CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CC4CCC3C4)C2=S)CN1,CHEMBL4064439
+C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)=C2c1ccccc1,CHEMBL4291058
+COc1ccccc1C1C=C(c2ccc(Br)cc2)Nc2nc(NS(C)(=O)=O)nn21,CHEMBL1429363
+O=C(CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1)NS(=O)(=O)C1CCOCC1,bindingdb_1017564
+CC1(C)[C@H]2CC[C@]1(CN(CC(F)F)C(=O)c1ccc(=O)[nH]c1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651510
+CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)O,CHEMBL482952
+Oc1ccc2c(c1)CCCC(c1ccc(N3CCOCC3)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403031
+CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O,CHEMBL33778
+CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1,CHEMBL378068
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C)cc1,bindingdb_646299
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc12,CHEMBL3699419
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,bindingdb_649107
+Cc1c(OCCNCCCF)cccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403687
+O=C1CCC2(Cc3ccc(Cl)cc3)Cc3cc(O)ccc3C2=C1c1ccc(OCCN2CCCCC2)cc1,CHEMBL209530
+Cc1ccc2[nH]c(CCN(C)C)c(CN3CCOCC3)c2c1,bindingdb_953848
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCOC3)c(F)c1,bindingdb_646800
+CCN(CC)C(=O)c1nc(C(=O)N2CC(O)(C(C)(C)O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_645647
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ncc(C2CC2)cn1,bindingdb_1130803
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nccc2ccccc12,CHEMBL1940690
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1,CHEMBL2426152
+COc1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1,CHEMBL1523808
+C/C=C(\C)C(=O)c1ccc(CCCCCCC)cc1,CHEMBL237820
+Cn1ccc(S(=O)(=O)N2CC[C@H]3Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)n1,CHEMBL4075952
+Cc1cc(SCc2nc(-c3ccc(Cl)cc3Cl)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL408941
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccccc12)C(=O)O,CHEMBL521170
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(=N)(=O)CC)c2)cc1,CHEMBL4225020
+CCCCc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)C(S)=N2,CHEMBL27052
+Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nc2n1,bindingdb_760401
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(O)cc3)C[C@@]21C,CHEMBL490087
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(C(C)=O)cc21,CHEMBL199339
+O=C(O)CCCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018842
+Oc1cccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1,CHEMBL1524927
+O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)CC3)sc2c1,CHEMBL4103649
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)Nc2ccc(C)cc2)c1,CHEMBL4161709
+CC/C(=C\c1ccc(Oc2c(-c3ccccc3C(C)C)sc3cc(O)ccc23)cc1)C(=O)O,bindingdb_400895
+Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3ccnc4c(C#N)cccc34)CC2)no1,bindingdb_476113
+O=C(O)c1cc(F)c2nc(OCC34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1018389
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)ccc(O)c3F)cc12,bindingdb_652872
+O=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1,CHEMBL106590
+COC(=O)C1CN(c2cc(F)c(CN3C(C)CCC(c4ccccc4)S3(=O)=O)cc2F)CCC1n1cnnc1,bindingdb_651972
+CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_108443
+O=C(NN=Cc1ccc(O)cc1)c1csc2ccccc12,bindingdb_112260
+O=C(CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC(O)CC1,bindingdb_654991
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1Cl,CHEMBL558297
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1CCc1ccccc1,CHEMBL574310
+O=C1NCC2(CCN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)C2)O1,bindingdb_654419
+C[C@H]1CC(C(=O)O)CC[C@H]1C(=O)N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_648939
+CC1(O)CCN(C(=O)[C@H]2CC[C@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@H]23)CC1,bindingdb_646178
+COC(=O)CCc1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1,CHEMBL521811
+CC(=O)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C,CHEMBL3613425
+O=C(O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393179
+CCC1(CC(O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21,CHEMBL238147
+Oc1ccc2c(c1)CCCC(c1ccc(O)nc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_404151
+O=C(O)[C@@H]1CCC[C@H](OCC23CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)(CC2)CC3)C1,bindingdb_1018039
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@@H](O)C(F)F)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646285
+O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651917
+C/C(=C\c1ncc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL328481
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@H]1Cc1ccccc1,bindingdb_999789
+CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cc(C(=O)O)oc1C,CHEMBL4094117
+N#Cc1ccc(N2C(=O)[C@]3(CCOC3)N(c3ccc(C(N)=O)c(F)c3)C2=S)cc1C(F)(F)F,CHEMBL3589385
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O,CHEMBL286452
+CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(N)=O)cc2)c1-c1ccccc1,CHEMBL363630
+CCc1cc(OCCc2nc(-c3ccc(C)cc3)oc2C)ccc1CCC(=O)O,bindingdb_988702
+Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL389766
+CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1C)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL249872
+COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042802
+CCCC1Sc2ccccc2N1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3984220
+CC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)nc2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3263711
+CC(C)c1oc(-c2ccc(Cl)cc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778837
+CC(C)(F)CN1C(c2ccc(/C=C/C(=O)O)cc2)c2[nH]c3ccccc3c2CC1(C)C,bindingdb_403679
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N3CC(S(C)(=O)=O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182789
+C[C@H](NC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1184276
+Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3cc(Br)ccc3n2)cc1,bindingdb_953851
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646862
+CC(C)(C)c1cc(Oc2c(Cl)cc(Nc3c(O)c(=O)c3=O)cc2Cl)ccc1O,CHEMBL480313
+CCNc1ccccc1Cc1n[nH]c(=O)c2ccccc12,CHEMBL3622584
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3C[C@H]4C[C@@H]3CO4)c(S(C)(=N)=O)c2)cc1,bindingdb_652755
+Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765171
+CC/C(=C(/c1ccc(/C=C/C(=O)O)c(C)c1)c1ccc2[nH]ncc2c1)c1ccccc1,CHEMBL3581644
+CCN(CC)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3cc(OC)ccc23)cc1,CHEMBL4168461
+O=C(NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)c1ccncc1,bindingdb_649316
+C[C@@H](C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@H]1C(=O)O,CHEMBL3138059
+CN(C)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL1910411
+O=C(O)c1cc(/C=C/c2ccc(N3CCOCC3)cc2)nc2ccccc12,bindingdb_55663
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C#N)c1)C[C@H](CNS(C)(=O)=O)O2,bindingdb_653432
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CHEMBL426327
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)C1CCC(C)(O)CC1,bindingdb_1143350
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CF,bindingdb_400948
+OC1(C(F)(F)F)CCCc2c1[nH]c1ccc(F)c(Cl)c21,CHEMBL3682513
+Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1076175
+COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)nc(C)n1,CHEMBL3914727
+O=S(=O)(Nc1cc(C(F)(F)F)c(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl,CHEMBL2338478
+CCCC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2=O,CHEMBL425439
+O=C(O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCSc3cc(F)ccc32)cc1,CHEMBL4224880
+CCn1c2c(c3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cc4)ccc31)CCC2,CHEMBL4207358
+CCOC(=O)[C@H](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652892
+Nc1cc(-c2nnn[nH]2)ccc1F,bindingdb_831186
+COc1ccc(Oc2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)cc1,CHEMBL2037316
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(=O)O)cc2Br)ccc1O,CHEMBL391367
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3nnc(CS(=O)(=O)C4CC4)[nH]3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649159
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(O[C@H]3C[C@@H](C(=O)O)C3)c1Cl)n2C,bindingdb_206242
+CC(C)(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965547
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(CCc2ccc(O)cc2)cc1,CHEMBL577580
+CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCN(C(C)=O)CC4)ccc1c23,CHEMBL3234252
+CC/C(=C(/c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1,CHEMBL3422051
+CC1(C)CN(Cc2cccnc2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830948
+Cc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1,bindingdb_672372
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(CCS(N)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653330
+O=C(O)c1cnc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c(F)c1,bindingdb_1017511
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401214
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645285
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCc2nnn[nH]2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184358
+O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)cc1F,CHEMBL4094497
+C[C@H](CC(=O)[C@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O,CHEMBL3632941
+CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2c(c1)OC(CC)(C(=O)O)CC2,CHEMBL111271
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(/C=N/O)cc1,CHEMBL3397549
+CCCc1cc(-c2nc(OCC)c(C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL373791
+CN(Cc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F,CHEMBL1209170
+COc1ccc2c(-n3c(=O)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4ccccc43)noc2c1,CHEMBL1947146
+O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,bindingdb_112062
+CN(C)C(=O)/C=C/c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]32)cc1,CHEMBL1627356
+O=C(Cc1c(-c2c(Cl)cccc2Cl)noc1C1CC1)O[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc2c(F)cc(C(=O)O)cc2s1,bindingdb_1018061
+COc1cccc2c1-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL99046
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CC3CC3[C@H]2CO)cc1)c1ccccc1,bindingdb_692093
+CCc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1,CHEMBL4284250
+CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(CCO)CC2)n1,CHEMBL347560
+O=C(c1ccc(F)cc1C(F)(F)F)N(c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1,CHEMBL3645269
+CCN(C(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl)c1ccc(Cl)cc1,bindingdb_18618
+COc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl,bindingdb_356259
+Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL221641
+COc1nc(NCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F,bindingdb_403803
+O=C(CCS(=O)(=O)c1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1,bindingdb_55536
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL385585
+C=CC[C@H](O)C1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL583629
+CCN(CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12,bindingdb_672619
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC(F)(F)F,CHEMBL227783
+CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL243789
+CC1CN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)CCO1,bindingdb_649846
+CC1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(Cl)c23)CC1,bindingdb_647854
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,CHEMBL1164379
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1,CHEMBL1163617
+O=C(O)CC1COc2cc(OCCCOc3ccccc3F)ccc21,CHEMBL4284723
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC2(C(F)(F)F)CC2)cc1OC,bindingdb_1183350
+CCOC(=O)CN1C(=O)SC(Cc2ccc(N)cc2)C1=O,CHEMBL2263566
+Clc1ccc(CSc2nc3ccncc3[nH]2)cc1,bindingdb_1000184
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc([N+]2([O-])CCC(n3cnnc3)CC2)cc1F,bindingdb_649409
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4128926
+CC(C)[C@H]1c2ncc(C(=O)NCC(c3cccnc3)N3CCOCC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123885
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_653628
+Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)cc1,CHEMBL3695900
+Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657161
+CCCONC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647921
+CC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1,bindingdb_760356
+CN(C)CCNC(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_649703
+O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(-c3nnn[nH]3)cc2)nc2ccccc21,bindingdb_846263
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)/C(=C/c5cnc(-c6ccccn6)nc5)C[C@H]4[C@@H]3CC[C@@H]12,CHEMBL562394
+CN(C)c1ccccc1Cc1n[nH]c(=O)c2ccccc12,CHEMBL3622585
+COc1cc(C2c3c(c(O)n(-c4ccccc4)c3O)ON2c2ccccc2)ccc1O,bindingdb_100105
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCN(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699436
+Cc1nn(C2CCN(C(C)C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417731
+CC(C)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361056
+OCc1ccc(Oc2cccc(-c3c(-c4ccccc4)cnc4c(Cl)cccc34)c2)cc1,CHEMBL596262
+Cc1cc(Br)c2nc3c(c(C(=O)O)c2c1)CCCCC3,CHEMBL1499411
+CS(=O)(=O)c1ccc(-c2ncc(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-],CHEMBL2070099
+CN1CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)C1,bindingdb_646706
+Cc1c(O)ccc2c1oc(=O)c1c(O)c(O)ccc12,CHEMBL204819
+COC(=O)c1cccc(Cl)c1Cn1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_652088
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)C3COc4ccccc4O3)cc12,CHEMBL3699359
+Cc1cc(-c2onc(C)c2C(=O)Sc2ccccc2)no1,CHEMBL3632931
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1ccc(N(C)C)cc1,bindingdb_653344
+O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccc(F)cc1,CHEMBL1336910
+O=S(=O)(Oc1cccc2ccccc12)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4218543
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640897
+CC(C)[C@@H](C)Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1,bindingdb_1184156
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCOCC2)c(Cl)c1,CHEMBL563816
+COCc1nc(-c2ccc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)no1,CHEMBL253490
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)Cc1cc(F)ccc1F,bindingdb_653966
+Nc1ccccc1C(=O)c1cn(-c2cccc(C(=O)O)c2)nn1,CHEMBL2381367
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccc(OCCCCCCP(=O)(O)O)cc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_417638
+CNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596600
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cnc(OCCNCCCF)c2Cl)N1C[C@H](C)C(=O)O,bindingdb_400921
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCC(C)(C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263667
+Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1,CHEMBL604701
+O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3ncccc32)cc1,CHEMBL3956929
+O=C(NC1CCCCC1)C(C1CCOCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21,CHEMBL1642351
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(C)=O)cc3)C[C@@]21C,CHEMBL364368
+CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@@H]2S1,CHEMBL4110677
+CCc1cc(C(C)=O)c(OCC2CCCCC2)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114115
+C=C(C)c1cnc(N2CCN(c3ccc(CO)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130741
+CCN1CCN(C(c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1,CHEMBL1363249
+Cc1cc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(C)c1,CHEMBL1392628
+Oc1ccc2c(c1)OCCC(c1ccc3cc[nH]c3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403097
+O=C(N[C@H]1CC[C@H](Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1,bindingdb_475750
+Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643194
+O=C(c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCCC1,CHEMBL502579
+O/N=C/c1ccc(-c2ccccc2)c(-c2ccccc2)c1,CHEMBL335465
+CCO/N=C(/C)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_645323
+FC(F)(F)c1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(Cl)cc2)cc1,bindingdb_672454
+COc1cccc(C2SC(c3ccc(Cl)c(Cl)c3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC,CHEMBL389563
+Cc1ccc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cc1Cl,bindingdb_649809
+O=C(c1ccccc1)c1cnc(-c2ccc(Cl)cc2)s1,bindingdb_1026180
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC1(F)CC1,bindingdb_403291
+O=C(O)CCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,CHEMBL3622993
+CNc1cccc(Cc2ccc([C@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)c1,bindingdb_417528
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(C)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648684
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H](O)C(F)(F)F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647377
+COCC(C)(F)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_401994
+CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1,CHEMBL3775765
+CC(C)Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)cc1F,bindingdb_402721
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H](N1CCCC1=O)C2)c1c(Cl)cccc1Cl,bindingdb_998331
+CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)cc1F,CHEMBL4069539
+Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1,CHEMBL1500073
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_400944
+CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL485537
+COc1cccc(OC)c1S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccccc2)C1,CHEMBL392668
+N#Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL1086311
+COc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1,bindingdb_100145
+Cc1cc(CC(=O)O)cc(C)c1Oc1cc(C(C)C)c(=O)[nH]n1,CHEMBL3261318
+CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CC3CCC(C)CC3)C2=S)CN1,CHEMBL4094612
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccncc2)C1=O,CHEMBL2407858
+Cc1nc(-c2ccc(Cl)cc2)sc1CC(=O)NC1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934316
+COc1ccc(CCc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)cc1,CHEMBL574082
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCC3)nc2CC2CCC2)c2ccccc12,bindingdb_645098
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB00351
+O=C(Cc1cccs1)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1,CHEMBL1559715
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1Cl,bindingdb_402134
+O=C(N(CC12CCC(c3nc(C(F)F)no3)(CC1)CC2)c1cccc(-c2cnc(C(F)(F)F)nc2)c1)C12CC(F)(C1)C2,bindingdb_1018224
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1CC2,CHEMBL1561061
+Cc1cc(SCc2nsc(-c3ccc(Cl)c(Cl)c3)n2)ccc1OC(C)(C)C(=O)O,CHEMBL260494
+COC(=O)/C=C/c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C)c4)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1018359
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961329
+CCN(CC)CCOc1ccc(Cn2c3ccccc3c3sc4cc(O)ccc4c32)cc1,CHEMBL195991
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc([C@@H](C)OC)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270644
+CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O,CHEMBL1257453
+O=C(c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL178665
+Cn1c(=O)c2c(nc(NCc3ccco3)n2C/C=C/c2ccccc2)n(C)c1=O,bindingdb_760302
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-],CHEMBL2348917
+CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,6ilq
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc21,CHEMBL374234
+CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1,CHEMBL2331781
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(c2ncc([C@@H](C)O)c(C(F)(F)F)n2)[C@H]3C(C)C)cc1,bindingdb_1127450
+CC1(C)OC(S)=Nc2ccc(-c3cc(C#N)cc(C#N)c3)cc21,CHEMBL429056
+Cc1nn(C)c(C)c1NC(=O)COc1ccc(Cl)cc1Br,bindingdb_540003
+COC(=O)c1ccccc1NC(=O)c1ccnn1C,bindingdb_672371
+O=C(O)c1ccc(OC2COC2)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1017599
+C=C(C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)OC[C@@]21C,CHEMBL561460
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018163
+N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1,CHEMBL270976
+CCCCCCCCCCCCCCCCNS(=O)(=O)NCCC,CHEMBL387094
+CC(=O)NCc1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143210
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3C)c2Cl)cc1,bindingdb_168458
+COc1ccc(C(=O)Nc2cc(C)on2)cc1,bindingdb_982667
+COc1ccc(-c2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)cc1,CHEMBL2037189
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1,CHEMBL2426148
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H](CO)[C@@H](O)c1ccccc1,bindingdb_645260
+Cc1cc(-c2cccc3cc[nH]c23)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682419
+COc1nc2ccc([C@](O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_654912
+CC(C)(C)c1ccc(CCNC(=O)Cc2ccc(O)cc2)cc1,CHEMBL4211789
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@H](CNS(=O)(=O)C1CC1)O2,bindingdb_650727
+O=C(Cc1ccncc1)N[C@@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648741
+COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1,bindingdb_598453
+COc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@H](C)C(F)(F)F)CC4)cn3C)c2C)cc1C#N,bindingdb_646063
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C)c4)cc3)C(C)=O)nccc2c1,bindingdb_109220
+CCOC(=O)c1c(N)sc(=S)c2c1CCC2,CHEMBL3392035
+CCNC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL500678
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1ccncc1,CHEMBL4218494
+CC(C)(Sc1nc2cc(C#N)ccc2s1)C(=O)O,CHEMBL575111
+COc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1,bindingdb_982670
+O=C(O)c1cc(-c2nc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)no2)ccn1,bindingdb_1017879
+CC(C)(CCCOc1ccc(/C=C/c2ccsc2)cc1)C(=O)O,CHEMBL3752940
+O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c12,bindingdb_972723
+O=C(O)Cc1ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c2ccccc12,CHEMBL404469
+O=C1N(c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)C1(c1ccccc1)c1ccccc1,CHEMBL3360847
+CC12CC[C@@H]3c4ccc(O)cc4CCC3[C@@H]1CCC2O,bindingdb_1174230
+N#Cc1c(O)ccc2cc(-c3ccc(O)cc3)ccc12,CHEMBL364502
+C[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL420767
+C=CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059572
+CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc([N+](=O)[O-])ccc2N1,CHEMBL1910412
+Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1cccs1,CHEMBL1561092
+CCN(CC)c1ccc(/C=C2\C(=O)ON=C2C)cc1,CHEMBL480982
+COc1cc(C(=O)c2cccc(C)c2)c(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C,CHEMBL2087287
+CO[C@@H]1CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_646942
+OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL458899
+COc1ccc2nc(OC)c(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)cc2c1,bindingdb_1003733
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(c4ccccc4)CC3)CC2)cc1[N+](=O)[O-],CHEMBL2349048
+Cc1sc2ncnc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C,bindingdb_539787
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL605525
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)ccc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_402824
+Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)nc3)[nH]c2cc1C,bindingdb_953774
+C=C(CSc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL513749
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2cc(C)c(C#N)cn2)[C@H]3C(C)C)cc1,bindingdb_270813
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3Br)C2)c1,bindingdb_1000069
+O=C(CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1)NS(=O)(=O)C1CC1,bindingdb_1017661
+CC[C@H](NC(=O)c1ccc2c(ccn2S(=O)(=O)c2cccc3ccccc23)c1)c1ccccc1,4r06
+O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)c(F)c1,bindingdb_652221
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)[C@H](c3ccccc3)C2)c1,bindingdb_58952
+Oc1ccc(Cl)cc1C=Nc1nc2ccccc2[nH]1,bindingdb_108529
+Nc1ccccc1C=C1Cc2ccccc2C1=O,bindingdb_672489
+CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1,CHEMBL2331785
+CN1CCN(c2ncc(-c3ccc4c(n3)Oc3c(F)cccc3[C@@H]4C(C)(C)C(=O)NC(N)=O)cn2)CC1,bindingdb_1054324
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1,CHEMBL1089633
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(O[C@H]3CC[C@@H](C(=O)O)C3)c1Cl)n2C,bindingdb_646684
+CCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL385279
+CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1159650
+O=C1OCC2(CCN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)C2)O1,bindingdb_654709
+Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)s1,bindingdb_475997
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1c(F)cc(C[C@H](C)C(F)(F)F)cc1F,bindingdb_1184404
+CCSc1nnc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)s1,CHEMBL1388271
+Cc1ccnc(N2C[C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)[C@@H](C(=O)O)C2)n1,CHEMBL3398449
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NS(C)(=O)=O)cn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646354
+Cc1ccc(C2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(Cl)ccc23)cc1,bindingdb_950126
+CN(C)c1cccc(N2CCc3cc(O)ccc3C2(C)c2ccc(OCCN3CCCC3)cc2)c1,CHEMBL323119
+CCCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br,bindingdb_481610
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@](C)(c2ccc(OCCN3CC(CF)C3)cc2)N1CC1(F)COC1,bindingdb_402945
+COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)n1,bindingdb_109238
+CCC(=O)NCC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC(C)(C)C)ccc2O1,bindingdb_645770
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3n[nH]c(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651092
+CN(C)CCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1083186
+CS(=O)(=O)c1cccc(N2CCN(CC3CCN(CC(F)(F)F)CC3)[C@@H](c3ccccc3)C2)c1,bindingdb_999666
+Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1,bindingdb_1692
+COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1,CHEMBL189938
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1OCc1ccccc1,CHEMBL2385917
+O=C(Cc1nnn[nH]1)N[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651352
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183492
+CCCCCCOc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl,CHEMBL562584
+CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB06780
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1CC(F)(F)C1)O2)C(F)(F)F,bindingdb_650859
+N#Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657171
+CN(C)C(=O)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645615
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2Cc4ncsc4C2)C3)c(F)c1,bindingdb_651551
+Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1,CHEMBL534146
+COc1ccccc1OCc1nc2ccccc2[nH]1,bindingdb_112239
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)c(F)c1O,bindingdb_998179
+CCn1nc(C(=O)NC[C@]2(CO)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183501
+Cc1cc(C(F)(F)F)cc2nc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n(C)c12,bindingdb_652005
+COc1cccc(Oc2c(C(=O)O)n(-c3ccc(C(C)(C)C)cc3)c3nc(Cl)ccc23)c1,CHEMBL198493
+N#Cc1cccc(F)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCC(C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650104
+CC1(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CNC(=O)O1,bindingdb_653971
+Cc1ccc(F)c(-c2cc3c(nn2)[C@@]2(c4cccc(-n5cnc(CCS(C)(=O)=O)n5)n4)CC[C@@H]3C2(C)C)c1F,bindingdb_651868
+CCCNC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1,CHEMBL518033
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)c(Cl)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_647622
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc12,bindingdb_18629
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCCC#N)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650301
+COc1ccccc1C(=O)c1ccccc1NC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL147021
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2OC)c1,CHEMBL4159542
+CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NC,CHEMBL3706902
+Cc1ccnc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1,bindingdb_672671
+N#CC1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646153
+Brc1ccc(-c2nnc(-c3cccnc3)c3conc23)cc1,CHEMBL1613068
+O=C(NC1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_653812
+C=CCC1Oc2cccc(C#N)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8209
+CC(=O)Nc1nc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n(C(C)C)n1,CHEMBL3598078
+O=C(Cc1ccncc1)N1C[C@@H](Cc2cccc3ccccc23)[C@H](c2ccc(-c3c(F)cccc3F)cc2)C1,bindingdb_647153
+CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1,bindingdb_402182
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)CC1CCCCC1)O2)C(F)(F)F,bindingdb_652211
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(OC(F)F)c3)c2)c(Cl)c1,bindingdb_481625
+CN(Cc1cccnc1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_651014
+CC(=O)c1ccc(-c2ccc3oc(=O)ccc3c2)s1,CHEMBL3946665
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)cc1,bindingdb_649023
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2nc(-c3cccc(C(=O)O)c3)sc2c1,CHEMBL551344
+CN1CCOc2cc(S(=O)(=O)N3c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4CCC3CC(=O)NC[C@@H](F)C(C)(C)O)cnc21,bindingdb_646421
+Cc1cc(C)c(S(=O)(=O)NC(CNc2ccccc2)C(F)(F)F)c(C)c1,CHEMBL3093458
+O=C1CC(c2ccccc2O)Oc2ccc(O)cc21,CHEMBL485349
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNC(=O)[C@@H]2C[C@@H]2F)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_649551
+Cc1c(C)n(Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699391
+CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,DB11064
+Cc1cc(C(=O)O)ccc1-n1c(C)ccc1C,CHEMBL1559731
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)Nc4cncc(Cl)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017911
+O=C(O)CC(=O)N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_654656
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1,CHEMBL3990570
+COc1ccccc1Cc1n[nH]c(=O)c2ccccc12,CHEMBL3622574
+Cc1ccc2nc(-c3ccccn3)oc2c1,bindingdb_1000072
+CCCc1c(SC)c2ccc(NC(=O)C(CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL590984
+O=C(O)[C@@H]1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)CC1,bindingdb_648297
+N#CC1(c2cccc(Cl)c2C(=O)n2nc(C3=CCC(C(=O)O)CC3)c3c2COCC3)CC1,bindingdb_651809
+CC[C@@]12CCC(=O)C(Cl)=C1c1ccc3[nH]ncc3c1C2,CHEMBL425246
+COC(=O)/C=C/c1ccc(Oc2c(-c3ccccc3C(C)C)sc3cc(O)ccc23)cc1,bindingdb_403224
+N#Cc1c(N)nc(N)nc1Nc1ccc(Br)cc1,bindingdb_999756
+COc1cccc(-c2nc(SC)c3ccccc3n2)c1,CHEMBL3822867
+O=C(NCC1CCC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647901
+Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(/C=C/C(=O)N2CCCCC2)cc1,CHEMBL519599
+CC(C)OC(=O)C1CN(C(=O)C2CCCCC2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL579197
+CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2O1,bindingdb_998230
+O=C1c2ccc(O)cc2C(=O)N1c1cc(O)cc(O)c1,CHEMBL396946
+CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H]2CCOC2=O)O1,CHEMBL414449
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL373357
+c1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1,CHEMBL1542518
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1,CHEMBL179180
+COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356203
+CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC,CHEMBL197684
+C=CC(=O)c1ccc(CCCC)cc1,CHEMBL237823
+O=C(CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1)NO,CHEMBL3589369
+CC(C)OC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(Cl)cccc1Cl,6q6o
+Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3Cl)[se]2)c(Cl)c1,CHEMBL4279757
+CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(=O)O,CHEMBL561284
+Oc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c1,bindingdb_401782
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)c12,bindingdb_18653
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(NCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_402445
+CCc1c(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)nn(CC)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184046
+COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1OC,bindingdb_1026218
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCC5(CC4)CC5)cc3Cl)cc2O1,CHEMBL178909
+CCCCCCSc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,CHEMBL560369
+N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)OCC(=O)N3)[nH]1,CHEMBL489781
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cncc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647737
+CCOc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3ccco3)sc2c1,bindingdb_598256
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3cc(CC(C)(C)OC=O)ncn3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_647565
+CC(C)[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(C)(=O)=O)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CO1,bindingdb_270797
+CCn1c(SCC(=O)O)nnc1C1CCCCC1,bindingdb_112224
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCC(C)CC3)cc2)Oc2ccc(O)cc21,CHEMBL4176563
+O=S(=O)(Nc1cc(Cc2cc(NS(=O)(=O)c3ccccc3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)c1ccccc1,CHEMBL3891909
+N#Cc1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1,bindingdb_1018471
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401855
+Oc1ccc2c(c1)CCCC(C1CCC3(CC1)OCCO3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401537
+COc1cc(/C=C/c2ccc(OS(=O)(=O)C3CC4OC3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2)cc(OC)c1,CHEMBL4206281
+CCCCN(Cc1cc(Cl)c(O)c(OC)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL524014
+COc1cccc2c1/C(=C/c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_206220
+CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL602468
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-],CHEMBL2348879
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL1911272
+CCOC(=O)C1=CN(C(=O)c2cccc(F)c2)CC(C)(C)c2cn[nH]c21,bindingdb_1018940
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911270
+CN1CCN(OC(=O)N[C@@H]2C[C@]3(C)O[C@]2(C)[C@@H]2C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)[C@@H]23)CC1,CHEMBL3623122
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3c(OC)cc(OC)cc3OC)C[C@@]21C,CHEMBL373841
+COc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)ccc1OCCN1CCCCC1,CHEMBL3657174
+O=C(c1ccccc1)c1ccc2[nH]c(-c3cc4ccccc4[nH]3)nc2c1,CHEMBL4170939
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccn(CCC(N)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646185
+O=C(COc1ccc(Cl)cc1Cl)NC(=O)NC1CCCC1,bindingdb_69027
+COc1ccccc1C(=O)c1sccc1-c1ccnc(Cl)c1,CHEMBL4281036
+SC1=Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2C12CCCCC2,CHEMBL412874
+COc1cc(NCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_403613
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(CC(N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647427
+C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC,DB09389
+CCCCOC(=O)C(C)Oc1ccc(=O)n(-c2ccccc2)n1,bindingdb_100122
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)n3)cc12,CHEMBL3699414
+COc1cc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1F,bindingdb_650599
+Oc1ccc(C2=C(c3ccc(CBr)cc3)c3ccc(O)cc3C2)cc1,CHEMBL372526
+O=C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_646253
+Cc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)c(O)c2)c2n1CCCC2,bindingdb_998279
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CC(C)(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1,CHEMBL362759
+O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(N2CCCC2)cc1,CHEMBL480182
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3ccc(CCC(N)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_645998
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(CC)c2)c(-c2ccccn2)c1,CHEMBL241479
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccccn1,CHEMBL1940552
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN(C)CC(F)(F)F,bindingdb_654801
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3Cc3cccnc3)c2Cl)cc1,bindingdb_168584
+CO[C@@H]1CN(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC[C@@H]1n1cnnc1,bindingdb_651549
+CNC(=O)C[C@@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464415
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)cc(F)c3)cc21,CHEMBL4160935
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)nc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401628
+Cc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1164158
+CC1(c2nc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)no2)CC1,bindingdb_1018683
+CCc1nc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)(F)F)s1,bindingdb_647819
+COc1ccc(OC(COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)O)c(C)c2)cc1,CHEMBL397449
+CC/N=C1/C(c2ccc(O)cc2)=C(O)c2cc(O)cc(O)c21,CHEMBL190238
+C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,CHEMBL246341
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3c(F)cccc3F)cc21,CHEMBL4176058
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1ccc2c(c1)OCO2,bindingdb_654071
+CCCc1n[nH]c2c1C(C)(C)CN(C(=O)c1cccnc1)C=C2C(=O)OC(C)C,bindingdb_1017973
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)c2cccc(C#N)c2)cc1,bindingdb_270528
+CC(=O)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4076701
+Oc1ccccc1-c1cc(-c2ccccc2Cl)[nH]n1,bindingdb_672312
+CC1(C)CN(Cc2ccccc2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830789
+CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2,bindingdb_760418
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnc3sccn23)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654939
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CC(C)C(F)(F)F)cc1OC,bindingdb_1182909
+COc1cc(O)c(C(CC(=O)N2CCCCC2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL1518643
+CC(C)(Oc1cccc(CCN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL248117
+CCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21,CHEMBL385801
+CCCCN(C)C(=O)CCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL389631
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(=O)CC)c2)cc1,bindingdb_652844
+Cc1ccc(-c2nnc(Nc3ccccc3)o2)cc1,bindingdb_69071
+C[C@@]1(c2ccc(Sc3ccc(N)cc3)cc2)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_17507
+OC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1,bindingdb_651905
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NCc3cccnc3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL3666813
+Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657155
+O=C(O)CCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC1=S,bindingdb_598374
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc5ccccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263612
+COc1cc(C#N)cc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C)c1,bindingdb_645630
+C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CO2,CHEMBL120759
+CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL234819
+CCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL595483
+COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1O,CHEMBL1822155
+CC1(C)Nc2c(cc(-c3cccc4nccn34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582119
+C=C(C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(S(C)(=O)=O)cc3)OC[C@@]21C,CHEMBL561863
+CCN1CCC(CCn2cnc3c(Cl)c(C(=O)N(CC)c4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_18553
+COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F,CHEMBL1911543
+CCS(=O)(=O)c1ccc(C(NC(C)=O)C(=O)Nc2cc(-c3cccnc3OCc3ccccc3)cs2)cc1,CHEMBL4173908
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5cnc(C(F)(F)F)nc5)c4)(CC2)CC3)n1,bindingdb_1018767
+CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1,bindingdb_953780
+COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1,bindingdb_672452
+COc1cccc2c1-c1ccc3c(c1C(C1C=CCC1)O2)C(C)=CC(C)(C)N3,CHEMBL47463
+Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087419
+O=c1[nH][nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12,bindingdb_672547
+O=C(O)Cc1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,CHEMBL214719
+OC1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(F)cc21,CHEMBL1288981
+CCN(C[C@](O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl,CHEMBL1668063
+C/C=C/C(=O)Nc1ccc(CCCCCC)cc1,CHEMBL398107
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCc2cccnc2)c1C,CHEMBL502518
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)Cc4nc5c(C(=O)OC)cccc5o4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017758
+CC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL426592
+O=C(O)C1CC=C(c2nn(C(=O)c3c(C4CC4)ccc(F)c3Cl)c3c2CCC(C(=O)N2CCC4(CCN4)C2)C3)CC1,bindingdb_645232
+Cn1cc(C2CCN(C(=O)C3CCCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_645437
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(OC(F)(F)F)cc1Cl)CC2,bindingdb_17565
+CCC(Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094477
+Clc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)c1,bindingdb_55584
+C=C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@]2(C)O,CHEMBL204642
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCC2)cc1C(F)(F)F,bindingdb_1182868
+Cc1nc(N2N=C(c3ccc(C(=O)O)cc3)C[C@@H]2C2CCCC2)ccc1C#N,CHEMBL3263756
+CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COc2ccc(N)cc2)O1,bindingdb_168440
+Cc1nc(C)c(C(=O)Nc2nc3c(C)cccc3s2)o1,CHEMBL1300534
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4nc5c(s4)CCC5)cc3)ccc21,bindingdb_988743
+CCO[C@H](Cc1ccc(OC/C=C/C#Cc2ccc(C#C/C=C/COc3ccc(C[C@@H](OCC)C(=O)O)cc3)cc2)cc1)C(=O)O,CHEMBL2112993
+C[C@@H](COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1)N1CCCC1,CHEMBL197495
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(c1ccco1)OCC(=O)N2,CHEMBL489788
+CN(C)c1ccc(NC(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cc1,bindingdb_645331
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(=O)O)c2)cc1)Cc1ccc(F)cc1F,CHEMBL191423
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc3[nH]ccc3c1)CCC2,bindingdb_402142
+CCCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760406
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N(C)C)cc2)cc1,CHEMBL312032
+CCn1cc(S(=O)(=O)N2C[C@@H](CC3(C(N)=O)CC3)Oc3ccc(N(C(=O)[O-])C(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_650479
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(=O)N2CCC(C)CC2)c(Cl)c1C,bindingdb_653739
+COc1cccc2c1-c1ccc3c(c1C(c1cc(F)cc(F)c1)O2)C(C)=CC(C)(C)N3,CHEMBL99123
+CC12CCCCC1(O)[N+](=O)C1=C(CCCC1)N2[O-],bindingdb_831018
+CC1(C)OC(S)=Nc2ccc(-c3cccc(Br)c3)cc21,CHEMBL25015
+CCC1Oc2c(ccc(O)c2C)-c2c(C)cc(O)c(C)c21,CHEMBL203072
+O=C(O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645618
+CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC,CHEMBL224207
+CCCCN(C)C(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4081283
+CCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL427710
+COc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,bindingdb_961324
+O=C(c1ccc(N2CCN(C(=O)c3ccccc3O)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL427496
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc23)CC1,bindingdb_648449
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)cnc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206627
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)cc3)cc21,CHEMBL4161407
+COc1ccc2cc3cc(C(=O)NCc4cccs4)oc3nc2c1,CHEMBL1376894
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1,bindingdb_54994
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5cccc(Cl)c5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_654740
+C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12,CHEMBL3774852
+CC(=O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1209234
+CC(=O)N1CCC(C(=O)N2C[C@@H](Cc3cccc4c3CCCC4)[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_647943
+CCNc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2,CHEMBL65381
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COc1cnc2ccccc2n1,CHEMBL2023617
+CC1(O)CN(CC(N)=O)CC[C@H]1CNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F,bindingdb_988959
+CCN(CC)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(CC)C(F)(F)F)c(Cl)c1Cl,bindingdb_645209
+C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(-c5ccno5)cc4)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2326074
+CC(=N)C(C#N)C(=O)CSc1nnc(NC(C)C)s1,bindingdb_526066
+CCOc1cc(C)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1C,bindingdb_403907
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)cc2)cc1,CHEMBL1089176
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)coc12,CHEMBL23670
+N#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12,CHEMBL371009
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1ccco1,CHEMBL4215212
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC4(CCCO4)C2)C3)CC1,bindingdb_645699
+CS(=O)(=O)NC(=O)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4173278
+CCCCCCc1ccc(C(=O)CCN(CCCC)CCCC)cc1,bindingdb_481721
+COc1nc2ccc([C@](O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CCC(F)(F)F,bindingdb_652478
+CCC[C@@H](Oc1ccc2ccccc2c1)C(=O)O,CHEMBL364254
+Cc1ccc(O)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c1,CHEMBL469982
+Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C#N)cc12,bindingdb_206235
+CC(O)(c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL1097475
+CSCC(C)n1c(C(F)F)cc2c(C#N)c(C#N)ccc21,bindingdb_430683
+CCc1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12,bindingdb_651129
+O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cc2ccccc2oc1=O,CHEMBL1347829
+CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCCC3CCCC3)C2=S)CN1,CHEMBL4101440
+Cc1cc(C(=O)O)ncc1C#CC12CCC(OCc3c(-c4c(Cl)cncc4Cl)noc3C3CC3)(CC1)CC2,bindingdb_1017736
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC1(CF)COC1,bindingdb_403443
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(N)cc2)cc1,CHEMBL4212497
+CC(C)(C)Oc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL456531
+NC(=O)c1cc(C(F)(F)F)cc(C23CCC(COCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)c1,bindingdb_1017940
+O=C1COc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc2N1,bindingdb_402854
+CCC[C@]1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC[C@H](C(=O)O)CC1,bindingdb_645216
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3cccc(C(F)(F)F)c3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL245134
+CCOC(=O)N1C[C@H](CC(=O)O)[C@@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1,CHEMBL3398462
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CC[C@@H](O)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263571
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1,bindingdb_672660
+C[C@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC[C@H]1C(=O)O,bindingdb_206676
+COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2oc1=O,CHEMBL458648
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(CN2CCC(O)C2)cc1,bindingdb_511736
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1,CHEMBL2426143
+Cc1cccc(C)c1COC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1,bindingdb_988665
+FC(F)(F)c1ccc(Cl)cc1COc1cccc(-c2c(Cc3ccccc3)nnc3c(C(F)(F)F)cccc23)c1,CHEMBL563706
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc3ccccc23)CC1,CHEMBL1433745
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccccc2O)CC1,CHEMBL1322939
+CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,CHEMBL2355051
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263815
+O=S(=O)(c1ccc(F)cc1)N1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC[C@H]1Cc1nnc(-c2ccncc2)o1,bindingdb_645298
+Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1,bindingdb_760458
+Cn1ccnc1C(=O)NCc1ccc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,bindingdb_25347
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2ccc(O)cc21,CHEMBL4163162
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(C)CC1(F)F)O2)C(F)(F)F,bindingdb_645854
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3c2CCCC3)c(F)c1,bindingdb_646077
+Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c1,CHEMBL1163976
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(S(=O)CC3CCOCC3)cc2)cc1,bindingdb_652917
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cnccn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017751
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCC4CCCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652063
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)CC1CCCOC1)O2)C(F)(F)F,bindingdb_647840
+COCCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CO)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649779
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2s1,CHEMBL2024026
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3C4CCCC3CC4)cc2)cc1,CHEMBL184367
+COc1ncc(C#N)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1,CHEMBL1645403
+CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(CC2CC2)n1,CHEMBL3598233
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)F)CC3)c3c2OCCC3)c(F)c1,bindingdb_651833
+CCn1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C(N)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_646849
+CC(C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1,bindingdb_401071
+C[C@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1,CHEMBL4062371
+C=CC(=O)Oc1ccccc1CCCCCC,CHEMBL237456
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)cn1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC,bindingdb_1182928
+CCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1,CHEMBL206499
+CC(NC(=O)[C@@H](C)O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652467
+C[C@]12C[C@H](c3ccc4c(c3)OCO4)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#CC(F)(F)F,bindingdb_168590
+Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccc(OC(C)(C)C(=O)O)cc2)c(C)c1,CHEMBL1085796
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F,bindingdb_403017
+CN(Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL380711
+O=C(O)COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2,CHEMBL232397
+CCS(=O)(=O)Nc1cc(F)c(-c2ccc(C#N)n2C)cc1F,CHEMBL2203837
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F,bindingdb_647642
+C[C@@H]1CN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)CC[C@@H]1C(=O)O,bindingdb_648439
+Cc1cc(NC(=S)NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Br,bindingdb_672368
+Cc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(=O)O,CHEMBL247908
+NCCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4083780
+Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O,bindingdb_17500
+O=C(CC1CSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CC[C@H](O)CC1,bindingdb_649216
+COc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21,CHEMBL1088344
+CCCc1cc(C(=O)C(C)(C)C)cc(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL191235
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCCCS4(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017835
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3[nH]ncc23)cc1,bindingdb_270518
+Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2ccc(OCC(=O)O)cc12,CHEMBL3397335
+CCO[C@@H](Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)C(=O)O,CHEMBL1813003
+O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2c(O)cc(O)cc21,CHEMBL190682
+COc1ccc(C)cc1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL512837
+CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21,CHEMBL371964
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C)c1,bindingdb_402371
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1Cl,CHEMBL3581680
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(F)c3F)cc12,CHEMBL3699375
+Nc1c(-c2cccs2)cnc2c(-c3ccc(F)cc3)cnn12,bindingdb_1000034
+CC(=O)NC(C)c1nc(-c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)no1,CHEMBL4093975
+O=c1oc2cc(O)ccc2c(Oc2ccc(OCCN3CCCC3)cc2)c1-c1ccc(O)cc1,CHEMBL4170100
+Cc1ccc2c(c1)c1c3n2CCCNC3CCC1,bindingdb_100148
+Oc1cc(-c2ccco2)c2oc(-c3ccc(O)c(F)c3)nc2c1,CHEMBL365045
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2c(C(=O)O)cnn2-c2ccccc2)c1,CHEMBL474148
+CC(C)Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,bindingdb_584144
+CCCCn1c(=O)c2cc(OC)ccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1765173
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_401621
+O=C(O)c1ccc(-c2noc(-c3cc4c(C(F)(F)F)ccc(F)c4o3)n2)c(Cl)c1,bindingdb_965507
+CCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1,bindingdb_481582
+C[C@]1(C(=O)N2CCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC[C@H](C(=O)O)CC1,bindingdb_654981
+O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl,CHEMBL510698
+Cc1cc(-c2cc3ccc(O)cc3s2)ccc1O,bindingdb_831105
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N[C@H](C(=O)OC)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018265
+CC(C)(C)c1cc(OC(=O)Cc2ccccc2)ccc1O,CHEMBL1548044
+Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@@H](C(=O)O)C(C)C)c1,CHEMBL562864
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,DB00655
+CC(C)(C[C@H]1CN(S(=O)(=O)c2c(Cl)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_645968
+O=C1CC[C@@H]2[C@H](C1)c1cc(O)ccc1O[C@@H]2c1ccc(O)cc1,CHEMBL393035
+C[C@]12O[C@@](C)(C[C@@H]1O)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12,CHEMBL3623114
+Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1,CHEMBL461571
+COc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_403109
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1cc(F)cc(F)c1,bindingdb_417475
+CC[C@H](O)Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_653813
+O=C(Cc1cc[n+]([O-])cc1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645705
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)NCCCCCC(=O)O)cc3)C[C@@]21C,CHEMBL503056
+COc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1,bindingdb_1004961
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C,bindingdb_646588
+Cc1c(C(O)(c2cscn2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3819595
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4ccccc4OC(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3969699
+Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1,bindingdb_55546
+CCC(CC)(c1ccc(NCC(O)C(C)(C)C)c(C)c1)c1ccc(NCC(O)C(C)(C)C)c(C)c1,CHEMBL199131
+Cc1ccc2nc(-c3ccc(Cl)cn3)c(NCc3ccccc3)n2c1,CHEMBL4076011
+C[C@]12CCC3C4CCC(=O)C=C4[C@H](CO)CC3C1C1CC1[C@@]21CCC(=O)O1,bindingdb_430633
+Cn1cc(C2CCN(C(=O)CC3CCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_645986
+CCCc1c(OCCCN(C)C(=O)Nc2ccc(C(=O)O)cc2)ccc2c(C(F)(F)F)noc12,3ipu
+Cc1cc(C(F)(F)F)cc2cnn(C(=O)c3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)c12,bindingdb_206622
+CC(C)CN(Cc1ccc(N2CCC(S(C)(=O)=O)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654064
+Cn1cnc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc21,bindingdb_402695
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,bindingdb_124661
+CCC1CN(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C,CHEMBL192055
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CCCC(F)(F)F)cc1F,bindingdb_1183507
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(CCC)(c2ccc3c(c2)OCO3)C1=O,CHEMBL3590258
+C[C@H](c1ccccc1)N1C(=O)N[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O,CHEMBL2407660
+CC(C)(C)OC(=O)N1CCOc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SC3)cc21,bindingdb_17604
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(C)CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4225072
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(C)cc2)C1=O,CHEMBL3588880
+COCC(=O)NCCCCCCCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018075
+C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,DB00530
+COc1cc(/C=C/c2ccc3c(c2)sc(=O)n3CCOc2ccc(CC(OCC(F)(F)F)C(=O)O)cc2)cc(OC)c1,CHEMBL4174996
+C[C@@H](O)C(=O)NCc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651374
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C,CHEMBL1475054
+CCOc1cccc(C2C(C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1,bindingdb_87237
+CS(=O)(=O)Nc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1018703
+CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)OC)cc1,CHEMBL211963
+CCOc1cc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL3263751
+CCC1=C(c2ccc(O)cc2)C(CC)c2cc(O)ccc21,CHEMBL306878
+Cc1cccc2c(C(=O)c3c(F)cccc3C(F)(F)F)cn(-c3ccc(C(=O)O)cc3)c12,bindingdb_651930
+Oc1ccc(-c2nc3cc(O)cc(-c4ccccc4)c3o2)cc1,CHEMBL185783
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCC4(CCCC4)CC3)cc2)cc1,CHEMBL184974
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1,CHEMBL1087580
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)CC(C)(C)C)C(=O)CO,CHEMBL501745
+Nc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O,bindingdb_91292
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12,CHEMBL3678135
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(O)[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_123871
+COc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N,CHEMBL1672546
+CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2312703
+C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,bindingdb_430648
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CN2CC[C@@H](O)C2)Cc2ncc(NC(=O)[C@@H](C)C(C)(C)C)cc21,bindingdb_998195
+CC(C)S(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1,bindingdb_1054325
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccc6ccccc6n5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4213765
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1CCc1ccc(O)c(O)c1,CHEMBL575001
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F,CHEMBL392309
+CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1F)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760418
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccccc2)cc1O,CHEMBL500257
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCC4(COC4)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_653863
+c1csc(Cc2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)c1,CHEMBL1444824
+O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccco1,CHEMBL1413101
+Cc1c(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cnn1C[C@@H](O)CO,bindingdb_649656
+CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1,bindingdb_846299
+O=C(O)COc1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL4225690
+Cc1cccc(-n2ncc3c(N4CCOCC4)ncnc32)c1,bindingdb_45573
+CC1CN(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCC1C(=O)O,bindingdb_649304
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C3CCCC3)CC1)cn2C,bindingdb_645913
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCN(C(=O)OCC2CC2)C3)c(F)c1,bindingdb_649851
+COc1cc2c(cc1NC(=O)c1cnn3ccc(N4CCC[C@@H](N)C4)nc13)CC(C)(C)O2,bindingdb_1127394
+CCc1ccc(S(=O)(=O)C23CCN(C(=O)C4(O)CCS(=O)(=O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_652604
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCCN3CCCCC3)ccc12,CHEMBL241304
+COc1ccc(C(=O)n2c(C)c(Cc3ccccc3O[C@H](C)C(=O)O)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL182100
+C=Cc1cn(-c2ccc(O)c(F)c2)c(=O)c2c(O)cc(O)cc12,bindingdb_1157666
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc(CCS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654104
+CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O,CHEMBL1956149
+Cn1nc(C23CCC(CN(C(=O)C4CC(F)(F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)cc1C1CC1,bindingdb_1018406
+O=C(C1CC(C(F)F)C1)N(CC12CCC(c3nnc(C4CC4)o3)(CC1)CC2)c1cccc(-c2nnc(C3CC3)o2)c1,bindingdb_1018185
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)CCc2ccccc2)c1,CHEMBL223349
+CC(C)c1ccccc1-c1sc2cc(OC(=O)[C@@H](N)C(C)C)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401002
+C[C@H](NC(=O)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1184340
+Cn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)n1,bindingdb_69224
+CCOc1nccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c1F,bindingdb_402659
+CC1(C)OC(S)=Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL24621
+N#Cc1ccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)cc1,CHEMBL437390
+O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)NCCO3,CHEMBL247785
+Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1C,CHEMBL463678
+Nc1nnnn1N=C/C(Br)=C/c1ccccc1,bindingdb_760280
+C[C@H](NC(=O)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F,CHEMBL4128042
+O=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1ccc(C(F)(F)F)cc1,CHEMBL3623102
+CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NC(c5ccccc5)c5ccccc5)cnc4c3cc2CO1,bindingdb_953912
+CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(O)c1,bindingdb_584351
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)C3CN(C(C)=O)C3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653254
+CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F,bindingdb_257878
+CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1,CHEMBL175526
+Cc1c(C(O)(C2CCC2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3819648
+CC(C)c1onc(CSc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL466621
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N(C)C3CN(CCCF)C3)cn2)N1CC(F)(F)F,bindingdb_402829
+CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1,CHEMBL2334343
+O=C(O)c1cccc2c1Nc1cc(C(F)(F)F)ccc1S2,bindingdb_475763
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccn(CCS(C)(=O)=O)c(=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652699
+O=C(Nc1ccccn1)c1csc2c1CCCC2,bindingdb_1000082
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1,CHEMBL1164752
+Oc1ccc2c(c1Cl)OCCC(c1cccc3[nH]ccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402488
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1)C12CC(F)(C1)C2,bindingdb_1018381
+CCC[C@H](OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O,CHEMBL369890
+O=C1c2ccccc2C(=O)N1c1cccc(CCc2ccccc2)c1,CHEMBL575661
+CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(C)on1,bindingdb_87238
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL595689
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N(C)CC(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183619
+CCCCCC/C=C\CCCCCCCCCC(=O)O,DB04801
+O/N=C/c1cc(-c2ccc(O)c(F)c2)ccc1O,CHEMBL475278
+O=C(C1CC(C(F)F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)OC2)c1cccc(-c2cc(C3CC3)on2)c1,bindingdb_1018327
+C[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_650608
+Cc1nc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc2o1,bindingdb_400881
+CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1,CHEMBL2179256
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N(C(C)C)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018216
+CCC1(c2ccsc2)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL506297
+O=S1(=O)[C@H](c2ccccc2)CC[C@H](C(F)(F)F)N1Cc1ccc(N2C[C@@H]3[C@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_651009
+CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(O)(C(F)(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_1004695
+Cc1cc(C)nc(Nc2ccc(N3CCCC3)cc2)n1,CHEMBL1329230
+C[C@H]1CN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC[C@@H]1C(=O)O,bindingdb_650885
+O=C(O)c1cccc(COc2ccc(CO)cc2Cl)c1,bindingdb_760620
+Oc1ccc2c(c1F)CCCC(c1cccc(F)c1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403070
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1,CHEMBL79807
+O=C(O)Cc1cccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c1,CHEMBL222560
+CN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,bindingdb_168489
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(C)C,CHEMBL3233271
+Cc1noc2c(C)c(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc12,CHEMBL220205
+COC(=O)c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl,bindingdb_356239
+CC(C)CN(Cc1ccc(N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317831
+CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1,CHEMBL1391385
+CNC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130896
+COc1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL371320
+CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(OC(C)C)cc1,CHEMBL191276
+COc1cccc(Cl)c1/C=C1\C(=O)N(c2ccc(C(=O)O)c(O)c2)c2cccc(C)c21,bindingdb_206387
+COc1ccc(-c2nc(Cl)cc(Nc3ccc(NC(=O)CN4CCCC4)cc3)n2)cc1,CHEMBL4242028
+CC[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)cc1,bindingdb_1017651
+NNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1,bindingdb_112280
+COc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)cc1,CHEMBL221388
+Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1,bindingdb_1016134
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1,bindingdb_403005
+O=C(c1ccc(Cl)cc1)N1CCCCC(Sc2nnc(-c3ccc4c(c3)OCO4)o2)C1=O,bindingdb_760453
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2c(C(=O)O)nnn2-c2ccccc2)c1,CHEMBL514173
+CCCc1c(OCCCCOc2cccc(CC(=O)O)c2)ccc2c(-c3ccccc3)noc12,CHEMBL435523
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)NC3CCC(O)CC3)c1Cl)n2C,bindingdb_647628
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(CC(F)(F)F)C2CC2)cc1OC(F)F,bindingdb_1183069
+CCc1nc2ccn(CC(C)C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322441
+CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB13951
+Nc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,CHEMBL206286
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(C)cc1,CHEMBL606462
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C#CC(C)(C)Oc3ccc(Cl)c(F)c3)cc2)cc1,bindingdb_647209
+CC[C@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2CC)cn1)C(F)(F)F,bindingdb_1182980
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2SCC1,bindingdb_404050
+COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1,CHEMBL4247845
+COc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC,bindingdb_87207
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)c(O)c1,bindingdb_270486
+Cc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401654
+CC[C@H]1c2ccc(C(=O)NCc3ccc(S(=O)(=O)NC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271233
+CC(C)OC(Cc1ccc(OCCc2noc(-c3ccc(Cl)cc3)n2)cc1)C(=O)O,CHEMBL305854
+COC(=O)c1ccc(CC(=O)c2c(C)cc(O)cc2O)o1,CHEMBL1478258
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(F)c1,CHEMBL3358933
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)[C@@H](c3ccccc3Cl)C2)c1,bindingdb_1000340
+CC(=Nc1ccc(Cl)cc1N)c1c(O)cc(C)oc1=O,bindingdb_999610
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN(C)CC(F)(F)F,bindingdb_655065
+Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N,bindingdb_1726
+CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,bindingdb_1743
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6cccc(OCCCCCCCCCP(=O)(O)O)c6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_417601
+CCS(=O)(=O)c1ccc([C@H](CCO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)cc1,bindingdb_271258
+C[C@H](CCCOS(=O)(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138058
+COc1cccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c1,CHEMBL3917444
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2)N1CC(F)(F)F,bindingdb_402102
+Cc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1,bindingdb_999846
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_652774
+C=C1OC(CC)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C,CHEMBL250425
+COc1ccc(-n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL192691
+O=C(c1ccc(O)cc1)c1ccc(O)cc1,bindingdb_404028
+Cc1n[o+]n([O-])c1COc1ccc(/C=N/n2nnnc2N)cc1,bindingdb_1708
+Cc1nn(C)c(-c2ccc(F)cc2F)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337727
+C=CC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,bindingdb_650416
+OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3cccc(Cl)c3)c(Cl)c2c1,bindingdb_1184255
+CS(=O)(=O)Oc1ccc(C(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_988885
+CC(C)CN(Cc1ccc(N2CC(O)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_653910
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@](C)(c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F,bindingdb_402263
+COc1cc(N2C(=O)C(C)(C)c3cc(-c4cccnc4OC)ccc32)ccc1C#N,CHEMBL2011381
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6ccc(N)cc6)c(O)c5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417649
+O=C(O)CCc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1,CHEMBL223080
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C2(c3cccc(C#N)c3)CC2)cc1,bindingdb_270496
+[C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccc(CCCC(=O)NC)cc3)C2=S)cc1C(F)(F)F,bindingdb_476014
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_402568
+COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1,bindingdb_112087
+c1ccc(-c2csc(N3CCOCC3)n2)nc1,CHEMBL3323496
+Cc1cc(OCc2cc(-c3ccc(Cl)cc3)on2)cc2scc(CC(=O)O)c12,CHEMBL391085
+O=C1CC[C@@H]2c3cc(O)ccc3O[C@H](c3ccc(O)cc3)[C@@H]2C1,CHEMBL235828
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(OC(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_653151
+COc1ccc(-c2nc(COc3ccc4c(ccn4CC(=O)O)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1080540
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F,bindingdb_645682
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)F)nc3)C3CC3)c2F)[C@@H](O)C1,bindingdb_988927
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)(F)F,bindingdb_1182839
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccccc3)cc12,CHEMBL602469
+Cc1nn(CCC(F)(F)CO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337832
+Cc1ccc(C(=O)c2nccn2C/C=C/c2cccc(OCC(=O)O)c2)cc1,CHEMBL1760553
+Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1,bindingdb_539904
+O=C(O)c1ccc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c3cccc(F)c23)c(F)c1,bindingdb_650811
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183799
+O=C(O)c1cnc(N2CC(O)(c3ccc(OCc4c(C5CC5)cnn4-c4c(Cl)cccc4Cl)cc3Cl)C2)c(F)c1,bindingdb_1017609
+Cc1cc(NC(=O)CC(=O)O)c2c(c1C(=O)c1ccc(O)c(C(C)C)c1)CCC2,CHEMBL2035885
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019047
+CCCC(C)(O)C(=O)Nc1ccnc(C(=O)OC)c1,bindingdb_1175314
+CC(C)(Oc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204687
+c1ccc(OCCSc2nc3ccccc3[nH]2)cc1,CHEMBL1563710
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCC(=O)O,CHEMBL1099141
+COc1ccc(C(c2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)O)cc2C)c(OC)c1,CHEMBL97187
+CC(C)c1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(/C=C/C(=O)O)cc2)cc1,CHEMBL4063838
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(C)(=O)=O)nc2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_650871
+O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1cccc(F)c1)c1ccc2c(c1)OCO2,CHEMBL1407014
+COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1,bindingdb_1026196
+COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1,CHEMBL1464805
+CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2C)N1C[C@H](C)C(=O)O,bindingdb_401649
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cn(C)nn1,bindingdb_652845
+CCCCC12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2,CHEMBL209738
+CC1(C(=O)N2CCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CCS(=O)(=O)CC1,bindingdb_653550
+N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)cc1F,CHEMBL26770
+Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1,CHEMBL1319204
+C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1,CHEMBL3261402
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12,CHEMBL3695861
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_270897
+CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)cc1C(C)(C)C,bindingdb_645282
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(c2cccc(C)c2C)CC1,CHEMBL1389986
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1,bindingdb_1183012
+Nc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1,bindingdb_91245
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C#Cc2ccc(F)cc2)C(F)(F)F)cc1,CHEMBL2070355
+CS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_650352
+Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/c1ccco1)[C@H](C(=O)O)C2,CHEMBL1963524
+CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O,CHEMBL518038
+COC(=O)CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_650327
+CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1,CHEMBL1933826
+CS(=O)(=O)NC(=O)c1cc(C(F)(F)F)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1018959
+CCCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)c(C(F)(F)F)c1,CHEMBL372997
+COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Cl)c1,bindingdb_672514
+CC(=O)N1CCN(CCn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)CC1,bindingdb_168404
+CCS(=O)(=O)c1ccc([C@H](COC(N)=O)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_270652
+COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_654442
+C[C@](O)(COc1ccc([N+](=O)[O-])cc1)[C@@H](O)Nc1ccc(C#N)c(C(F)(F)F)c1,DB07421
+CCOC(=O)C1CCN(C(=O)CSc2ccccc2Cl)CC1,bindingdb_112133
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)ccc1OC(C)(C)C(=O)O,CHEMBL237086
+Cc1cc(S(=O)(=O)C23CCN(C(=O)[C@]4(F)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1F,bindingdb_646994
+COC(=O)[C@](C)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccccc1Cl,bindingdb_672476
+Cc1nn(-c2ccccn2)c2c1-c1nc(N3CCOCC3)ncc1CC2,bindingdb_112054
+CN=c1scc(-c2cccs2)n1N=C(C)c1ccco1,bindingdb_999875
+Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O,CHEMBL4245601
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1c(F)cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)c1C1CC1,bindingdb_206274
+COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(OC(C)=O)cc1)O2,CHEMBL4173504
+COc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1,CHEMBL1333501
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4cc(Cl)ccc43)c2)c(C(=O)O)c1,bindingdb_598517
+Cc1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1,bindingdb_999631
+CCCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1,bindingdb_18627
+COc1cc(-c2cccc(N(CC34CCC(c5nc(C)no5)(CC3)OC4)C(=O)C34CC(F)(C3)C4)c2)ccn1,bindingdb_1018324
+Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CCC[C@@H]32)cc1,bindingdb_1050080
+CCc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F,CHEMBL397217
+COc1ccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)cc1,CHEMBL250507
+Cc1c(O)ccc2c1COc1c-2ccc(O)c1C,CHEMBL378798
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2cc(O)ccc21,bindingdb_107877
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCC(=O)NS(=O)(=O)C4CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018149
+CC(C)Oc1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(=O)O)c1,bindingdb_1018147
+CCCCC(C)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL213816
+C[C@@]1(c2ccccc2)CN(C(=O)N2CCCC2)C[C@@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654573
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)N1CCCC1,bindingdb_55082
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183841
+Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1,DB07485
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(C)CC1)O2,bindingdb_647315
+CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1,CHEMBL3699393
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cnc(OCCNCCCF)c2F)N1CC1(F)CC1,bindingdb_402473
+COc1cccc2c1-c1ccc3c(c1C(CC=C(F)F)O2)C(C)=CC(C)(C)N3,CHEMBL50118
+CC[C@@H](Cn1cc(C)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl,CHEMBL3093462
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1,CHEMBL4225088
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1,CHEMBL3263247
+C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@]2(O)C#Cc1ccc([N+](C)(C)C)cc1,bindingdb_1050133
+O=C(N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_654244
+Cc1cc(C)cc(OCc2nc3ncc(Br)cc3[nH]2)c1,bindingdb_17462
+O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)nc1,CHEMBL1471296
+C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL270287
+O=P(O)(O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018113
+COc1cc(SCCC(C)C)ccc1C#N,CHEMBL462663
+CC[C@@]12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2,CHEMBL210074
+CCOC(=O)C(CC)Oc1ccc2c(C)cc(=O)oc2c1,CHEMBL3787387
+Cc1cc(CC(=O)O)c(C)cc1COc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1,CHEMBL254945
+CC[C@@](C)(Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,CHEMBL558083
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCC2(CC1)CNC2=O,bindingdb_651564
+Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1,bindingdb_417594
+O=C(NCCS(=O)(=O)C1CCOCC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018190
+Oc1cccc(C2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)c1,CHEMBL58688
+Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)n1C,bindingdb_1755
+CCCc1[nH]c2ccc(C(=O)NC(CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3115240
+COc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@H](C)C(C)(C)C)CC4)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_645756
+COc1cc(C2c3ccc(N)cc3OC(=N)C2C#N)cc(OC)c1OC,bindingdb_584362
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3,CHEMBL134277
+O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1,bindingdb_1026176
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccccc3C(F)(F)F)C(c3ccccc3)C2)c1,bindingdb_107875
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL386630
+Cc1ccccc1Cn1ccc(NC(=O)c2onc(C)c2Cl)n1,bindingdb_100116
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC1(F)CC1,bindingdb_402506
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN(C)C)cc1Cl,CHEMBL561569
+CC(C)(C#N)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)s1,bindingdb_645416
+CCCCOc1ccc(/C=C\c2cc(OC)cc(OC)c2)cc1,CHEMBL426049
+COC(Cc1ccc(OCCc2nc(-c3ccccc3C)oc2C)c2ccccc12)C(=O)O,CHEMBL483351
+Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,bindingdb_760237
+COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1,bindingdb_91297
+C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C(F)(F)F)c1,CHEMBL470561
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCN(C(=O)C(C)(C)C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017556
+Cc1ccccc1CC(Oc1ccc(Cl)cc1)C(=O)O,CHEMBL442909
+C[C@]1(c2ccc(F)cc2)CN(C(=O)N2CCC(c3ccncc3)C2)C[C@H]1c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_647485
+Cc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccccc2)n1,CHEMBL1928881
+Cc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183081
+CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL519504
+C[C@@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL341272
+CCCOc1ccc(C[C@@H](CCc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2158012
+COc1ccc([N+](=O)[O-])cc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_649347
+CS(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL593241
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264919
+COCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1,CHEMBL1510877
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3F)cc12,CHEMBL3699378
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4C(C)CCC4C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263649
+O=C(O)c1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)nn1CC1CC1,bindingdb_1017642
+Cc1cc(C)c(S(=O)(=O)NC(CSc2ccccc2)C(F)(F)F)c(C)c1,CHEMBL3093460
+CN(C)c1cc(Cl)c(C(=O)N(C)c2ccc(O)c(C(C)(C)C)c2)c(Cl)c1,CHEMBL3613438
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)c1)C(=O)O,CHEMBL213602
+CC[C@H](C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(Cl)cc1,bindingdb_270880
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ccc(NS(C)(=O)=O)nn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649237
+Oc1ccc(/C(=N\c2cccc(Cl)c2)c2ccc(O)cc2O)cc1,CHEMBL3234631
+COc1ccc2c(C(Nc3ccc(Cl)cc3)c3ccccc3Cl)c(C)[nH]c2c1,CHEMBL3109602
+O=C1NC(=S)S/C1=C/c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,CHEMBL90590
+CCOC(=O)C1=CN(C(=O)c2ccc(OC)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL507786
+C[C@H](CN1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1,CHEMBL2113002
+CC(C)c1nn(Cc2ccccc2)cc1C1c2nnnn2CCN1Cc1cccs1,bindingdb_648821
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F,CHEMBL1254734
+COCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168485
+CC(C)(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(F)(F)F,bindingdb_648680
+CN1/C(=C/C(=O)c2nc(S(C)(=O)=O)ncc2Cl)C(C)(C)c2ccccc21,bindingdb_584143
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2cc(F)ccc21,bindingdb_1000128
+CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC,CHEMBL1310309
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206213
+CCC1CC(C(=O)O)CCN1c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12,bindingdb_649933
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCOCC3)c(S(C)(=N)=O)c2)cc1,bindingdb_206563
+Oc1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1375019
+COc1cccc(C#CC(O)(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)c1,CHEMBL2070370
+O=c1[nH]c(=O)c(Cc2c(Cl)cccc2Cl)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204049
+CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_651068
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C(F)F)n2)c1)C12CC(F)(C1)C2,bindingdb_1018714
+Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL1189985
+COCCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)c(C)c1,CHEMBL516510
+CCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(OC)cc21,CHEMBL1765167
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C2,CHEMBL3735218
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL478335
+Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O,CHEMBL4248145
+Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1,CHEMBL195311
+CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1,CHEMBL4069463
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1[C@H](C)c1ccc(C#N)c(F)c1,bindingdb_270643
+Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1,bindingdb_539793
+CC1(C)COC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)OC1,CHEMBL364511
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@](O)(C(=O)O)c2ccccc2C(=O)c2ccccc2)cc1,CHEMBL2282523
+CS(=O)(=O)c1cccc(N2CCN(CC3CCN(CC(F)(F)F)CC3)[C@H](c3ccccc3Cl)C2)c1,bindingdb_1130910
+Oc1ccc2c(c1)OCCC(c1cccc(F)c1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401292
+CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1,bindingdb_1004948
+COC(=O)CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270698
+CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1,CHEMBL3775198
+CCCCCOc1cc2ccccc2cc1C(O)CC#CCCCC(=O)O,CHEMBL1206087
+O=C(O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S,bindingdb_598536
+Cc1cc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2CCc2cc(I)ccc23)ccc1Cl,bindingdb_653101
+SC1=Nc2ccc(-c3ccc(Cl)s3)cc2C12CCCCC2,CHEMBL27818
+COc1nnc(-c2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)c2ccccc12,CHEMBL1446603
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCC[C@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL3085140
+CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12,bindingdb_112116
+CCc1nc(C(=O)NC[C@H]2CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183049
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1ccccc1F)O2,bindingdb_648347
+COc1cccc(-c2nc(C)c(COc3ccc(CC(=O)O)cc3)o2)c1,CHEMBL4214964
+COc1ccc2c(Oc3ccc(OCCN(C)C)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1,CHEMBL4176232
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(C)(C)CO)n1,bindingdb_645712
+Oc1ccc(-c2ccc3ccccc3n2)cc1,CHEMBL3323469
+Cc1nn(CCNS(C)(=O)=O)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337827
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1,bindingdb_760224
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCCC(=O)NO)nn1,bindingdb_475669
+CCOc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1,CHEMBL1494994
+Cc1c(C(=O)Nc2cccc(O)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2022403
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(Br)c3)C(c3ccccc3)C2)c1,bindingdb_1130941
+CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653085
+COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)nn2)cc1,bindingdb_168507
+O=C1COc2ccc(/C=C3\c4ccccc4COc4cc(F)ccc43)cc2N1,5hcv
+CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1,bindingdb_89247
+O=C1NC(c2ccc(Br)cc2)Nc2sc3c(c21)CCC3,CHEMBL1573735
+CC(C)(C)c1ccc(-c2cc(N)[nH]n2)cc1,bindingdb_760583
+CC(=O)Nc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1,bindingdb_292618
+C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccccc1,CHEMBL1482670
+COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1,CHEMBL139536
+O=C(Cc1ccccn1)OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1,bindingdb_1003890
+COc1cc(C#N)cc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C5CCCC5)C(C)(C)C4)cn3C)c2C)c1,bindingdb_645441
+Oc1ccc2c(c1)OCCC(c1ccc(F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_400887
+CCOC(=O)NCC[C@@H](C)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138403
+CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1,bindingdb_760473
+Cc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)no1,bindingdb_112148
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(Cl)cc1,CHEMBL1835814
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCC3CCCCC3)cc12,CHEMBL3695819
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCOCC2)C3)c(F)c1,bindingdb_648929
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(OC[C@@H]2CC2(F)F)cc1OC,bindingdb_1184305
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(=O)N1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL243455
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1cc2cnn(-c3ccc(=O)n(C)c3)c2cc1Cl)c1ccccc1,bindingdb_417794
+O=C1CC(c2ccccc2O)Oc2cc(O)cc(O)c21,CHEMBL4278949
+O=C(c1cc(F)c(O)c(F)c1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648563
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CC[C@@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1183011
+Cn1cnc(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)c1,bindingdb_652869
+COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(O)c(OC)c2)cc1,bindingdb_35515
+COc1ccc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC,CHEMBL388363
+O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl,DB08402
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCCS(C)(=O)=O)ccc2O1,bindingdb_651042
+CC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL206059
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F,bindingdb_1183257
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(F)cc2)c(C)c1,CHEMBL1668064
+C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961242
+O=C(c1cc(C(F)(F)F)ccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cn[nH]c1)C2,CHEMBL4071548
+O=C(c1cc(O)no1)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650347
+Cc1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12,bindingdb_999772
+CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)CCC(C)(C(=O)O)O2,CHEMBL431450
+C[C@@H]1[C@@H]2[C@@H](c3ccc(O)cc3)OC[C@@]1(CO)CC[C@@H]2C,DB07087
+Cc1cc(C(F)(F)F)nc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_647089
+C=CC(=O)Oc1ccc(C(=O)OCCC)cc1,bindingdb_26648
+CCC12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL212675
+Oc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1O[C@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050116
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1cnc(NCCCOCC(F)(F)F)cc1OC,bindingdb_1182994
+CSc1ccc(CN=Nc2ccc(Cl)c(C(=O)O)c2)cc1,bindingdb_999759
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1OC(F)F,bindingdb_1184118
+Cc1c(F)ccc(C2(C(F)(F)F)CC2)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_646602
+CN(C)CCOc1ccc(Oc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL4173553
+CC1CC(C(F)(F)F)c2c([nH]c3cc(Cl)c(Cl)cc23)C1O,CHEMBL3682522
+O=C(O)c1ccc(-c2nn(C(=O)c3c(C(F)F)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCC4(COC4)C2)C3)c(F)c1,bindingdb_648427
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NC(=O)Nc2ccccc2)C3)cc2ccccc21,bindingdb_1000097
+O=C(O)Cn1ccc2cc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc21,CHEMBL202240
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4nccc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651600
+Cc1ccc(OCCCC(C)CC(=O)O)c(Cn2c(C)cnc2-c2ccc(C(F)(F)F)cc2)c1,bindingdb_1002257
+CCCCCCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL219387
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccc3c(c2)OCO3)cc1,CHEMBL247720
+NC1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645108
+CCCCN(C)C(=O)CCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL224779
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ncn[nH]1,bindingdb_654281
+CC1(C)[C@@H]2CC[C@@]1(CN(CC(F)F)C(=O)c1c[nH]c(=O)cn1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649655
+COC(=O)C[C@H]1CC[C@H](CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CC1,bindingdb_1127463
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3Cc2ccccc2)cc1,bindingdb_270999
+C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)cn1,bindingdb_1017778
+CC(C)c1ccccc1-c1sc2cc(OC(=O)C(C)(C)C)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_403471
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(OC)c1,CHEMBL3814351
+CCCC(O)(c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,CHEMBL242528
+CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2312702
+CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4C(C)(C)O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650010
+CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c1OCCC2C(F)(F)F,CHEMBL3588887
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(Cl)cccc34)c2)c1,CHEMBL593267
+[C-]#[N+]c1ccc(N[C@@H](c2nc(-c3ccccc3)no2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640909
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1,CHEMBL81591
+O=C(O)c1cnc2c(I)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654445
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl,CHEMBL3640898
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccncc4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018726
+COCCn1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)O)c(C)c2)cc1-c1ccc(C(C)(C)C)cc1,CHEMBL462554
+CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C#N)c[nH]c12,CHEMBL371087
+CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,CHEMBL218490
+Cc1ccc(N2CN=c3sc(=Cc4cccnc4)c(=O)n3C2)cc1,bindingdb_34094
+C[C@@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc(C#N)cc2)o1,CHEMBL3640862
+CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL282091
+CC(C)(C(=O)Nc1ccsc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426643
+Cn1c(-c2ccccc2)c(CCc2ccccc2)c2cc(CC(=O)O)ccc21,CHEMBL111841
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_645948
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCCCC2)cc1[N+](=O)[O-],CHEMBL2348881
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270487
+OC[C@H]1O[C@@H](Oc2ccc(CCCC[C@H](O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL2159606
+CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(CC)nc3ccccc3c2=O)cc1,CHEMBL4080597
+Oc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1,CHEMBL199766
+Cc1cccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)c1,bindingdb_999751
+CC[C@@H]1c2ccc(C(=O)NCc3ccc(S(=O)(=O)NC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271238
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1,CHEMBL257345
+COc1nc2ccc([C@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_652626
+CC1(NC[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)COC1,bindingdb_646467
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1)C(=O)O,CHEMBL483032
+CC(C)(O)CNC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_654863
+CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1,CHEMBL3781952
+C[C@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL424787
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,CHEMBL1161
+CNS(=O)(=O)c1cc(N2CCN(c3ncc(C(C)(C)O)c(C(F)(F)F)n3)[C@H](C(C)C)C2)ccc1F,bindingdb_1131080
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)s1,bindingdb_653009
+Cn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccccc1,CHEMBL1584932
+CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,bindingdb_651305
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1CC1(F)COC1,bindingdb_402890
+O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL271019
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@@H]([C@@H](O)C(F)(F)F)O2)C(F)(F)F,bindingdb_650378
+COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCc2ccc(C)cc2)cc1,CHEMBL235497
+Cc1cc(C2(C(=O)O)CC2)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1,CHEMBL3792627
+CC(C)CN(Cc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317827
+COc1ccc(-c2c(Nc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3oc2=O)cc1,CHEMBL4069985
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccn3ccnc3c2)c1)C12CC(F)(C1)C2,bindingdb_1017730
+CCCCCCSc1cc(C)c(C(=O)CCN(C)C)c(C)c1,CHEMBL541737
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(Cl)c1,bindingdb_402624
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647852
+O=C(N1CCC(c2ccncc2)C1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645059
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(F)cc2[nH]1)C(F)(F)F,CHEMBL1911651
+Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,CHEMBL1567613
+CC(=O)N1CCN(c2ccc(CN3CCC(C)N(c4ccccc4)S3(=O)=O)c(F)c2)CC1,bindingdb_646590
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4167504
+CCCC(C)(O)C(=O)Nc1ccnc(Br)c1,bindingdb_1175320
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_654787
+O=C(O)Cc1cc(Cl)c(-c2cccc3cc(O)ccc23)c(Cl)c1,CHEMBL195327
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184120
+COc1ccc(Cl)cc1-n1nnc(Nc2ccc(C(C)(C)C)cc2)c1C,bindingdb_356242
+O=C(/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL4224834
+CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2ncccn2)c(Cl)c1,bindingdb_18588
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(F)c(OC)cc3F)C[C@@]21C,CHEMBL222127
+CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,CHEMBL1405411
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl,CHEMBL232249
+Cc1cccc2cc(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)c(=O)[nH]c12,bindingdb_403835
+Cc1c(C2=NN3CC[C@H](O)[C@H]3[C@@H]2OC(C)C)ccc(C#N)c1Cl,CHEMBL3326456
+O=[N+]([O-])c1ccc2[nH+]c3c([nH+]c2c1)[N-]c1ccccc1[N-]3,bindingdb_999673
+CCC(Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094482
+COc1ccc(-c2cn3ccsc3n2)cc1,CHEMBL1383781
+O=C(c1c(Cl)cccc1C1CC1)c1nc(N2CC[C@H](C(=O)O)[C@@H](O)C2)c2ccccn12,bindingdb_998287
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(Cl)cc1,bindingdb_270929
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)CC1CCCCO1)O2)C(F)(F)F,bindingdb_650126
+C[C@@H]1Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SCC3)ccc2O1,bindingdb_403281
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1F,bindingdb_961208
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@H](CNC(=O)[C@@H]1C[C@@H]1C#N)O2)C(F)(F)F,bindingdb_648858
+N#Cc1ccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1,CHEMBL1447631
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3c(Cl)cccc3Cl)c(F)c2)CC1,bindingdb_654695
+O=C(C1CCC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(C3CC3)on2)c1,bindingdb_1018566
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(N)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648604
+COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc1OC,CHEMBL3314495
+CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1Oc1cncc(Cl)c1,CHEMBL2331779
+C[C@]1(c2ccccc2)CN(S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654152
+Cc1cnccc1-c1nc(-c2ccccc2F)c2c(n1)[C@]1(C)CC(C#N)=C(O)[C@H](C)[C@H]1CC2,bindingdb_652934
+Cn1cccc1C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646326
+Cn1cc(C2CCN(C(=O)[C@H]3C[C@H]4CCCC[C@H]4C3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_647080
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2C2CCOCC2)c1Cl,bindingdb_168532
+O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl,CHEMBL1782957
+CC(C)(Oc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204689
+COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1946755
+CC(C)CN(Cc1ccc(N2CC3(CCOCC3)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647847
+OCc1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL604479
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1182912
+CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1,bindingdb_476029
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654903
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC(C)CC2)c2ccccc12,bindingdb_650420
+O=C(c1cc(-c2ccccc2Cl)on1)N1CCCC1,bindingdb_1000318
+O=C(N[C@H]1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccnc1,bindingdb_653670
+C[C@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1,bindingdb_1184137
+C=CCCOC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL194192
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1,CHEMBL520428
+CC(C)(O)CNC(=O)C[C@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,CHEMBL4204747
+COc1ccc2c(c1)c(Cc1ccc(OC(C)(C)C(=O)O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL360762
+Nc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccccc1[N+](=O)[O-],CHEMBL3856094
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640822
+Nc1c2c(nc3sc4c(c13)CCCC4)CCCCC2,bindingdb_999764
+Cc1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12,bindingdb_999675
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCCCC4CO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017885
+CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O,CHEMBL3613417
+CCCC(CCC)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1,CHEMBL2403363
+CN1CCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)CC1,bindingdb_760384
+CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,bindingdb_584431
+O=C(O)c1cc(C(F)(F)F)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1018737
+C=CCC1Oc2ccc(OCC#N)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8055
+Cc1ccc(SCCN2CCC(C)CCC2=O)cc1,bindingdb_1000344
+O=C(O)[C@H]1[C@@H]2C[C@@H](C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)C[C@@H]21,CHEMBL3962245
+Oc1ccc(-c2nn(C3CCCCC3)c3cc(O)ccc23)c(O)c1,CHEMBL389393
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL135
+Cc1c(O)ccc2c1oc(=O)c1c(C)c(NS(C)(=O)=O)ccc12,CHEMBL383753
+Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1,bindingdb_846276
+COc1cc(Cl)cc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C(C)C)C(C)(C)C4)cn3C)c2C)c1,bindingdb_645696
+C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL302870
+N#Cc1ccc(N2[C@@H]3CC[C@@H]2CC(=O)C3)c2ccccc12,CHEMBL576275
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCCO,bindingdb_647348
+CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)O)cc1,bindingdb_112251
+CCCc1c(SC)c2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL590983
+COCCNC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL270143
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCOC(=O)CCC(=O)O)cc3)C[C@@]21C,CHEMBL446933
+CCn1cc(/C=C/C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1,bindingdb_112175
+Oc1cc(F)c(-c2ccc3c(Cl)c(O)ccc3c2)c(F)c1,CHEMBL192260
+O=C(O)c1cc([C@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(F)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017678
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3F)cc21,CHEMBL4159798
+Cc1cc(C(=O)O)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1017874
+CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1,CHEMBL103294
+O=C(O)c1ccc2c(c1)CCN(C(=O)C13CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC1)CC3)C2,bindingdb_1018017
+C#C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@@]21C,CHEMBL381566
+COc1ccc(-c2nc(SCCOc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081950
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CCCCC3)cc2)Oc2ccc(O)cc21,CHEMBL4168008
+CCCc1c(O[C@H](C(=O)O)c2ccc(C(C)C)cc2)c(Cl)cc2c1oc(=O)n2CC,CHEMBL371778
+N#C[C@@H]1CCN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_649174
+Cc1ccc([C@@](O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)c(C)n1,bindingdb_648382
+O=S(=O)(c1ccccc1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL380612
+O=C(O)c1cnc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nn12,bindingdb_1018430
+Cc1noc(-c2cccc(N(CC34CCC(c5ccc(C6CC6)cc5)(CC3)CC4)C(=O)C3CC3)c2)n1,bindingdb_1017692
+COc1cc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)ccc1F,CHEMBL589747
+CCOC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1,CHEMBL2381363
+C[C@H]1C[C@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O,CHEMBL1257776
+C[C@H](Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O,CHEMBL4092600
+CC12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,CHEMBL377475
+CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,CHEMBL371562
+CC(C)(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@H]1C(C)(C)O,bindingdb_108431
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(F)cc2F)cc1,CHEMBL3990897
+O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccccc2Cl)c(=O)[nH]1,CHEMBL398171
+O=c1cc(-c2ccccc2O)oc2ccccc12,CHEMBL144278
+O=C(c1ccccc1Cl)c1sccc1-c1cccc2ccccc12,CHEMBL4286904
+O=C(O)Cc1ccc(CNC(=O)Nc2cc(F)c(-c3ccccc3OC(F)(F)F)c(F)c2)cc1,bindingdb_650722
+COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,DB13310
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1,CHEMBL430006
+CN1CCC(S(=O)(=O)NC(=O)c2ccc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)CC1,bindingdb_1017732
+CCCCOc1c(Br)cc(CC(=O)O)cc1Br,bindingdb_481669
+CC(C)CN(Cc1ccc(N2CCC3(CCNC3)C2=O)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647927
+CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,CHEMBL376847
+C[C@@H]1[C@H](CNC(=O)[C@H]2C[C@H]2F)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N1S(=O)(=O)c1cn(C(F)F)nc1OCCO,bindingdb_645058
+[C-]#[N+]c1ccc(N2C(=O)C3(CCCC3)N(c3ccc(C#N)cc3)C2=S)cc1C(F)(F)F,bindingdb_475701
+CCN(CC)[C@@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C)c2)C1,bindingdb_998348
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCc3c(C)noc3C)c(S(C)(=N)=O)c2)cc1,bindingdb_654269
+CN(Cc1ccccc1)C(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccc(F)cc2)C1,bindingdb_648848
+CCNc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596637
+CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)cc1,CHEMBL1801011
+Cn1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)n1,CHEMBL4060190
+CC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,bindingdb_1074214
+O=C(O)c1ccccc1Nc1ccc(SC(F)(F)F)cc1,bindingdb_476065
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_1183192
+CCc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1,CHEMBL1480971
+CC1CCCC(C)N1CC(=O)Nc1sc2c(c1C#N)CCCC2,CHEMBL1597328
+CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018385
+COC(=O)CNc1c(-c2ccccn2)nc2ccc(Br)cn12,CHEMBL1439324
+Cc1cc(C=C2SC(S)=NC2=O)c(C)n1-c1ccccc1,bindingdb_999835
+O=C(O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4160416
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccsc1,CHEMBL393194
+COCC(C)(F)CN1[C@H](c2c(F)cc(OCCNCCCF)cc2F)c2[nH]c3ccccc3c2C[C@H]1C,bindingdb_402273
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1,bindingdb_402396
+C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1,bindingdb_1074233
+COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O,bindingdb_958496
+N#Cc1c(NC(=O)c2ccc(Br)o2)n(-c2ccccc2)c2nc3ccccc3nc12,CHEMBL1415156
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1Cc2ccccc2CN1C(=O)c1ccco1,CHEMBL1321357
+COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)C)cc2)c1C,bindingdb_356214
+NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccccc1,bindingdb_999933
+CCCCCCCc1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1,CHEMBL3357979
+O=C1COc2ccc(C3=Nn4cnnc4SC3)cc2N1,CHEMBL1928869
+CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334815
+COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)C=CC2(C)C,6br3
+CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1,bindingdb_760212
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)c(F)cc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_403261
+Oc1ccc2c(c1)SCCC(c1ccc(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402753
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(F)c1,bindingdb_401357
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2,bindingdb_100108
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(c2ccccc2)C1=O,CHEMBL3403695
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CC4(CC(C(=O)O)C4)C3)c1Cl)n2C,bindingdb_206406
+O=C(O)[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_649714
+C[C@@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL469965
+CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL492421
+CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(C)C(=O)O,bindingdb_999717
+C#Cc1c(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)nc(CC)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182754
+CC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21,CHEMBL370037
+O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,CHEMBL30707
+Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(CC(C(=O)O)c2cccnc2)cc1,CHEMBL478726
+Cc1cccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)c1,CHEMBL1911146
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(S(=O)CC3CCOCC3)c(CO)c2)cc1,bindingdb_652916
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4NCC23)CC1,bindingdb_648559
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183468
+O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1,bindingdb_982669
+O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCc1ccc(Cl)cc1,bindingdb_112132
+CC(C)(O)CNC(=O)c1nc(CC2CCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)s1,bindingdb_646500
+CCCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL199819
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1OCC(F)(F)F,bindingdb_651999
+CCC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648284
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F,CHEMBL3828718
+COc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccccc2)cc1,CHEMBL1163595
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)NS(C)(=O)=O)c2)c(C(F)(F)F)n1,CHEMBL1209171
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1184155
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)C(=O)O)n3)nc2CN2CC(F)(F)CC2(C)C)c(C(F)F)c1F)C(F)(F)F,bindingdb_645976
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3CCCCC3)c(C(F)(F)F)c2)cc1,bindingdb_649760
+CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(CC(C)C)cc1,CHEMBL188751
+CCCc1cc(C(=O)C(C)C)cc(CCC)c1OC(C(=O)O)c1ccccc1,CHEMBL371195
+COC(=O)CSc1nc2cc(C)ccc2cc1C#N,bindingdb_1005057
+CCNC(=S)Nc1nc2c(cc1C(=O)OCC)CCCC2,bindingdb_87251
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCCCC3)cc2Cl)cc1)C(=O)O,CHEMBL424685
+CCCCC(Sc1nc(OCCc2ccc(C)cc2)cc(OCCc2ccc(C)cc2)n1)C(=O)O,CHEMBL1173376
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(C(F)(F)F)c3)cc12,CHEMBL3699368
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)cc3)c1)CCC2,CHEMBL2312264
+C[C@H](NC(=O)N1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401717
+CC(C)[C@@H](C)CC(=O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4059545
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(-c2ccc3c(O)cc(=O)oc3c2)c2n1CCCC2,bindingdb_998242
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccccn1,CHEMBL2021945
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](C)C(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263752
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CCC(=O)O,bindingdb_401523
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(NC2COC2)C3)c(F)c1,bindingdb_648516
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2,CHEMBL255521
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OCO3)cc1,bindingdb_270541
+CCc1cc(OCCc2nc(-c3ccc(C#N)cc3)oc2C)ncc1CCC(=O)O,bindingdb_1003752
+CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,DB11921
+COc1ccc(-c2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL235159
+O=C(O)c1cc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)ccc1O,bindingdb_998349
+COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)cc2OC1=O,CHEMBL514568
+C/C(=C\c1cc(C(=O)O)cs1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL93628
+Cc1c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)cc(Cl)c(S(N)(=O)=O)c1Cl,bindingdb_652209
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(OS(C)(=O)=O)cc3)C2)c1)C(=O)O,CHEMBL483035
+CC(C)(N)CC(=O)NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647693
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(Cn2nnnc2C)cc1,bindingdb_652292
+C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL123789
+CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(C(=O)O)[nH]1,CHEMBL4224776
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183334
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018273
+CC(=O)N1Cc2cc(S(=O)(=O)CC3(F)CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652504
+CCCC(CCC)(c1ccc(O)c(C)c1)c1c[nH]c2cc(OCc3ccccc3)ccc12,CHEMBL4226152
+Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O,CHEMBL392717
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCCC2)c2ccccc12,bindingdb_652455
+CCc1noc(C)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,bindingdb_760365
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1,CHEMBL255251
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H](CO)Cc1c[nH]cn1,bindingdb_646018
+C[C@](O)(Cn1cnc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475972
+CCC/C=C(\CCC)C1=C(C)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL214772
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C#N)c(C(F)(F)F)n1,bindingdb_1131031
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(C)cc3)n2)c1,CHEMBL1097195
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017708
+COc1cccc(C2SC(c3ccc(F)c(F)c3)=NN2C(=O)c2cccc(F)c2)c1OC,CHEMBL243494
+Cc1ccnc(NC(=S)NC(=O)c2cccs2)c1,bindingdb_999948
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ccc2ccccc2n1,CHEMBL1917250
+CCCc1nnc(SCC(=O)Nc2ccc(C(=O)OCC)cc2)o1,bindingdb_1691
+COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2oc1=O,CHEMBL515991
+FC(F)(F)c1cccc(CN(CCCOc2cccc3[nH]ccc23)CC(c2ccccc2)c2ccccc2)c1Cl,bindingdb_999632
+CC(C)[C@H]1c2ncc(C(=O)NCC(F)F)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123889
+O=C(O)c1ccc(-c2nn(Cc3c(F)cccc3F)c3cccnc23)c(F)c1,bindingdb_54978
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCC(O)CC1,bindingdb_646450
+Oc1ccc2c(c1)CCCC(c1ccc3c(c1)NCCO3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_17611
+COc1ccc(C(=O)Nc2nc(O)c3cc(OC)c(OC)cc3n2)cc1,CHEMBL1353818
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccc(Cl)c(F)c1,bindingdb_417494
+C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)OC[C@@]12C,CHEMBL551863
+CC(C)[C@H]1c2ncc(C(=O)NCCN3CCOCC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123985
+CCn1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cn1,CHEMBL2407857
+CC[C@H](C[C@H]1CN(S(=O)(=O)c2cn(CC)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_647812
+Cc1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018841
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O,CHEMBL3590267
+CCc1nc2cc(O)ccc2c(Oc2ccc(OCCN(C)C)cc2)c1-c1ccccc1,CHEMBL195080
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640838
+COc1ccc(COc2cccc(OCCOc3ccc4c(c3)c(CC(=O)O)cn4Cc3ccccc3)c2)cc1,CHEMBL3597395
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@@H](c3ccccc3Cl)C2)ccc1C(N)=O,bindingdb_1143446
+C[C@]1(C(=O)NC2CC3CCC2C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL424831
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccncc1,CHEMBL365818
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2C[C@H](O)C2)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F,bindingdb_1184337
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)c(F)c3CCC2)ccc1Cl,bindingdb_403699
+Cc1ccc(-c2c(C#N)c(S)nc3c2CCCC3)o1,CHEMBL1566010
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)F,bindingdb_401969
+CC1=CC[C@]2(O)C[C@H]1[C@H](c1ccc(O)cc1)OC2(C)C,CHEMBL360127
+N=c1c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCC2,bindingdb_539981
+CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],CHEMBL561371
+CCCc1c(OCCCN(C)c2ccccc2)ccc2c(C(F)(F)F)noc12,CHEMBL207236
+COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)n(C)c2c1,5u5l
+c1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1,bindingdb_672490
+Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4227134
+CCn1nc(C)c(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1,CHEMBL3337729
+Cc1cn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_18544
+CCOc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1,bindingdb_292537
+Cc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1,CHEMBL1331872
+C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](C(O)CCCCC)C1C2,bindingdb_430615
+Cc1cc(O)ccc1-c1ccc(-c2ccc(OCCN3CCCCC3)cc2C)[se]1,CHEMBL4293821
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1cccs1,bindingdb_648082
+Cc1ccccc1N1CCN(C(=O)C2CC2c2ccccc2)CC1,bindingdb_475723
+CCCCCCCCCCCCCCCC(=O)O,CHEMBL82293
+CO[C@H]1C[C@@H]2CN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CN(C[C@@H](F)C(C)(C)O)C4=O)CCN2C1,bindingdb_1127580
+O=C(CC1CCCC1)Nc1ccc2c(c1)CCC2,bindingdb_112228
+Cc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1,CHEMBL4176105
+CCN(CCO)Cc1ccc(Cl)c(Cc2nc3c(C)cc(C(F)(F)F)cc3n2C)c1Cl,bindingdb_651058
+COC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_649220
+CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O,CHEMBL1668774
+O=COCc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_54876
+COc1nc2ccc([C@@](O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CCC(F)(F)F,bindingdb_652045
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_653302
+C[C@@H](OC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1,bindingdb_649144
+CCCCCCCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1093421
+Cc1cc(OCc2nc(C)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O,CHEMBL1081949
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(OC)cc4)oc3C)ccc21,CHEMBL200122
+Cc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1,CHEMBL3318055
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1,CHEMBL3094387
+Cc1c(O)ccc2c1oc(=O)c1cc(O)cc(C)c12,CHEMBL414859
+CCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760405
+c1ccc(CNc2c(-c3cccs3)nc3ccccn23)cc1,CHEMBL4096700
+CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2)c2ccc(C#N)c(Cl)c2)C1,CHEMBL591072
+Cc1cccc(CN2CCn3nnnc3C2c2ccncc2)c1,bindingdb_650985
+CCCn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(CC2CCCCC2)c1=O,CHEMBL149438
+COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,bindingdb_55737
+COc1ccc(CNc2cc(C)nc3ncnn23)c(OC)c1,bindingdb_760301
+O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(Cl)cc1Cl)c1ccco1,CHEMBL1601448
+O=C(NNC(=O)c1ccc(SCC2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL1349347
+CC1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1CCO,CHEMBL2419297
+Cn1c(=S)[nH]c2c(c1=O)C(C)(C)Cc1ccccc1-2,bindingdb_953832
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCSC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018615
+CC(C)(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1,CHEMBL4206319
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)O,CHEMBL1076162
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(O)C3)c1Cl)n2C,bindingdb_645925
+Oc1ccc2c(c1)SCCC(c1ccc3cc[nH]c3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403911
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccco1,CHEMBL1484657
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL410923
+CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c1,bindingdb_475818
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCOCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL605996
+CC(=O)Nc1ccc(-c2ccnc3c2CC(C(=O)NCc2ccccc2)O3)cc1,bindingdb_69255
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3C(F)(F)F)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL396784
+CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC(F)(F)C[C@@H]12,CHEMBL3326466
+CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL541509
+Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@@](CC(C)C)(C(=O)O)OC1,CHEMBL271873
+COc1ccc(O[C@H](C)CNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_402414
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ncc(Br)c(C(F)(F)F)n1,bindingdb_1130779
+CCOc1sc(C2CC2)nc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_653913
+CC[C@@H]1CNc2cc3oc(=O)cc(C(F)(F)F)c3cc2[C@H]1CC,CHEMBL2112310
+COCC(F)(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402285
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCS(=O)(=O)CC1,bindingdb_648294
+Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ccccn4)CC3)cc12,CHEMBL1326366
+Oc1ccc2c(c1)CCCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_400922
+CC(C)(OC(=O)Nc1cc(Cl)c2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(C)(=O)=O)O2)C(F)(F)F,bindingdb_648657
+CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)NOC,bindingdb_88913
+CC[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1183676
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1,CHEMBL2426157
+Cc1cccc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1,CHEMBL220325
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CN6CCOCC6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834536
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(NCCN2CC[C@@H](CF)C2)cc1,bindingdb_961143
+COc1ccc(F)cc1-c1ccc([C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1645397
+CC(C)N(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1,CHEMBL4095771
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NC4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017755
+Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CCC2)c(C)c1,CHEMBL3775324
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnn(C2CCN(C)C2)c1,bindingdb_653766
+C[C@@H](c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1)N(CC(=O)O)C(=O)Oc1ccccc1,CHEMBL1088098
+Cn1c2c(c3cc(Cl)ccc31)CSc1ccccc1-2,CHEMBL378733
+O=C(O)C1(c2ccc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)CC1,bindingdb_1018760
+CCN(C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL400352
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(F)c(F)c3)cs2)n1)C(=O)O,CHEMBL3094415
+COC(=O)c1ccc(-c2noc(C34CCC(COCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1017694
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@H](O)C4CC4)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647606
+CS(=O)(=O)CCC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652001
+CC(C)(Oc1ccc(CCO)cc1)C(=O)O,CHEMBL2204684
+CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1,bindingdb_831031
+C#C[C@]1(O)CCC2C3CC[C@H]4Cc5cc(S(C)(=O)=O)oc5C[C@]4(C)C3CC[C@@]21C,CHEMBL44834
+Cc1cc(SC(Cc2c(F)cccc2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037588
+C#Cc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL7671
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)c(Cl)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401793
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017607
+Cn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21,CHEMBL375334
+CC(C)c1cc(Oc2c(Br)cc(OCP(=O)(O)O)cc2Br)ccc1O,CHEMBL457527
+O=C(NCc1ccnnc1)[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648987
+C=C(C)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)n(CC(C)C)n1,bindingdb_999762
+O=C1NC(=S)S/C1=C\c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757544
+CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O,CHEMBL24038
+Cc1occc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21,bindingdb_999903
+COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C,CHEMBL491820
+CCCCCCc1ccc(C(=O)CF)cc1,CHEMBL236341
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426662
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)NC)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648181
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CHEMBL4170402
+CC1(C)CCC[C@@H]2c3cc4c(C(F)(F)F)cc(O)nc4cc3N[C@@H]21,CHEMBL162368
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL375675
+CN1C[C@@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL565157
+CCC1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21,CHEMBL206547
+N#Cc1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc2c1CCCCCC2,bindingdb_584079
+CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(F)cc2)cc1)C(=O)O,CHEMBL327481
+COC(=O)[C@@]1(C)C(=O)C=C[C@@]2(C)c3nc(-c4ccncc4)nc(OC)c3CC[C@H]12,bindingdb_652908
+Cc1cc2cc(C(C#Cc3ccc(F)cc3)/C=C\COc3ccc(OCC(=O)O)c(C)c3)ccc2o1,CHEMBL437364
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2cnc3ccccc3c2)cc1,CHEMBL1082089
+COc1ccc(CCCC(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,CHEMBL122009
+CC(=O)Oc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL4064246
+CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1,bindingdb_402521
+CC(=O)Nc1ccc(OC(C)C)c(Cl)c1,CHEMBL4168240
+CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1,bindingdb_1005023
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnn2cccnc12,bindingdb_648952
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(C)c1,bindingdb_401457
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)nc1,bindingdb_123894
+CC1(C)CCC(c2ccc(OCCCOc3ccc4c(c3)O[C@@](C)(C(=O)O)CC4)c(Cl)c2)CC1,CHEMBL182200
+CCCc1cc(C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCCN1CCCc2c(OC(C)(C)C(=O)O)cccc21,CHEMBL508163
+Cc1cc(Oc2cccc(CNC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O,CHEMBL238152
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCC2)cc1C(F)F,bindingdb_1182834
+CCc1cc(O)cc2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL195208
+CC(=O)N(C)c1ccc(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)cc1,bindingdb_648002
+O=C(NCCc1cn2ccccc2n1)c1cc(COc2ccc3ncccc3c2)on1,bindingdb_539928
+COc1cccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)c1,CHEMBL163333
+C[C@](O)(COc1ccccc1C#N)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238287
+CC[C@@H](C)[C@H](C(CC(=O)N1CCCC1[C@@H](OC)[C@H](C)C(=O)N[C@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C,bindingdb_55529
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccnc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017900
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCc2[nH]ncc2C1,bindingdb_646287
+CCCc1cc(C(=O)Nc2ccccc2SC)no1,bindingdb_1005044
+CCN(CCOC)C(=O)c1cnc(N2CCN(c3cc(F)c(CO)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C,bindingdb_125942
+CCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1,bindingdb_292587
+CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21,CHEMBL199730
+CCn1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1Cl,bindingdb_1184231
+Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,bindingdb_1003782
+C=CCn1c(COc2ccc(OC)cc2)nnc1SCn1nnc2ccccc2c1=O,bindingdb_672500
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc21,CHEMBL373605
+CC(C)(O)C1CCN(C(=O)c2cnc(Nc3ncnc4c3CCN(c3ccc(C#N)c(C(F)(F)F)c3)C4)o2)CC1,bindingdb_475738
+COC[C@@H]1CCCN1C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_647361
+O=S(=O)(c1ccccc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC1,bindingdb_652513
+Fc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,bindingdb_584281
+CC(C)(O)CC(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_646203
+O=C(O)[C@H]1CC[C@@](F)(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646396
+O=c1[nH][nH]cc1C=Nc1ccc(Oc2ccccc2)cc1,bindingdb_672618
+O=C(O)c1ccc(S(=O)(=O)C2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)cc1,bindingdb_646811
+Cc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)cc1,bindingdb_18657
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NC(=O)c3cccc(C#N)c3)ccc21,CHEMBL4291727
+Cc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1,bindingdb_91281
+O=c1cc(C(F)(F)F)c2cc(NCC(F)(F)C(F)(F)F)ccc2[nH]1,CHEMBL3706908
+CS(=O)(=O)c1cc(N2CCN(c3ncc(CO)c(C(F)(F)F)n3)[C@H](c3ccc(F)cc3)C2)ccc1F,bindingdb_1143445
+O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1cccs1,bindingdb_1026195
+CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)cc(/C=C/c2ccncc2)c1O,CHEMBL217221
+COc1ccc(C(=O)n2c(C)c(Cc3cccc(O[C@H](C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL359548
+Fc1cc(F)cc(C2c3nnnn3CCN2Cc2ccccc2)c1,bindingdb_647612
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(S(C)(=O)=O)CC3)c1Cl)n2C,bindingdb_206493
+Cc1ccc(NC(=O)CN(C)C(=S)NC2CC2)cc1,bindingdb_112120
+N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)N3C2=O)c2ccccc12,CHEMBL218809
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_653074
+O=C(O)C1CC2(C1)CC(C(=O)N[C@@H]1CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]13)C2,bindingdb_649938
+COc1cccc(NC(=O)n2ncc3c(C)cccc32)c1,bindingdb_999654
+CCCC/C(=C\c1cc(OCCc2ccc(C(F)(F)F)cc2)ccc1OCCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL1819478
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(F)c3CCC2)c(F)c1,bindingdb_402751
+CCCCCCSc1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1Cl,CHEMBL551385
+CO[C@H](C)C(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,bindingdb_650439
+N#CC1(c2cccc(Cl)c2C(=O)n2nc(C3=CCC(C(=O)O)CC3)c3c2COCC3)CCC1,bindingdb_652814
+CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1082837
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,CHEMBL560108
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCC(O)CC3)c1Cl)n2C,bindingdb_206257
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Cc4cccc(N)c4)c(O)c3)O[C@]12C(=O)CO,bindingdb_430610
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4164682
+CCCCC(O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL186683
+COc1ccccc1C(=O)c1sccc1-c1cccc(C(F)(F)F)c1,CHEMBL4288937
+COC(=O)N1CCC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_1127521
+CC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O,bindingdb_672511
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,CHEMBL1370
+O=C(O)C(Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1,CHEMBL574607
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C4CC(O)(C(F)(F)F)C4)c4cccc(-c5ccc(OC(F)F)cc5)c4)(CC2)CC3)no1,bindingdb_1019083
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646425
+Cc1nc2nc(-c3ccccc3)cn2nc1C,bindingdb_69268
+COc1cc(CNC(=O)[C@@]2(Cc3ccc4nonc4c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407640
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CC[S@](C)(=N)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652624
+C=C[C@]12CC[C@@](C)(O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL251515
+CC(C)c1cc(Oc2c(Br)cc3c(c2Br)CC(C(=O)O)C3)ccc1O,CHEMBL203828
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,CHEMBL496
+CC(C)[C@H]1c2ncc(C(=O)NCCN3CCN(C)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123903
+Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2,CHEMBL1929039
+Cc1nnc(Oc2ccccc2F)c2ccccc12,CHEMBL1482875
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](C)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_654422
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1,bindingdb_1760
+Cc1c2c(n(C[C@H]3CC[C@H](C(=O)O)CC3)c1C)CCC(F)(F)C2,CHEMBL4163199
+COCCOCOc1cc(C)c(-c2ccc(CC(=O)O)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,CHEMBL560351
+O=C1CC(c2ccccc2O)Oc2ccc(Br)cc21,CHEMBL4290001
+CCN(CC)C(=O)CSc1nc2ncccc2[nH]1,bindingdb_112252
+CCNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(-n2cc(-c3ccccc3)nn2)s1,bindingdb_539941
+COCCn1c(C)cc(C(=O)CSc2nnc(C)s2)c1C,bindingdb_584095
+C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12,CHEMBL1082723
+CCc1cnc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017701
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCc4ccccc4C3)o2)cc1,bindingdb_672462
+CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL590098
+CCCS(=O)(=O)NC(=O)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018419
+Clc1ccc(-c2csc(N3CCOCC3)n2)cc1Cl,CHEMBL3323479
+CNc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1,CHEMBL563597
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652650
+N#Cc1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCC2,CHEMBL1601001
+CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL377508
+CC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC(C)C)cc2)CC1,CHEMBL3361033
+CCCC/C(=C\c1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)O,CHEMBL1819397
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cn3)cc12,CHEMBL3699405
+CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,bindingdb_1054260
+CN1CC(C(=O)N[C@H]2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O,bindingdb_650053
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)cc1,CHEMBL4278291
+Cc1nc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)C(=O)c1ccc(C(=O)O)cc1,CHEMBL1209003
+CC(=O)NCc1ccc(-c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)cc1,CHEMBL3263717
+CC(C)CCSc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL503687
+C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1C[C@@H](C(=O)O)C2,CHEMBL3787155
+COC(=O)CN1C(=O)SC(Cc2ccc(O)cc2)C1=O,CHEMBL2263568
+COc1ccc(-c2ccc(CN(C(=O)CC(C)(C)C)c3nccc4cc(C(=O)O)ccc34)cc2)cc1C,bindingdb_109223
+O=C(O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(F)c1,bindingdb_1018250
+COc1cc(C(=O)Nc2ccccc2C2COC(=O)C2=N)cc(OC)c1OC,bindingdb_292570
+C=C1c2ccccc2C(=O)N(C)c2ccc(N)cc21,CHEMBL2169907
+O=C(O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4ccccc4OC(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649913
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(I)cc2)c1)C(=O)O,CHEMBL526740
+O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc1,CHEMBL3601094
+O=C(O)c1cccc2nc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc12,bindingdb_1017451
+CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1,CHEMBL149791
+CCC(CC)S(=O)(=O)NC(=O)OCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_263653
+CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14538
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)C(=O)O)CC3)c1Cl)n2C,bindingdb_206398
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C2(O)CCC(F)(F)CC2)cc1OC(F)F,bindingdb_1183662
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)c(F)c1,CHEMBL3596270
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(Cl)nc1,CHEMBL202710
+O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1,CHEMBL1484998
+CCOC(=O)c1cnc(N2CCN(c3ccc(-c4nnc(C)s4)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143357
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1,bindingdb_55022
+CCCCCCCN(C(=O)Nc1ccc(F)cc1F)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL400269
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2ccc(C#N)cc2s1,bindingdb_108439
+CCC1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1,CHEMBL419019
+C[C@H]1[C@@H](O)C(C)(C)C(=O)N1c1ccc(C#N)c(Cl)c1,CHEMBL4077666
+CCCOc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672466
+COc1ncnc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)c1F,CHEMBL3905741
+Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc4c(c3)CCC4)cc21,CHEMBL4166946
+Cc1nc2c(cc1C(=O)C=Cc1ccc(Br)cc1)CCCC2,bindingdb_539994
+CCn1ccnc1Cn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168496
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)C(C)(C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL2059271
+COCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1,bindingdb_417598
+COc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407637
+Nc1ccc(S(=O)(=O)[O-])c2cccc(O)c12,bindingdb_972697
+CCN(C(=O)OCc1ccccc1)[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_649381
+COc1ccc(NC(c2ccc(C(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1OC,CHEMBL3109598
+COc1cc(N)ccc1-n1c(C)ccc1C,CHEMBL1496796
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCC4(CCOC4)CC3)c1Cl)n2C,bindingdb_206681
+Cc1ccc(C)n1-c1ccc(SCC(=O)O)cc1,CHEMBL386313
+COc1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1F,bindingdb_654806
+O=C(O)c1cc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2cn1,bindingdb_1018813
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL312717
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COCC(=O)NC)c1ccccc1,CHEMBL385546
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(OC6=CCC(=O)N=N6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL3142314
+Cc1csc(C(C#N)C(=O)c2ccncc2)n1,bindingdb_112215
+O=C(CC=Nc1ccc(F)cc1)c1cccs1,bindingdb_999911
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)c[nH]c3c2)cc1,CHEMBL1835044
+CN1CCC(O)(CNC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_653541
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccc(F)cc3C#N)c(Cl)c2)cc1,CHEMBL3609411
+O=C(O)CCn1ccnc1-c1ccccc1,CHEMBL1569996
+Oc1ccc2c(c1)CCCC(C1=CCC(F)(F)CC1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402511
+CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL4088914
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CN(C(C)=O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182975
+COc1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_650973
+O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,bindingdb_1026131
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1cccnc1Cl,CHEMBL481784
+Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)c1C,bindingdb_292609
+Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL4278678
+CCN1CC2N(C(=O)C3CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_646582
+COc1ccccc1-n1nccc1-c1ccnc(NC(N)=O)c1,CHEMBL3643653
+COc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)c(OC)c1,bindingdb_584024
+Cc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4170986
+CCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1,CHEMBL3775014
+Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1,bindingdb_999950
+CC[Si](CC)(c1ccc(NC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL2334347
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N2CC(O)C2)c(C(F)(F)F)n1,bindingdb_1130950
+O=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)C(F)(F)F)cc2[nH]1,CHEMBL3706889
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCN(C(C)=O)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54957
+O=S(=O)(NCCc1ccc(S(=O)(=O)NC(=S)Nc2ccc(Cl)cc2)cc1)c1ccccc1,CHEMBL523982
+CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(CC(=O)O)cc3)cc2)ccc(C(F)(F)F)c1O,CHEMBL3609573
+CCCCCCn1c(CCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2cccc(OC)c2)c1=O,CHEMBL359053
+Cc1ccc2nc([C@H](CC3CCNCC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1,CHEMBL4160865
+CN(C)c1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncn2C)cc1,bindingdb_1183457
+O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,CHEMBL312186
+CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL230901
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1,CHEMBL179452
+Cc1ccsc1CN=Nc1cccc(C(=O)O)c1,bindingdb_999568
+COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1,CHEMBL28211
+CNC(=O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645911
+Cc1nnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)s1,CHEMBL2426629
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271024
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2ccc(Cl)cc2F)[C@H]3C(C)C)cc1,bindingdb_271017
+CC(C)c1onc(C[S+]([O-])c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL468714
+O=C(Oc1cccc2c(O)cccc12)c1ccc(Br)cc1,CHEMBL2071182
+Cc1ncc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(CCC(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1,bindingdb_417762
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C=C/C(=O)O,CHEMBL1927476
+CCC[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL201517
+Cc1cc(-c2ccc(O)cc2)sc1-c1ccc(O)cc1,CHEMBL2332574
+CCCS(=O)(=O)N1CCC(C(=O)NCCCN(CC)c2cccc(C)c2)CC1,bindingdb_89236
+CCN(CC)c1ccc2cc(NC(=O)c3ccc(O)cc3)ccc2c1,CHEMBL4210295
+O=C(NC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596014
+C=C(COc1ccc(Cl)c(Cl)c1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL469745
+C[C@@H](n1ccc2c(Cl)c(C#N)ccc21)[C@](C)(O)C(F)(F)F,bindingdb_430605
+CCOC(=O)C1(C#N)Cc2ccc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2C1,CHEMBL1098710
+CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1,CHEMBL1331281
+C[C@]1(C(=O)O)CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3951210
+CCC(C)C(NC(=O)CCCNC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3)C(=O)O,bindingdb_35509
+CCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C,bindingdb_1000057
+Oc1ccc(C2=C(c3ccc(F)cc3)c3ccc(O)cc3C2)cc1,CHEMBL371236
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1,CHEMBL1163625
+Cn1cncc1-c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654987
+Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@H]3C[C@@H](CC(C)C)C3)c2C2CC2)c(Cl)c1,CHEMBL3314010
+CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426124
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Br)n3)cc12,CHEMBL3699416
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CC[C@H](F)C4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315066
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1,CHEMBL179622
+O/N=C/c1cc(O)ccc1-c1noc2cc(O)ccc12,CHEMBL185837
+Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1,CHEMBL1481077
+CC[C@]1(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC[C@H](C(=O)O)CC1,bindingdb_646867
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)c1cccnc1)O2)C(F)(F)F,bindingdb_653120
+Cc1sc(-n2c(C)cc(C=Nn3cnnc3)c2C)c(C#N)c1C,bindingdb_112129
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c2Cl)s1,bindingdb_649993
+CC1(C)[C@H]2CC[C@]1(c1cccc(-n3cnc(CS(=O)(=O)C[C@H]4CCC(=O)N4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651361
+OCCCOc1ccc(C2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1084913
+CC(C)Oc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)N2C[C@H](O)C[C@H](O)C2)nc1C(=O)N1CC(F)(F)C[C@@H]1C,bindingdb_645045
+COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)CC2C)c1,bindingdb_760329
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C)NC(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018246
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_999585
+CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2,CHEMBL1924001
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,CHEMBL1089634
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)O,CHEMBL236664
+COc1ccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1C(=O)NS(C)(=O)=O,bindingdb_1018806
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC3CC3(F)F)ccc2O1,bindingdb_646839
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1,CHEMBL2385726
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Br)c1)c1cc2ccccc2o1,CHEMBL1579576
+CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(-c2cncnc2)ccc1O,CHEMBL1254345
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC(F)F,bindingdb_403345
+Cc1c(N[C@@H](c2ncc(-c3ccccc3)o2)[C@H](C)O)ccc(C#N)c1Cl,CHEMBL3640854
+Cc1cc(O)ccc1-c1cc(C)c(-c2ccc(O)cc2C)s1,CHEMBL2332575
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)N1CCOC1)O2,bindingdb_645894
+C/C(=N\OCc1ccc(F)cc1)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL389297
+Oc1ccc2cc(-c3ccccc3)ccc2c1,CHEMBL191714
+COc1c(F)cc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403263
+O=CC1=C(SC2CCCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4,CHEMBL583044
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(CNC(=O)C2CC2)c(F)c1,bindingdb_18609
+Cc1cc(O)c(Cl)c2c(=O)oc3c(Cl)c(O)ccc3c12,CHEMBL204768
+COC(=O)COc1ccccc1-c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL235784
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OCC3CC3)ccc2O1,bindingdb_651039
+CS(=O)(=O)c1cccc(N2CCN(CC3(F)CCN(CC(F)(F)F)CC3)[C@@H](c3ccccc3)C2)c1,bindingdb_1143255
+CC(C)[C@@H]1CN(c2ccc(C(N)=O)c(S(C)(=O)=O)c2Cl)CCN1c1nccc(C(F)(F)F)n1,bindingdb_124668
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC(C)C)cc(OC(C)C)c2)cc1)C(=O)O,CHEMBL396154
+CC(C)(CC(O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL427554
+Oc1ccc2c(c1)SCC(c1ccc(C(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403485
+O=C(NCC1(O)CCCC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653941
+Cc1cc(=O)[nH]c2c1c(C)nn2C1CCCC1,bindingdb_112245
+CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1,CHEMBL1602295
+O=C(O)[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL2375947
+O=C1C=CC2=C3Oc4c(ccc5cc([O-])ccc45)C(c4ccccc4C(=O)[O-])C3C=CC2=C1.[Na+].[Na+],bindingdb_972718
+CCCCn1c(=O)c2c(OC)cccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1765166
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1,CHEMBL1917246
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C(F)(F)F)cc2[nH]1)C(F)(F)F,CHEMBL1911653
+CCCCCC/C=C\CCCCCCCC(=O)O,CHEMBL453509
+Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)cc1,CHEMBL1408465
+CCCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397721
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(OC(C)C)nc3)nc2Oc2c(F)cccc21,bindingdb_1054314
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)[C@H]1C[C@@H]1F)O2)C(F)(F)F,bindingdb_647944
+O=C1OCCN1[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651421
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018865
+O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc(Br)cc12,CHEMBL1488092
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(CO)CCC(N)=O)cc1F,bindingdb_651150
+CCC(C[C@H]1CC[C@]2(CC1)CC2(F)F)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_650263
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3Cl)c3c2CCCC3)cc1,bindingdb_646339
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183566
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1,bindingdb_1182968
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@H](c3ccccc3)C2)ccc1C#N,bindingdb_1004603
+Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCC2)c1,CHEMBL1092237
+O=C(O)c1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(F)(F)F)c1,bindingdb_1017979
+Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1163598
+Cc1ccc(C2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(F)ccc23)cc1,bindingdb_950133
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H]3C[C@@H](O)CC(=O)O3)cc2)cc1,CHEMBL183510
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(OC(F)(F)F)c1,bindingdb_645433
+C=CCSc1nnc2nc3c(nn12)c1cc(C)ccc1n3CC=C,CHEMBL1500691
+O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCc2ccccc21,bindingdb_584119
+COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1,CHEMBL1392806
+CS(=O)(=O)c1cccc(N2CCN(C[C@@H]3CCN(CC(F)(F)F)C3)[C@@H](c3ccccc3)C2)c1,bindingdb_1004693
+CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(OC)nc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL406439
+Cc1cc(OCC(=O)O)cc(C)c1C(CCCO)c1ccc(O)c(C(C)C)c1,CHEMBL98135
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cn(C(F)F)nc1OCCO)C[C@H](CNS(=O)(=O)CC(F)(F)F)O2)C(F)(F)F,bindingdb_645966
+C=CCOC(C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21)c1ccccc1,CHEMBL395536
+CCOC(=O)C12CC3CC(CC(NC(=O)[C@@]4(C)CCC[C@]5(C)c6cc(O)ccc6CC[C@@H]45)(C3)C1)C2,CHEMBL196335
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,CHEMBL1676
+O=C(O)c1cccc(-c2noc(C34C5C6C3C3C4C5C63COCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)n2)c1,bindingdb_1017773
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NC4CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017750
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCCC1)C(=O)CO,CHEMBL503848
+CC(C)c1cc(S(=O)(=O)c2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O,CHEMBL3261330
+CCS(=O)(=O)c1ccc(C(C)(CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)cc1,bindingdb_1127691
+Oc1ccc(-c2nn3cc(O)cnc3c2-c2ccc(O)cc2)cc1,CHEMBL185355
+COc1ccccc1-c1nc(-c2ccc(Br)o2)no1,bindingdb_672515
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)[C@H](C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL2059269
+CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)cc1,bindingdb_292625
+CC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2C[C@@H]3[C@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_648868
+CSc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1,bindingdb_539896
+CN1c2ccccc2N=C(c2ccc(C(=O)O)cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C,CHEMBL334330
+COc1nc2ccc(C(O)c3ccc(C#N)cc3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_655073
+Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,bindingdb_69274
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6ccc(N)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417642
+CCCCCCCN(C(=O)Nc1cccc(OC)c1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL400094
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)N(C)S(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018047
+Cc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1/C=C/C(=O)O,CHEMBL40614
+COC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3960267
+CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)NCCC3(O)CCCC3)c2)cc1,bindingdb_1018309
+COc1cccc(CC23CCC(=O)C=C2CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C3)c1,CHEMBL250288
+COc1cc(NCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_403650
+COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(OC)c1,bindingdb_672444
+CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647986
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc(C#N)c2)cc1,bindingdb_270522
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CNCCO)C2)cc1,CHEMBL272923
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1,CHEMBL1082118
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645922
+CC(C)CN(c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)N(C)Cc1ccc(F)cc1,bindingdb_646498
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911271
+O=C(CSc1nnc(-c2ccco2)[nH]1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,bindingdb_401891
+C=Cc1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12,bindingdb_1050231
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NC3(C)CC3)c3ccccc23)CC1,bindingdb_649122
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(F)c3)cc21,CHEMBL4164824
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c2CCCC3)c(F)c1,bindingdb_646518
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(N[C@@H](C)C(N)=O)c2)c(C)c1,CHEMBL1668081
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)O)c1,CHEMBL473952
+Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1,bindingdb_1000307
+CCc1ccc2oc(-c3cc(N=Cc4cccc(OC)c4O)ccc3O)nc2c1,bindingdb_584476
+COc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C,bindingdb_206309
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)c4ccc(C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263907
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3ccc(C)n3)c(Oc3cccc(OC(F)(F)F)c3)c2)cc1,CHEMBL3314041
+COc1ccccc1C(=O)c1scnc1-c1cccc(C(F)(F)F)c1,CHEMBL4288028
+C[C@H](NC(=O)N(CCc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961315
+CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N,CHEMBL1597805
+Cc1csc(N=NCc2ccccc2F)n1,bindingdb_999939
+CCOC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc21,CHEMBL2316562
+CC1(C(=O)Nc2nccs2)CC2c3ccccc3C1(C#N)c1ccccc12,CHEMBL474966
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cn1ccnc1,bindingdb_653970
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1,CHEMBL2407646
+Cc1cc(SC(Cc2ccc([N+](=O)[O-])cc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037584
+Cc1ccc(C(NC(=O)Cc2ccc3oc(C(O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1,CHEMBL3314024
+O=C(Nc1nccs1)c1ccc(COc2ccc(F)cc2)o1,bindingdb_982697
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(CC2CC[C@@H](C(F)(F)F)OC2)[C@H]3C(C)C)cc1,bindingdb_270993
+CCN(N=Cc1ccc(Cl)cc1)c1cc(=O)n(C)c(=O)[nH]1,bindingdb_958599
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(F)c3)[C@H](C3CCCCC3)C2)c1,bindingdb_999985
+C[C@]1(CC2CC2)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651661
+CCCN1CC(c2ccc(O)cc2)Cc2ccc(O)cc21,CHEMBL391619
+CCCn1nc(C)c(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1,CHEMBL3337730
+CC(=O)N[C@H](C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646600
+Oc1cc2c(cc1Cl)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc3c(c1)CCN3)CCO2,bindingdb_402732
+N[C@H](c1ccc(O)cc1Cl)[C@@H](N)c1ccc(O)cc1Cl,CHEMBL174131
+CC(=O)N1CCN(c2ccc(CN(CC(F)(F)F)S(=O)(=O)C(C)(C)c3ccccc3)c(F)c2)CC1,bindingdb_653496
+COc1cc(F)cc(-c2ccc3c(c2)C(C)(C)OC(S)=N3)c1,CHEMBL428513
+Oc1ccc(Nc2nc(-c3ccccn3)cs2)cc1,CHEMBL579212
+C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CSCCNC(=S)NCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C,CHEMBL540936
+CCC(Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094478
+N#Cc1ccc(N2C(=O)C3Cc4ccccc4N3C2=S)cc1C(F)(F)F,CHEMBL4090771
+CCN1CC2N(C(=O)C3(O)CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_649210
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(F)C2)C3)CC1,bindingdb_646277
+O=C1C(c2ccc(O)cc2)=C(Br)c2c(O)cc(O)cc21,CHEMBL190487
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2C(F)F)N1CC(F)(F)CO,bindingdb_401420
+Cc1ccc2[nH]c(=O)c(C3c4ccc5cccnc5c4OC(=N)C3C#N)cc2c1,bindingdb_526053
+CCCCCNS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2021930
+CCC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,bindingdb_1074196
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccn(C[C@H](O)C(F)(F)F)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650415
+CC(=O)N[C@@H](C1CC1)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646624
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc3ccccc3n2)C1=O,CHEMBL2407862
+CC(C)(O)CN1C(=O)NC(C)(CN(Cc2ccccc2)Cc2ccccc2)C1=O,bindingdb_654386
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccc(F)cc3C2)c1,bindingdb_745818
+CCOC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1C,bindingdb_401340
+Oc1coc2ccc(OCc3ccc(F)cc3)cc12,bindingdb_1004955
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccc(-c4ccon4)s2)C3)cc2ccccc21,bindingdb_108428
+Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1,CHEMBL187311
+COC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)cc1O,bindingdb_584328
+COC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL402039
+O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1704267
+CCOC(=O)c1cccc(NC(=O)c2cccs2)c1,CHEMBL1401253
+c1csc(CN2CCn3nnnc3C2c2cccs2)c1,bindingdb_650943
+O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,bindingdb_69109
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc12,CHEMBL3695816
+CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1,bindingdb_1697
+O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)N1CCN(c2ccccc2)CC1,bindingdb_112283
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC(F)(F)F,bindingdb_1184259
+COc1ccccc1C(=O)NC(=O)Nc1cccc(Cl)c1,bindingdb_999842
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)F,bindingdb_1183104
+COCc1cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)ccc1OC,bindingdb_34106
+COc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1018052
+CC(=O)N1CCN(c2cnc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cn2)CC1,bindingdb_655056
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H]2CCCC2(F)F)cc1OC,bindingdb_1183513
+C=CCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1,CHEMBL1595235
+COC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1130957
+Clc1ncn(-c2csc(N3CCOCC3)n2)c1Br,CHEMBL3323489
+Cc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3818542
+COc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2[nH]1,CHEMBL3233269
+Cc1cc(OCc2nc(-c3ccc(N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075705
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCCNS(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017695
+CS(=O)(=O)N1CC2(CN(Cc3cc(F)c(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4F)c(C4CC4)c3F)C2)C1,bindingdb_206253
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)cc1Cl,bindingdb_511713
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(C)c(F)c4)oc3C)ccc21,CHEMBL198023
+CC(=O)NC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647079
+CCCc1ccc(C(=O)ON=C(N)c2ccccn2)cc1,bindingdb_539859
+CC1(C)C(=O)N(c2ccccc2F)C(=O)c2ccccc21,CHEMBL507866
+CCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C[C@H](C)C(=O)O)c2)cc1,CHEMBL3601099
+COCCn1cnc2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_417410
+CS(=O)(=O)c1cccc(N2CCN(Cc3cccc(C(F)(F)F)c3)C(c3ccccc3)C2)c1,bindingdb_1000116
+Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(F)(F)F)cc1OCCNCCCF,bindingdb_403982
+O=C(O)c1cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(N2CC(F)C2)n1,bindingdb_1017790
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(S)CCSC(=O)CCC(=O)O,CHEMBL1207250
+COc1ccc(N2C(=O)c3ccc(O)cc3C2=O)c([N+](=O)[O-])c1,CHEMBL244971
+O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1c(F)cccc1F,CHEMBL3617296
+CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)C1c1cccnc1,bindingdb_87233
+COc1ccc(C(=O)C2CCN(c3ncnc4sccc34)CC2)cc1,bindingdb_539856
+Cc1nn(C(C)C)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168479
+CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_652278
+Cc1nccn1-c1ncnc2sc3c(c12)CCCC3,CHEMBL1334493
+CCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,CHEMBL386530
+Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4)C[C@@H]2[S+]3[O-])ccc1O,CHEMBL2031530
+Cc1onc(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1,CHEMBL3337724
+O=C(O)c1ccc(-n2nc(Sc3c(Cl)cccc3Cl)c3cc(C(=O)N4CCC4)ccc32)cc1,CHEMBL3905660
+O=c1cc(CSc2nnnn2-c2ccccc2)nc(Nc2ccc(F)cc2)[nH]1,bindingdb_17653
+Cc1cc(OCC23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c2cc(C(=O)O)cc(F)c2n1,bindingdb_1018431
+CC(C)(CCO)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4127587
+O=C(CCC(=O)c1cccs1)Nc1nnc(C2CC2)s1,CHEMBL1377527
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc(Cc3ccccc3)c(-c3ccc(S(=O)(=O)NC(C)(C)C)c4ccccc34)s2)cc1,bindingdb_648753
+COc1ccc2c(n1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4083828
+C[C@]1(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)CC[C@@H](C(=O)O)CC1,bindingdb_645580
+O=C(O)C(Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1,CHEMBL472244
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)[C@@H](C)C1)cn2C,bindingdb_646508
+Cc1cc(-c2nc(-c3cc4c(C)ccc(C)c4o3)ns2)ccc1C(=O)O,bindingdb_965489
+Cc1cc(OCc2nc(-c3ccc(OC4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075682
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCC1,bindingdb_647505
+Nc1nc2ccc(S(=O)(=O)n3c(CCCC(=O)O)cc4cc(Cl)ccc43)cc2o1,CHEMBL4095891
+C[C@H](NS(=O)(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3959591
+CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183275
+O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651758
+CCCCC/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,DB07302
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C3CC3)n2)c1)C12CC(F)(C1)C2,bindingdb_1018650
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)NCC2(F)CNC2)C3)CC1,bindingdb_649186
+Nc1[nH]nc2ncc3cc4ccccc4nc3c12,CHEMBL1489361
+CC(C)(C)NS(=O)(=O)c1ccc(-c2nc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)sc2CC2CCCCC2)c2ccccc12,bindingdb_645445
+O=C(O)CCc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccccc3)c2)cc1,CHEMBL2403509
+Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1,bindingdb_539951
+Oc1ccc2c(c1)CC[C@@H](c1ccc(F)cc1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961374
+O=c1c2ccccc2cnn1-c1ccc(Cl)cc1,bindingdb_1000039
+CCCc1nn2ccc(C(=O)NC(CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3115241
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(F)c1,bindingdb_402559
+Cn1c(=O)c(C(=O)NC2CCCCCCC2)c(O)c2ccccc21,bindingdb_1026166
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccs1,bindingdb_647126
+CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC1CCCCC1,CHEMBL3775900
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)[C@H]1C[C@@H]1F)O2)C(F)(F)F,bindingdb_650602
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCOCC1,bindingdb_645908
+CC12CCC3c4ccc(O)cc4CCC3C1CCC2O,bindingdb_1050115
+COc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)c2cncs2)cn1,bindingdb_1184162
+COc1cc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc(OC)c1,bindingdb_45524
+CCN1CC[C@H](Nc2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)C(F)(F)C1,bindingdb_646681
+C[C@@H]1CN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C[C@H]1C,CHEMBL183467
+O=C1C(c2ccc(O)cc2)=C(O)c2cc(O)cc(O)c21,CHEMBL192326
+O=C(O)Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1,CHEMBL388540
+CC[C@@]12C[C@](O)(CC)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12,CHEMBL3421872
+COc1ccccc1C=C1CCc2ccccc2C1=O,bindingdb_55604
+O=C(O)C1CC2(C1)CC(C(=O)N1CC[C@@]3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]13)C2,bindingdb_647135
+CCC(NC(=O)c1ccc2c(c1)c(SC)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL606422
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OCC(F)(F)F)ccc2O1,bindingdb_647276
+Cc1cccnc1NC(=O)COc1ccc2c(c1)CCC2,bindingdb_69076
+CC(=O)NC(C)c1nc(-c2ccc(Oc3ccccc3)cc2)no1,CHEMBL3981588
+C[C@@]1(c2ccccc2)CN(c2ncc(C#N)cn2)C[C@@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_650069
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)C)cc1OC,bindingdb_1183087
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)c(Cl)c3)n2)c1,CHEMBL1087466
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)C1CC1,CHEMBL3617303
+CC(C)(Oc1ccc(CN(CC(=O)NCc2ccccc2)Cc2ccco2)cc1)C(=O)O,CHEMBL1084549
+COc1ccc(-c2nc(COc3cccc(CN(CC(=O)O)C(=O)Oc4ccc(C)cc4)c3)c(C)o2)cc1,CHEMBL1090189
+CC(C)[C@H]1c2nc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(Cl)cn1,bindingdb_270772
+O=C(N[N-][CH+]c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cncc(Br)c1,bindingdb_401183
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(CC2CCN(CC(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_271041
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(OC(F)(F)F)cc1)CC2,bindingdb_17578
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CS(=O)(=O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183964
+Cc1ccc(S(=O)(=O)NC(=NC(=S)Nc2ccccc2)c2ccccc2)cc1,bindingdb_1000298
+Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)n1,CHEMBL1601449
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1183955
+CCC(CC)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C4CC4)ncnc3C3CC3)nc21,bindingdb_646028
+CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN(C)C)c(C)c1,CHEMBL561649
+CCCC1=C2c3ccc4[nH]nnc4c3CC2(CCC)CCC1=O,CHEMBL377848
+C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)cc1,bindingdb_1017871
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1,CHEMBL227784
+COc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1,bindingdb_91265
+N#Cc1ccc(-n2c(=O)n(Cc3cccnc3)c3ccccc32)cc1C(F)(F)F,CHEMBL2011374
+CS(=O)(=O)Oc1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1,CHEMBL487561
+Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1,bindingdb_112079
+CC(=O)NC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647069
+CCc1cccc2c(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)c[nH]c12,bindingdb_69057
+O=C(NCCS(=O)(=O)c1ccccn1)c1ccc(Cl)cc1,CHEMBL597350
+CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)cc1,bindingdb_650137
+CN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2349046
+COc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1,bindingdb_1004910
+CNc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1,bindingdb_55701
+CCS(=O)(=O)c1ccc([C@@H](COC(N)=O)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270490
+CN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830772
+C[C@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL433581
+CCCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12,bindingdb_1753
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018257
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CC[C@H](O)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263684
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cn(C[C@H](O)CO)nn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649474
+COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4099342
+COc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183908
+CC(C)(N)CC(=O)NNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_645230
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)Nc4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017744
+O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CHEMBL28626
+C=CCc1ccc(OC)c(-c2cc(C=O)cc(O)c2O)c1,CHEMBL2382126
+CC(C)CN(Cc1ccc(-c2ccc(CN)cc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263702
+C=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,bindingdb_464444
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)C(F)(F)F)cc1OC,bindingdb_1182885
+CCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C[C@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1,CHEMBL3601097
+COc1ccc2c(-n3c(=O)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1946953
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(O[C@H]2CC[C@@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206446
+CC(=N)C(C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1,bindingdb_831001
+COc1ccc(-c2nnc(SC/C(O)=C(/C#N)C(C)=N)o2)cc1,CHEMBL3189442
+C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,bindingdb_1026143
+CC1(C)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2cncs2)c(Cl)c1,bindingdb_18601
+O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cncnc32)cc1,bindingdb_651320
+O=C(O)CCCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018914
+C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765959
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)o3)[C@H](c3ccccc3)C2)c1,bindingdb_1000369
+Cc1cc(S(=O)(=O)C23CCN(C(=O)C4CCS(=O)(=O)C(C)C4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1F,bindingdb_646638
+Oc1ccc(C2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL293297
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccccc3Cl)cc12,CHEMBL3695842
+COC(=O)C1CCc2c(C3=CCC(C(=O)OC(C)(C)C)CC3)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_646260
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(OC)c1,CHEMBL3814297
+CCc1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183097
+CCc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672462
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3C#N)c(Cl)c2)cc1,CHEMBL3609410
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315052
+CC1(C)C(=O)OC[C@H]1NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_649371
+C#CC(=O)Oc1ccc(CCCCCC)cc1,bindingdb_481766
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5CC[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL266673
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(-c4ccccc4)c3)c2)c(Br)c1,bindingdb_481597
+CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL426883
+NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648309
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(F)(F)F)ccc2[nH]1)C(F)(F)F,CHEMBL1911648
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)c(F)c3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511792
+COC(=O)N1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648485
+CCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168395
+CC1(C)OC(S)=Nc2ccc(-c3cc(Cl)cc(C#N)c3)cc21,CHEMBL25036
+CN1C[C@H](O)[C@@H](n2/c(=N\C#N)[nH]c3cc(/C=C4\c5ccccc5COc5cc(F)ccc54)ccc32)C1,CHEMBL4067668
+CCCc1cccc(S(=O)(=O)C2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)c1,bindingdb_654538
+O=C(NCC1CCOCC1)[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651087
+COc1ccc2c(c1)C[C@@H](Sc1ccc(OCCN3CCCCC3)cc1)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL1627361
+Cc1cc(F)ccc1-c1c(Cc2ccc(/C=C/C(=O)O)cc2)c2ccc(N)cc2oc1=O,CHEMBL3427502
+CN(/N=C/c1cccnc1)c1cnc2ccccc2n1,bindingdb_672594
+Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc12,CHEMBL204922
+COc1nn2c(c1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCCC2,bindingdb_652186
+CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl,CHEMBL4215742
+CN1C(=O)[C@@H](F)C[C@H]1C(=O)N1CCC2(S(=O)(=O)c3ccc(Cl)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_654380
+CCOc1ccc(-c2cccc(N(CC34CCC(c5noc(C6(C)CC6)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017792
+CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(C3CC3)cc2C1=O,bindingdb_1127405
+CCCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)O,CHEMBL377898
+CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,CHEMBL489584
+Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O,CHEMBL234660
+CCCCCCCCCCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3805385
+O=C(O)Cn1ccc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc21,CHEMBL231689
+CCCCN(O)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL3735187
+Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2,CHEMBL2070092
+Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(OCCCO)cc12,CHEMBL3287136
+COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(Cc3ccccc3)C2=O)c1,CHEMBL2407663
+CCOC(Cc1ccc(OCCCN2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)O,CHEMBL489591
+COc1cccc(-c2ccc3c(c2)C(C)(C)OC(S)=N3)c1,CHEMBL28255
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CCC(F)(F)F)cc1OC(F)F,bindingdb_1182913
+Oc1ccc2cc(-c3ccccc3O)ccc2c1,CHEMBL195058
+CC(C)(O)CNC(=O)C1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_650202
+CCOC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4082698
+CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C,bindingdb_1183827
+O=C(CSc1ccccn1)c1ccc2c(c1)OCO2,bindingdb_982705
+C[C@](O)(Cn1cc(-c2ccc(F)cc2)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_476008
+Oc1ccc2c(c1)CCCC(c1ccc3c(c1)CCCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401140
+CC(C)C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)c(O[C@@H]5CCOC5)c4)cc23)CC1,bindingdb_654333
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOC4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)NCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL414318
+Cn1c2c(c3ccc(O)cc31)CCSc1ccccc1-2,CHEMBL210570
+Cc1c(C#N)ccc(C(O)(C(C)C)C(F)(F)F)c1C,CHEMBL3819417
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCOCC5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263731
+CCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1,CHEMBL379057
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018701
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCNC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263894
+OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3cccc(Cl)c3)cc2c1)c1cncs1,bindingdb_1183657
+O=C(O)c1ccc(-c2noc(C34CCC(/C=C\c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1018466
+CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4086897
+Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ncccc32)C(F)(F)F)c(C)c1,CHEMBL3093455
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)nc4)c4ccc(O)cc4CCC3)ccc2N1,bindingdb_403423
+N=C(Nc1ccc(I)cc1)NC12CC3CC(CC(C3)C1)C2,CHEMBL299499
+Cc1c(-c2ccc(C#N)cc2)c(C#N)cn1Cc1cnc(Cl)c(CO)c1,CHEMBL1934447
+CC(=O)N1CCC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CC1,bindingdb_123973
+CC(C)c1nc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1,bindingdb_1017625
+C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12,DB01564
+O=C(O)CCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1,CHEMBL331916
+CCC(NC(=O)c1ccc2c(ccn2C(=O)c2ccccc2)c1)c1ccccc1,CHEMBL3678101
+ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl,CHEMBL1391
+Cc1ccc(CN(C(=O)c2cc3ccccc3[nH]2)C(C)C)o1,CHEMBL3318061
+Cc1cc(OCc2cc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2)ccc1OCC(=O)O,CHEMBL377695
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cc(C)cc(C)c1)O2,CHEMBL293452
+COc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1,CHEMBL237085
+CCc1cc(C(CC)(CC)c2ccc(O)c(CC)c2)ccc1O,CHEMBL2403360
+CCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426115
+CC[C@@H]1c2ccc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271219
+CS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270660
+COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C,CHEMBL1407268
+Nc1c(C(=O)NCC(O)(CC2(C3CCCC3)CCCc3ccccc32)C(F)(F)F)cnn1-c1ccc(F)cc1F,CHEMBL235205
+c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1,bindingdb_999704
+O=C([O-])CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F,bindingdb_122665
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C,bindingdb_645510
+CCCc1c(OCCCN2C(=O)Cc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12,CHEMBL207690
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760412
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1c(C)n[nH]c1C,bindingdb_654495
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cccc5ncccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_647611
+CC(O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,CHEMBL376323
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc2Br)ccc1O,CHEMBL391512
+CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,DB00912
+O=C(N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_652113
+Cc1ccc(NN=C(C#N)C(=N)N2CCCCCC2)cc1,bindingdb_999966
+CC#C[C@]1(O)CCC2C3CCC4CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL433964
+COc1ccc(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CCC45CCCC5=O)[C@@H]4CCC5=CC(=O)CCC5=C43)cc2)cn1,CHEMBL260330
+COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(C)=O)O2)C(C)=CC(C)(C)N3,bindingdb_417798
+Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(C)(=O)=O)c1,CHEMBL2153843
+NS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC[C@@H](C(F)(F)F)C3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1130726
+COC(C)(C)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646389
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6cccc(OCCCCP(=O)(O)O)c6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_417628
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)O)c2)cc1,CHEMBL185125
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1CO,bindingdb_648021
+Fc1ccc(-n2ncc3cc(-c4ccccc4C(F)(F)F)ccc32)cc1,CHEMBL1084388
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2cccn2)cc1,CHEMBL605088
+CC1CCN(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CC1,bindingdb_649764
+O=c1c2ccccc2cnn1-c1nc2ccccc2s1,bindingdb_583994
+C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL387850
+Cc1ccccc1-c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL235379
+CCOC(CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230177
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(O)C3)c(F)c1,bindingdb_646344
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C3)cc2ccccc21,bindingdb_999685
+CCc1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N(CC)CC,CHEMBL3901588
+O=S(=O)(c1ccc(F)cc1)[C@@]12CCN(c3cnccn3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_645501
+CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)[C@@H](C)C1,bindingdb_647218
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)c3c(F)cccc32)cc1,bindingdb_206415
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL3666804
+CN(c1ccc(C(O)(Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070346
+CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)CC1,bindingdb_988972
+COc1nc2ccc([C@@](O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1,bindingdb_653035
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)nc1,bindingdb_206228
+CCCc1cc(-c2nc(CC)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL373813
+COC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1,CHEMBL3360968
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(c2ncc([C@H](C)O)c(C(F)(F)F)n2)[C@H]3C(C)C)cc1,bindingdb_1127600
+Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)o2)s1,bindingdb_1004934
+COc1cccc(CCc2ccnc(NC(N)=O)c2)c1,CHEMBL3639425
+Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2ccc(Br)cc2)o1,CHEMBL1418370
+Cc1ccc([C@@](O)(c2ccc3nc(N4CCC4)c(CC(F)(F)F)c(Cl)c3c2)c2cnnn2C)c(C)n1,bindingdb_653394
+CCC1(CC)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL277422
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,CHEMBL242812
+Cc1cc(O)ccc1-c1c[se]cc1-c1ccc(OCCN2CCCCC2)cc1C,CHEMBL4288951
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c2c(Cl)csc12,CHEMBL3640907
+NC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1,bindingdb_672442
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2nncn2c1,CHEMBL2426153
+Cc1c(/N=C2\N(C)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL519169
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2o1,CHEMBL1940689
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OCC(Cl)(Cl)Cl)ccc2O1,bindingdb_652071
+CC(C)(C(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054289
+O=c1c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c2cc(F)ccc2n1CCC1CC1,CHEMBL372357
+O=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O,CHEMBL413699
+Cc1ccc(OC(C)(Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)cc1,CHEMBL366138
+CCCc1cc(C(=O)CC)cc(CCC)c1O[C@@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL434935
+Cc1nn(Cc2nccn2C(C)C)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168554
+Cc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1C,CHEMBL389607
+O=C(NCCO)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_647850
+C[C@@H](COc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)N1CCCC1,CHEMBL198803
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL428037
+CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(=O)NC,CHEMBL4170881
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN(C)C)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3828422
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183991
+CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2cccc(C)c2C)s1,CHEMBL3212046
+CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C)cc1,CHEMBL422607
+Cc1nc2ccc(-c3cncc(N(CC45CCC(c6noc(C(C)(C)C)n6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1017621
+CC(C)(C)c1cc(-c2sc(C(=O)NCC3(C(N)=O)CCOCC3)nc2CC2CCCCC2)cc(C2(C)CC2)c1,bindingdb_653985
+O=C(O)c1cc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)ccc1F,bindingdb_1018836
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB00846
+O=C(C1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_653633
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2Cc2ccccc2)c2ccccc12,bindingdb_652141
+Cc1ccc(C(=O)CC(Nc2cccc([N+](=O)[O-])c2)c2cccc(F)c2)cc1,CHEMBL1164339
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccc(F)cc1,bindingdb_417478
+COc1c(C(=O)Nc2ccc(C(C)C)cc2)cnc2c1ccn2C,bindingdb_18586
+CCOC(=O)N1C[C@H](C(=O)O)[C@@H](c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)C1,CHEMBL3398428
+C[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018755
+COC(=O)C1(NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCS(=O)(=O)CC1,bindingdb_645919
+Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)O)cc12,CHEMBL3397340
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,bindingdb_961336
+C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,bindingdb_430562
+C[C@@]1(c2ccc(Sc3ccc(N)cc3)cc2)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_430646
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017869
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1Cl,bindingdb_998088
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)O)cc3)ccc21,CHEMBL1911159
+CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccccc3)C2)cc1,bindingdb_652552
+Cc1cc(F)ccc1-n1nccc1-c1ccnc(NC(N)=O)c1,CHEMBL3643656
+Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1,bindingdb_100135
+Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(C#N)CC3)c1Cl)n2C,bindingdb_206588
+CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349029
+CCC/C=C\C#C/C=C/C(=O)CCCCCCCC(=O)O,CHEMBL1956877
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2C#N)N1CC(F)(F)F,bindingdb_402417
+CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1,CHEMBL3189940
+O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl,CHEMBL294209
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(OC)c1,CHEMBL551185
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3F)cc12,CHEMBL3699426
+COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC,CHEMBL1380975
+CCC(C(=O)Nc1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL601861
+CCn1nc(C(=O)NC[C@]2(N)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184294
+CN1C[C@@H](N(Cc2ccc(F)cc2F)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL564479
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(C4(O)COC4)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650035
+CN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C,CHEMBL184759
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1c[nH]cn1,bindingdb_652214
+Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C,bindingdb_651630
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccc(CNS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648592
+CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1,CHEMBL3915620
+Cc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1,CHEMBL1357156
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC(F)(F)F)[C@@H]3Cc2ccccc2)cc1,bindingdb_270701
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1081763
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O,CHEMBL2407673
+CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)N(C)O,bindingdb_949608
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccccn1,CHEMBL583859
+CC(F)(F)CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CN(C[C@@H](F)C(C)(C)O)C3=O)CC1,bindingdb_1127526
+O=C(O)c1cccc2c1NC(c1cccc([N+](=O)[O-])c1)C1CC=CC21,CHEMBL1372161
+O=c1c2c(O)c(I)c(O)cc2ncn1-c1ccc(O)cc1,CHEMBL206287
+CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1,bindingdb_539786
+COc1ccc2c(-n3c(=O)n(Cc4ccccc4[C@@]4(C)OC(=O)NC4=O)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1947138
+CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(Br)cc2)cc1)C(=O)O,CHEMBL86688
+Cc1cc(Oc2cccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)O,CHEMBL235143
+CC(C)C[C@@H](c1nc2ccc(C(=O)O)cc2n1C)N1CCN(c2ccc(Oc3ccccc3)cc2)C1=O,CHEMBL4064817
+CCC(C)(C)n1nnnc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1,bindingdb_292626
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC)cc3)C[C@@]21C,CHEMBL490088
+C[C@@]12C(=O)Nc3ccc(Cl)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1,bindingdb_672651
+CN1CCC[C@H]1CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4170306
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(F)(F)F)c(C(N)=O)n1,bindingdb_1143392
+CC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl,CHEMBL3093463
+C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1,CHEMBL1254922
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC(O)(CC)CC)CC[C@@H]23)C[C@H]1O,3vrv
+CCCCCC/C=C(\CCCCCCCC(=O)O)[N+](=O)[O-],CHEMBL560513
+Cc1cccc2c(C(=O)c3c(Cl)cccc3Cl)cn(-c3ccc(C(=O)O)cc3)c12,bindingdb_651241
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(C)c2OCC1,bindingdb_402162
+COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c(OC)c1,bindingdb_69144
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CCC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183602
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(Cl)cc4)oc3C)c2)cc1,CHEMBL1089210
+Oc1c(C(c2ccccn2)N2CCOCC2)ccc2cccnc12,CHEMBL1530097
+N#Cc1ccc(C2=NOC3CCCCCC23)cc1C(F)(F)F,CHEMBL2159561
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)Oc3ccccc3)C2)c1,CHEMBL255309
+CCOC(=O)C1C(C)=NC(SCC(=O)O)=NC1c1ccccc1,bindingdb_112107
+c1ccc2c(c1)Nc1ccccc1S2,DB11447
+Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)n1,bindingdb_69210
+Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(Br)n2)cc1,bindingdb_1026144
+C#CC(O)(c1ccc2nc(OC)c(Cc3ccc(C(F)(F)F)cc3)c(Cl)c2c1)c1cnc(C)n1C,bindingdb_647455
+COCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL3094374
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCCN(c2ccccc2C(=O)O)C1,CHEMBL1934474
+CCCCCCOc1cccc(C(=O)CCN(C)C)c1,CHEMBL551710
+C=CCn1nc(-c2ccc(O)cc2C)c2cccc(C(F)(F)F)c21,CHEMBL222522
+CC(=O)Nc1cn2nc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)ccc2n1,bindingdb_1018942
+COC(=O)c1cc2ccc(OCCc3nc(-c4cccc([N+](=O)[O-])c4)oc3C)cc2oc1=O,CHEMBL478897
+C[C@@H]1c2c(ccc(O)c2F)O[C@@H](c2ccc(OC[C@H](C)N3CCC[C@H]3C)cc2)[C@H]1c1ccc(O)cc1,CHEMBL181248
+CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(NCS(C)(=O)=O)cc3)cc2)CC1,bindingdb_401461
+N#Cc1ccc(C(O)(c2cocn2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3818224
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C#N)cccc2[nH]1)C(F)(F)F,CHEMBL1911644
+CCCCC/C=C(\C/C=C\CCCCCCCC(=O)O)[N+](=O)[O-],CHEMBL554608
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1,bindingdb_511456
+CCC(C(=O)O)C1CCc2cc(OCCNC(=O)c3ccccc3)ccc21,CHEMBL201632
+COC(=O)c1ccc(CSc2ncnc3c2oc2ccccc23)o1,CHEMBL1370794
+O=C1C=C2CCN(S(=O)(=O)c3ccc(N4CCOCC4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247604
+CCOc1c(OC)nc2ccc([C@@](O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl,bindingdb_649734
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc2ccccc2c1,CHEMBL186948
+CC(C)(Cc1nnc(-c2nc(Cc3ccc(F)cc3)c(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C(F)F)s2)o1)C(=O)O,bindingdb_645730
+O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL4102861
+CCCc1c(OCC(C)COc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL197738
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cn2)N1CC(F)F,bindingdb_401615
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,CHEMBL290106
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCC3)nc2CC2CCC2)c(Cl)c1Cl,bindingdb_645085
+CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801007
+CC(=O)c1ccc2c3c(cccc13)C(=O)N(CCc1ccccc1)C2=O,bindingdb_672380
+C[C@](O)(CBr)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL3985160
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CC(=O)O)O2,bindingdb_646365
+C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@@](O)(C(N)=O)C(F)(F)F)s1,CHEMBL2323021
+CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2)C1=O,CHEMBL189532
+CCOc1ccc(-c2cccc(N(CC34CCC(c5noc(C(F)F)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017718
+CCn1cc(-n2ncc3cc(O[C@H](c4ccccc4)[C@H](C)NC(=O)C(C)(F)F)ccc32)ccc1=O,CHEMBL4215390
+CCC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21,bindingdb_953927
+O=C(O)c1cc([C@@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(F)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017770
+CC1(C)C(=O)N(c2ccc(C#N)c(F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)cc1,bindingdb_511761
+CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,CHEMBL1267
+c1csc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)c1,bindingdb_999790
+CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NC[C@@H]12,bindingdb_650880
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn([C@H]4C[C@H](O)C4)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649613
+Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCCC3)cc2Cl)c(Cl)c1,CHEMBL192432
+Cn1cc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)cn1,bindingdb_1183010
+CS(=O)(=O)c1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1,CHEMBL513735
+COCC1CCN(Cc2nc(-c3cccs3)no2)C1,bindingdb_1000250
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCCC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264924
+CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL372412
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(F)cc4)oc3C)c2)cc1,CHEMBL1089164
+COc1ccc(Cl)c(-c2noc(C(C)C)c2COc2ccc(-c3ccc4c(C(=O)O)cn(C)c4c3)c(C)c2)n1,CHEMBL466887
+Cc1ccc(-c2nc3cc(C)ccc3o2)cc1,bindingdb_1000376
+OCCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,bindingdb_1004927
+CN(C)c1ccc(C2c3nnnn3CCN2Cc2ccccc2)cc1,bindingdb_647617
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc2cnccc2c1,bindingdb_511716
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(-c3ccccc3)ncc2[nH]1)C(F)(F)F,CHEMBL3358925
+O=C(O)C1CCN(C(=O)C2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651250
+CCCCO/N=C(\C)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL230705
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cc1ccon1,bindingdb_654293
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CC2)c2ccccc12)C(F)(F)F,CHEMBL4129034
+O=C(CSc1[n-]c(=O)cn[nH+]1)Nc1cccc([N+](=O)[O-])c1,bindingdb_1695
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3COC3)cc2C1=O,bindingdb_1127559
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2,CHEMBL3763550
+O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccc(-c2ccccc2)cc1,CHEMBL458775
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3[C@H](C)c2cccc3c2OC(F)(F)O3)cc1,bindingdb_270684
+COc1ccc([C@H]2CC[C@H](CN(c3cc(-c4cnn(C5CC5)c4)ccn3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)nc1C#N,bindingdb_1017907
+Oc1ccc2c(c1)OCCC(c1ccc(Cl)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401057
+CCCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1,CHEMBL3905419
+Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1,bindingdb_108533
+C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(CC5COc6ccccc6O5)nn4)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2326068
+CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL496593
+C[C@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL359671
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc([C@H](C)O)c(C(F)(F)F)n1,bindingdb_1130771
+CC(CO)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965664
+CC(C)c1cc(Oc2c(Cl)cc(N[C@H](C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965614
+C=C(C)C[C@@](O)([C@@H](Nc1cccc2c(=O)[nH]ccc12)c1cc(Br)ccc1O)C(F)(F)F,CHEMBL4072079
+CC(C)(CNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426127
+O=C(/C=C/c1ccccc1O)c1cc(I)ccc1O,CHEMBL4294564
+CCc1ccc(-c2ncc(CC)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,CHEMBL240437
+C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)cc1,bindingdb_1017501
+CC1(C(=O)O)CCC[C@]2(C)c3cc(OC(=O)[C@@]4(C)CCC[C@]5(C)c6cc(O)ccc6CC[C@@H]45)ccc3CC[C@@H]12,CHEMBL364012
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2)N1C[C@H](F)CF,bindingdb_400927
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646002
+O=C(Nc1ccc(C(F)(F)F)cc1)c1ncc2c(cnn2-c2ccccc2)c1Cl,bindingdb_18552
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4ccccc4C(F)(F)F)noc3C3CC3)sc2c1,bindingdb_1018753
+CN(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349031
+CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1,bindingdb_654044
+O=C(NS(=O)(=O)[C@@H]1CCC[C@H]1O)c1ncc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018084
+CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1,6i61
+Cc1cnnn1-c1ccc(C(=O)CCl)cc1,CHEMBL1419252
+CC(=NC1CCCC1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O,bindingdb_1004941
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)CC3CCC3)C(C)(C)C1)cn2C,bindingdb_648788
+CC1CN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC(=O)N1,bindingdb_647372
+Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1Cl,CHEMBL426085
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F,CHEMBL3358924
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C#Cc2ccccc2)C(F)(F)F)cc1,CHEMBL396953
+COc1nc2ccc([C@@](O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,5w4r
+CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(S(C)(=O)=O)cc1)c1ccccc1,CHEMBL1825120
+CCc1cc(N[C@H](C)C(F)(F)F)ccc1-c1c(Cl)c(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)nn1CC,bindingdb_1184396
+Cc1cc(OC/C=C\C(C#Cc2ccccc2)c2ccccc2)ccc1OCC(=O)O,CHEMBL234484
+O=C(NC1CCCCC1)C(c1ccncc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21,CHEMBL1642353
+COc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)c1,CHEMBL221438
+CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL2179251
+Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1cccc(Cl)c1,CHEMBL250302
+Nc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1,CHEMBL2386399
+O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059696
+COCCOCOc1cc(C)c(-c2ccc(/C=C/C(=O)O)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,CHEMBL564563
+Cc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2cccc(Cl)c2)no1,bindingdb_87246
+Oc1ccc([C@@H]2Oc3cc(O)ccc3[C@@H]3CCC[C@@H]32)cc1,bindingdb_1157679
+COc1ccc(F)cc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_649874
+CON(C)C(=O)c1cnc(N2CCN(c3cc(F)c(CO)c(S(C)(=O)=O)c3)C[C@H]2c2ccc(F)cc2)nc1C(F)(F)F,bindingdb_1130715
+CC(C)[C@@H]1CN(c2ccc(-c3nc(C(N)=O)co3)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1143406
+Oc1ccc2c(c1)CCCC(c1ccc(N3CCCCC3)c(F)c1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401719
+O=C(O)C1CCN(C(=O)[C@H]2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651249
+Cc1ccc(C)c2oc(-c3nnc(-c4ccc(C(=O)O)c(F)c4)o3)cc12,bindingdb_965529
+Cc1cnc(-c2ccc(C(C)(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL239561
+Oc1ccc(-c2cc3cc(O)cc(Br)c3o2)cc1,CHEMBL183782
+CCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1,CHEMBL3985281
+Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)on2)ccc1OCC(=O)O,CHEMBL259873
+O=C(O)c1cc(C(F)(F)F)cc2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018833
+Cc1cc(Cl)ccc1CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2381196
+CN1C(=O)[C@H](O)C[C@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649243
+CC(c1ccncc1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,CHEMBL3313932
+CN(C)CCOc1ccc(/C(=C(/CCC#N)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL204970
+Cc1cc(OCc2nc(-c3cncnc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1082117
+Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1CCC(=O)O,bindingdb_401245
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]([C@H](C)NC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645732
+CCCc1c(OCCCn2nnc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12,CHEMBL208567
+CCCCCCC1=C(c2ccccc2)[C@]2(OCc3ccccc3)CCC[C@@H]2C1,CHEMBL1765932
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCCC(F)(F)F)cc1OC,bindingdb_1183840
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3F)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL233249
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C(=O)O)c3)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105680
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3C(F)(F)F)c(F)c2)CC1,bindingdb_654202
+CCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,CHEMBL3105808
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F,CHEMBL392500
+Cc1c(NCCNCCCF)ccnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402839
+Cc1ccc(N=Nc2c(C)[nH]n(C(N)=S)c2=O)c(C)c1,bindingdb_999637
+Cc1cc(-c2nc3c4c5c(sc4nc(=O)n3[nH]2)CCC5)c(C)o1,bindingdb_830925
+Cc1c(Cl)cccc1NC(=O)N1CCCN(c2nc(-c3ccccc3)ns2)CC1,bindingdb_539815
+Cc1cccc(CN2CCn3nnnc3C2c2ccc(N(C)C)cc2)c1,bindingdb_652759
+CC(=O)N1CCC(OC(N)=O)(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC1,CHEMBL3634611
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1[N+](=O)[O-],CHEMBL2349050
+C[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1182890
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183587
+COc1ccc2c(c1)c(Cc1ccccc1OC(C)(C)C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL179604
+CC(c1ccccc1Cl)N(C)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_989001
+O=C(O)COc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757591
+O=C(CSc1ccc(-c2cccs2)nn1)N1CCCCC1,CHEMBL1391254
+C[C@]12CC[C@@H]3c4cc(Cl)c(O)cc4CC[C@H]3[C@@H]1CCCC2=O,CHEMBL1081361
+CC1(C)C(=O)N(c2ccc(C#N)c(F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)c(F)c1,bindingdb_511784
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(=O)NS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OCC(C)(C)C)cc21,bindingdb_647386
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3cccc(C(F)(F)F)c3)c2)cc1,CHEMBL3109234
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,CHEMBL1578520
+Cc1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182988
+O=S(=O)(/N=C(/Sc1ccccc1)c1ccccc1)c1ccccc1,CHEMBL1999723
+CCOCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,bindingdb_292623
+C/C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1,CHEMBL3775016
+CCn1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1,bindingdb_1184237
+Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12,CHEMBL363200
+Cc1cc(-c2noc(-c3cc4c(Cl)ccc(Cl)c4o3)n2)ccc1C(=O)O,bindingdb_965515
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)CCc4cccc(Cl)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017903
+CC(C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)cc1,bindingdb_17572
+COc1ccc(CN2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247231
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652230
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCC(C)C)c1)CCC2,CHEMBL2312279
+Cc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@@](O)(C(=O)O)c2ccccc2C(=O)c2ccccc2)cc1,CHEMBL2282517
+C(=Cc1c[nH]c2ccccc12)c1nccc2ccccc12,bindingdb_672657
+CCCCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O,CHEMBL3114119
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](OC)C[C@@H]12,CHEMBL4163928
+CCCCCCCCCCCCCCCCCCCCCC(=O)O,CHEMBL1173474
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_401700
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)nc1,bindingdb_271236
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CSC)C(=O)O)c3ccccc3)cc2S(=O)(=O)N1,bindingdb_846266
+O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl,CHEMBL2338483
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C(C)(C)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_648016
+OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F,CHEMBL384246
+CC1(C)CCC(C)(C)c2cc(-c3ccc4cc(C(=O)O)ccc4c3)ccc21,CHEMBL25361
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(C(F)(F)F)c1,bindingdb_476150
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@@H](C)C2CC2)cc1OC,bindingdb_1183107
+COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(F)cc4)oc3C)cc2oc1=O,CHEMBL514713
+CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1,CHEMBL4093428
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCCCC2)c2ccncc12)C(F)(F)F,bindingdb_646164
+COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(OC(F)(F)F)ccc43)noc2c1,CHEMBL1946756
+C[C@@H](O)[C@@H](C)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1,bindingdb_1184124
+CC(C)N(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988779
+O=S(=O)(Cc1ccccc1)Nc1ccc(Oc2ccccc2)cc1,CHEMBL3942112
+Cc1ccc(C(N)=NOC(=O)c2cccs2)cc1,bindingdb_999697
+CCn1cc(S(=O)(=O)N2C[C@@H]([C@@H](O)C(F)(F)F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645598
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640841
+CCCCCS(=O)(=O)NC(=O)CCc1cc(C(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl,CHEMBL1933834
+CCn1c(C[C@H]2CC[C@H](C(F)(F)F)CC2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206243
+CO[C@](C)(c1cccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL566818
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(Cl)c23)c(F)c1,bindingdb_653306
+CC(C)c1cc(Oc2c(Br)cc(CCC(=O)O)cc2Br)ccc1O,bindingdb_481682
+O=C(CSc1nnc(Cn2nnc3ccccc32)o1)N(Cc1ccc(F)cc1)c1ccccc1,bindingdb_584234
+Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)c(=O)[nH]c12,bindingdb_112199
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CO2,bindingdb_1018829
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270625
+O=C(O)C1CC2(C1)CC(C(=O)N1CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C1)C2,bindingdb_650921
+Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1,bindingdb_55534
+CC1(C)C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c21,CHEMBL4092066
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C#N)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_653218
+N=C(NC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1nc2ccccc2o1,CHEMBL1325081
+Cc1cccc(C)c1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL2312711
+OC(Cc1ccnc2ccccc12)(CC1(C2CCCC2)CCCc2ccccc21)C(F)(F)F,CHEMBL236855
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4NCC23)CC1,bindingdb_647164
+Nc1cccc2c1C(=O)N(CCOc1ccccc1F)C2=O,bindingdb_999806
+COc1ccc(C(NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1,bindingdb_69219
+Cc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,CHEMBL1093532
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CN1CC(O)C1)O2)C(F)(F)F,bindingdb_648116
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H](C)C(C)C)c2=O)nc1,bindingdb_645763
+O=C(O)c1csc(-c2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2)n1,bindingdb_1017428
+Cc1ccc(C)c2oc(-c3noc(-c4ccc(C(=O)O)c(F)c4)n3)cc12,bindingdb_965521
+CC(C)(C)OC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650863
+Cc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(F)cc1F,bindingdb_651404
+Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,CHEMBL3335670
+CCc1ccc(CN(C)C(=O)c2cc(COc3cccc4cnccc34)on2)cc1,bindingdb_539804
+O=C(NCc1ccccc1)c1cc2c(n1Cc1ccccc1)CN(S(=O)(=O)c1ccccc1F)CC2,bindingdb_846253
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COCC(=O)N(C)C)c1ccccc1,CHEMBL215129
+Cc1cc(OC(F)(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_402745
+CC(C)(C)[C@@H](CO)NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_648323
+CC(=O)N1CCC(C(=O)N2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_647187
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C(=O)NC)c1ccccc1,CHEMBL215154
+COc1cccc2c1-c1ccc3c(c1C(C1C=CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL264560
+COc1ccc(C#CC(/C=C\CSc2ccc(OCC(=O)O)c(C)c2)c2ccc(-c3ccccc3)cc2)cc1,CHEMBL231696
+Cn1cc(Cl)c(C(=O)Nc2nc3ccccc3s2)n1,bindingdb_672342
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1,CHEMBL4072529
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1184004
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(NCCNCCCF)cc2F)N1CC1(F)COC1,bindingdb_403814
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccsc3)oc2C)cc1)C(=O)O,CHEMBL1813009
+Cc1c(-c2ccc(O)cc2)n(CCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)c2ccc(O)cc12,CHEMBL3823426
+COc1cc(C(=O)O)cc2sc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(F)cccc5F)noc3C3CC3)C4)nc12,bindingdb_1018442
+FC(F)(F)c1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1,CHEMBL4070813
+O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCCC2)o1,bindingdb_999548
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(O)Cc3ccccc3)c1)CCC2,CHEMBL2312265
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206418
+CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O,bindingdb_539961
+CC(C)CNC1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650994
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)F)n1,bindingdb_651837
+CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1,CHEMBL3903419
+CCCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O,CHEMBL3764948
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccc(F)cc1,CHEMBL311662
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(CC#N)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648597
+N[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648703
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054285
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCCC2)cc1C(F)(F)F,bindingdb_1182969
+COc1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccccc32)cc1,CHEMBL198605
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n(CC3CCCO3)c2=O)nc1,bindingdb_646460
+CCCCOc1ccc(-c2c(C)ncc(C(=O)O)c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL1254756
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(C)(C)F,bindingdb_400891
+O=C(c1ccc(N2CCN(C3CCCC3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL366928
+C/C(=C\c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)C(=O)O,CHEMBL4102660
+CCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc1,CHEMBL3601095
+CCCCCCC(Sc1nc(Cl)cc(NCCCC(=O)NCc2ccccc2C(F)(F)F)n1)C(=O)O,CHEMBL3818976
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)C3CC3)ccc2O1,bindingdb_649461
+Clc1ccc(CN(Cc2cccnc2)Cc2cc3ccccc3s2)cc1,CHEMBL2381210
+O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NCc1ccco1,CHEMBL1478743
+COc1ccc(C(O)(c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncn2C)cn1,bindingdb_1183453
+CN(C)C(=O)c1ccc2c(N3CC[C@@H](C(=O)O)[C@@H](O)C3)nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1,bindingdb_998317
+CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1,bindingdb_999547
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CCC(C)(C)O)c2)c1,CHEMBL604582
+CC[C@H](NC(C)=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645252
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](CC(=O)O)O2,bindingdb_646360
+CCc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)ccc1F,CHEMBL3902474
+COc1cc(O)c(Cl)c2cc(-c3ccc(O)cc3)oc12,CHEMBL361258
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43/C=C\F)C1CC[C@@H]2O,CHEMBL202007
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CN1CCOCC1)O2)c1c(Cl)cccc1Cl,bindingdb_998307
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C5CCCCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018214
+COc1ncc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403074
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@H](CC(C)(C)C(=O)O)[C@H]2C)c(Cl)n1,bindingdb_646998
+COc1ccc2cc(-c3ccc4c(c3)CC(NS(=O)(=O)c3ccccc3)C4)n(C(=O)OC(C)(C)C)c2c1,bindingdb_1000341
+CCOC(=O)c1c(N)sc(C(=O)Nc2ccc3c(c2)OCO3)c1C,bindingdb_69226
+COc1ccc(C(=O)Nn2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)cc1,bindingdb_584082
+Cc1oc(-c2cccc[s+]2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL2237301
+CCOC(=O)c1sc2nc3c(cc2c1N)COC(C)(CC)C3,bindingdb_1000140
+CC(=O)c1cc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)ccc1O,CHEMBL1801003
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC3(C(F)(F)F)CCC3)cc2C(F)(F)F)s1,bindingdb_1183506
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCC(F)(F)F)cc1OC(F)F,bindingdb_1184149
+COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1,CHEMBL234659
+C[C@@H]1[C@H](CNS(C)(=O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N1S(=O)(=O)c1cn(C(F)F)nc1OCCO,bindingdb_645468
+O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,bindingdb_598218
+C=CC(=O)Oc1ccc(CCCCC)cc1,bindingdb_481779
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3-c3ccccc3)cc21,CHEMBL382472
+COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)ccn1,CHEMBL3913348
+O=C(O)c1cc(F)c2nc(N3C[C@H]4C[C@@H]3[C@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1017395
+Cc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3645271
+Cc1c(CC(=O)NCC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3126377
+CC(C)CCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017537
+CCOc1sc(C(F)(F)F)nc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_646670
+CN(C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1)c1ccccn1,bindingdb_649456
+C=C(c1ccccc1)[C@@]12C[C@H](O)C[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765964
+Cc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1,CHEMBL496727
+O=C(Cc1ccncc1)N[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648202
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccn1,bindingdb_651827
+CCCCOc1ccc(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL427071
+COc1cc(-c2nc3ccccc3s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL424939
+O=C1C[C@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CN1,bindingdb_649520
+O=C(O)c1cc(-c2noc(C34CCC(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)(CC3)CC4)n2)ccn1,bindingdb_1018611
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cncc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_650541
+C[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2,CHEMBL379188
+CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB12499
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(F)(F)c3ccccc3)cc2)CCCC1,bindingdb_652411
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCNC(N)=O,CHEMBL1095223
+COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12,bindingdb_672429
+CCN(CC)CCOc1ccc([C@@H]2Oc3cc(F)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1084120
+Cn1nc(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc2c1=O,bindingdb_760191
+CC(C)CS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650123
+C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1cnc2ccccc2n1,CHEMBL2022862
+C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C,CHEMBL50241
+CC(=O)C12CCC(C(=O)N3CC[C@@]4(S(=O)(=O)c5ccccc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)(CC1)CC2,bindingdb_651544
+COc1ccc(CCCc2ccc(O)cc2)c(O)c1,CHEMBL465879
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)F,bindingdb_401109
+CCc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)(C)C)cc1,CHEMBL3920760
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12,bindingdb_112159
+COC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646695
+CC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL3798862
+Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1cc(O[C@@H](C)C(=O)O)ccc1Cl,CHEMBL452054
+O=C1CC(c2ccccc2)Oc2ccccc21,CHEMBL274318
+Cc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168472
+CC(C)(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL234749
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1018399
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cc5)c4)(CC2)CC3)no1,bindingdb_1017636
+O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(Cl)cc1,CHEMBL1521144
+Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1,bindingdb_584284
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccc(OCCCCCN3CCCCC3)cc12,CHEMBL241256
+CCCc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778829
+Cc1nn(CCC#N)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337828
+CCCc1cc(C(F)(F)F)ncc1OCCCOc1ccc(OCC(=O)O)c(C)c1,CHEMBL425431
+CC1CCN1C(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_649006
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5c(F)cc(F)cc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_648745
+COc1cc(OCCN2CC(OC)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(C)F,bindingdb_403407
+Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCCN2CCCC2)c1C,CHEMBL527045
+CCC1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O,CHEMBL1499638
+N#CCn1c(C#N)ccc1-c1ccc2oc(=O)ccc2c1,CHEMBL3937217
+Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1,CHEMBL517474
+COc1ccc2c(c1)C1CC1(C(=O)N1C3CC1CN(Cc1ccccc1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126836
+CCn1c(CCC(=O)Nc2cc(C)cc(C)c2)nnc1CCC1CCCCC1,CHEMBL3774416
+Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F,bindingdb_539948
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_109241
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OCCO[C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)c(C)c3)C[C@@]21C,CHEMBL374507
+Cc1nc(C)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)s1,bindingdb_401979
+CCOC(=O)c1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1,CHEMBL302442
+N#Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4086504
+CC(=O)Nc1ccc(-c2nc3c(C)cccc3[nH]2)cc1,bindingdb_982676
+CCc1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183071
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc31)CCCC2,bindingdb_654502
+COc1ncc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)cn1,CHEMBL3261429
+O=C(c1sc2cc(O)ccc2c1-c1ccc(F)cc1)C1CCCCC1,CHEMBL3764437
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1cccc(-c2ccccc2)c1,CHEMBL125659
+Cc1cc(SCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC1(C(=O)O)CCCC1,CHEMBL258519
+Cc1cccc2c(-c3cccc(Oc4cccc(S(C)(=O)=O)c4)c3)c(C(N)=O)cnc12,CHEMBL604259
+CN(C)c1ccc(C2c3nnnn3CCN2Cc2cccc(F)c2)cc1,bindingdb_653428
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccccc1Cl,bindingdb_650296
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)c(F)c2)c1)C(=O)O,CHEMBL201803
+COc1cc(Cc2ccc([C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)ccc1N,bindingdb_430594
+Cn1c(=O)c2[nH]c(CCCCCCCCc3nc4ccccc4[nH]3)nc2n(C)c1=O,bindingdb_539883
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(Cc3ccc(C(F)(F)F)cc3)c(Cl)c2c1,bindingdb_1184001
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCC4)cc(F)c23)c(F)c1,bindingdb_653264
+COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1,CHEMBL4092687
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C#N)c(F)c2)[C@H]3C(C)C)cc1,bindingdb_271125
+CCO[C@H](Cc1ccc(OC/C=C(\C)C#Cc2ccc(C#C/C(C)=C/COc3ccc(C[C@@H](OCC)C(=O)O)cc3)cc2)cc1)C(=O)O,CHEMBL2112996
+CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OCCO3)c1C,bindingdb_1004908
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3(F)CC3)sc2c1,bindingdb_1018494
+CC(C)(C)C1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1,CHEMBL4289931
+CCCCCCc1ccc(C(=O)CCCBr)cc1,CHEMBL236307
+NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596608
+COc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1,CHEMBL1079488
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCOCC3)c(S(N)(=O)=O)c2)cc1,bindingdb_648057
+CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760419
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCOC1,bindingdb_649012
+COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3O)n[nH]2)c1,bindingdb_403676
+O=C(NC1CCS(=O)(=O)C1)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCCC2,CHEMBL1334162
+Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccncc2)C3)cc1,CHEMBL429592
+CC1(C)C(=O)N(c2ccccc2)C(=O)c2ccccc21,CHEMBL479563
+COc1cc(F)c(C(=O)N2N=C(c3ccc(F)cc3)SC2c2cccc(OC)c2OC)c(F)c1,CHEMBL243718
+COC1CN(C(=O)[C@H]2CCc3c(N4CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_652570
+CCCCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042805
+O=C1C2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL374121
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC2CC2)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2024619
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1,bindingdb_403935
+CCCCC/C=C\C[C@H](O)/C=C/CC(=O)CCCCC(=O)O,DB07208
+CC1(Cc2ccccc2)C(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL26755
+CC(C)(C)c1ccc(COc2ccc(CSc3ccc(OCC(=O)O)c4c3CCC4)cc2)cc1,CHEMBL392949
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12,CHEMBL3699345
+COc1cccc(-c2nc(C)c(COc3ccc(CCC(=O)O)cc3)o2)c1,CHEMBL4211920
+CC1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2348882
+COCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12,CHEMBL3189836
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_646759
+C[C@]12CC[C@H]3[C@@H](CC4C5=CC(=O)CC[C@@]53C[C@H]4O)[C@@H]1CC[C@@H]2O,CHEMBL438863
+CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(CC(C)(C)C)cc3Cl)ccc2O1,CHEMBL190334
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCOCC2)cc1Cl,CHEMBL561570
+C[C@](O)(CS(=O)(=O)c1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074234
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3OC(F)(F)F)sc3cc(O)ccc23)cc1,bindingdb_401263
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(C)cn1,bindingdb_648369
+COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccc(O)cc4)oc3C)cc2)cc1,CHEMBL253952
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCNCCCF)cc2F)N1CC1(F)CC1,bindingdb_403721
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CN2CC(F)(F)C[C@@H]2C)c(Cl)c1Cl)C(F)(F)F,bindingdb_645303
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC[C@@H]1CO,bindingdb_645932
+N#Cc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)ccc1F,bindingdb_1017443
+COc1ccc(C[C@@H]2[C@H](OC(C)=O)[C@H](O)CN2C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)cc1,bindingdb_646317
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3799931
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCCCC4)noc3C3CC3)sc2c1,bindingdb_1018312
+NC(=O)c1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)c(F)c1,bindingdb_645991
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL32812
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(N4CC(F)C4)C2)C3)CC1,bindingdb_646213
+CN1CCC[C@H]1COc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1,bindingdb_27799
+Cc1ccc2nc(-c3ccccc3)cn2c1,bindingdb_584155
+COc1ccc(Br)cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1,bindingdb_112270
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)nc(-c4ccc(C(F)(F)F)cc4)c3CC[C@H]12,bindingdb_654033
+COc1ccc(CCNc2ncnc3sccc23)cc1OC,bindingdb_539880
+CC(C)[C@@](O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)C(F)(F)F,CHEMBL3809850
+CCCOc1c(C2=C(/C=C/C(C)=C/C(=O)O)CCC2)cc(C(C)C)cc1C(C)C,CHEMBL133176
+COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccsc1=N,bindingdb_1751
+O=C1CCCC(=O)C1=CNc1ccc(O)cc1,bindingdb_1005018
+Brc1cn(-c2csc(N3CCOCC3)n2)cn1,CHEMBL3323498
+Cn1ncc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168441
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccccc4F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018159
+CN1C(=O)CC[C@H]1C(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC2C1,bindingdb_650629
+CC1(C)NC(=O)N(c2ccc(C#N)c(I)c2)C1=O,CHEMBL366116
+CC(C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(F)c3CCC2)cc1,bindingdb_403205
+O=C1C[C@@H]2C(=O)CC[C@H]2[C@@H]2CC[C@H]3CCCC[C@@H]3[C@@H]12,CHEMBL3085537
+O=C(C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC(c2ccncc2)C1,bindingdb_651180
+CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1,bindingdb_1004915
+CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC,CHEMBL282489
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4nccs4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017552
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL169046
+COc1cc(C#N)cc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C(F)(F)F)c1,bindingdb_648216
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(-c3ccccc3)nnc2[nH]1)C(F)(F)F,CHEMBL3126952
+CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)cc1,CHEMBL4101697
+COc1cccc2c1-c1ccc(NC(=O)c3ccccc3)cc1C(c1ccccc1)O2,CHEMBL302147
+O=C(O)CC1=C/C(=C\c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21,CHEMBL517909
+Oc1ccc2c(c1F)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401819
+O=C(O)c1cc(C2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017399
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1c(C)noc1C,bindingdb_654341
+O=C(NCc1ccncc1)[C@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653249
+CCCCC(Sc1nc(OCCC(C)C)cc(OCCC(C)C)n1)C(=O)O,CHEMBL1172002
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3(F)CC3)sc2c1,bindingdb_1018621
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)C3CN(C(C)=O)C3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653962
+O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3cccc(F)c32)cc1,CHEMBL3913238
+O=C(O)c1cc(F)c(-c2cn(C(=O)c3c(Cl)cccc3C3CC3)c3cccnc23)c(F)c1,bindingdb_654503
+O=C(O)COc1ccc(OC[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1,bindingdb_846309
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(C)(C)C(=O)O,CHEMBL199823
+Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,DB00648
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccccc4CCC23)CC1,bindingdb_651007
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1,CHEMBL4073568
+Oc1ccc2c(c1)CCCC(c1ccc(OCC(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402357
+COc1ccc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)[C@H](C)C(C)(C)C)C(C)(C)C4)cn3C)c2C)cc1C#N,bindingdb_648185
+CCO/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21,CHEMBL1762200
+CCC12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc3[nH]nnc3c1C2,CHEMBL215428
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2S(=O)CCC3)c(F)c1,bindingdb_653731
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O,CHEMBL3590261
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O,CHEMBL3589801
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(O)cn1,bindingdb_650254
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC1(F)CC1,bindingdb_402962
+O=C(N[C@H]1CC[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1cn[nH]c1,bindingdb_649273
+CCCCCCCCCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017947
+C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1074227
+O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C1CC1,bindingdb_1774
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCC(CO)NCCCF)cc2F)N1CC(C)(C)F,bindingdb_402370
+COc1cccc2c1-c1ccc(N)cc1C(c1ccccc1)O2,CHEMBL292721
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CN1C(=O)COC1=O)O2)c1c(Cl)cccc1Cl,bindingdb_998303
+COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_403754
+CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)N(C)OC,bindingdb_949599
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)NC)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_648183
+Cc1ccc(C(=O)O)cc1NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1,CHEMBL3335655
+CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl,CHEMBL3980435
+CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Cc2ccccc2)c1,CHEMBL212591
+COc1ccc(OC(=O)N(CC(=O)O)Cc2cc(OCc3nc(-c4ccc(Cl)cc4)oc3C)ccc2F)cc1,CHEMBL3827510
+CC(=O)n1c2ccccc2c2c(C#N)c(N3CCCCC3)sc21,bindingdb_108543
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1)C(=O)O,CHEMBL122070
+CN(C)c1cc2oc(=O)ccc2cc1-c1ccc(F)cc1,CHEMBL1835819
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cccnc2)c1,CHEMBL241472
+Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1,bindingdb_69201
+Oc1ccc(-c2cscc2-c2ccc(O)cc2)cc1,CHEMBL2031540
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4)ns3)cc12,bindingdb_965496
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1c(F)cc(OCCN2CC(CF)C2)cc1F,bindingdb_961344
+Cc1nn(C2CCS(=O)(=O)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168469
+Cc1cc(OCc2c(-c3[nH]c(=O)ccc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,CHEMBL511559
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCc1nn[nH]n1)O2,bindingdb_646140
+O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1,bindingdb_653285
+CCCCCCCC/C=C(\CCCCCCCC(=O)O)[N+](=O)[O-],CHEMBL550762
+CN(C)C(=O)Cc1nnc(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)o1,bindingdb_645111
+C=CC(=O)[C@H]1CC[C@H](CC(C)(C)C)CC1,CHEMBL394678
+CC1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348903
+CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O,bindingdb_402532
+Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)on2)cc2scc(CC(=O)O)c12,CHEMBL234382
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cn2)N1CC1(F)CC1,bindingdb_402673
+Cc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C)C2)cc1,CHEMBL273141
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H]3CCOC3)c2=O)cc1,bindingdb_650152
+Oc1ccc2c(c1)SCCC(c1ccc(SC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402712
+CC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)cn2c(-c3ccc(F)cc3)cnc12,bindingdb_292647
+CSC1=NC(=O)C(=Cc2c[nH]c3ccccc23)N1,bindingdb_999902
+O=C(O)c1cc([C@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017579
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H]3CCN(C(=O)OCc4ccccc4)C3)cc12,CHEMBL3699350
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2)cc1,CHEMBL1372855
+Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1,bindingdb_953886
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1)cn2C,bindingdb_646427
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(OCCN(C)C)cc3)c(Cl)c12,bindingdb_18542
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn3cccnc23)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654726
+C[C@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL180253
+N#CC1CCC(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651167
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,CHEMBL4160292
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(Cl)c3)c(C(=O)c3cccc(Cl)c3)s2)cc1,CHEMBL3105669
+Oc1ccc(-c2nc3cc(O)cc(CBr)c3o2)cc1,CHEMBL189039
+C[C@H]1c2c(F)c(-c3cccc4cc[nH]c34)c(F)c(F)c2NC(C)(C)[C@@H]1O,CHEMBL1682438
+CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)c1,CHEMBL2022404
+O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,bindingdb_672638
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)c(F)c3)cc21,CHEMBL4164753
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CC1,bindingdb_654300
+CCCC12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2,CHEMBL377171
+COc1cc(OCC23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)OC3)cc(C(=O)O)c1,bindingdb_1018497
+NC(=O)N1CCC(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,bindingdb_653945
+CC(C)[C@@H]1CN(c2ccc(C(=O)O)c(S(C)(=O)=O)c2)CCN1c1nccc(C(N)=O)n1,bindingdb_1130823
+CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1,CHEMBL3545278
+COc1cc2c(cc1NC(=O)CSc1nnnn1-c1ccccc1)oc1ccccc12,bindingdb_760535
+O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2,bindingdb_1018730
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)C(=O)O)n3)nc2CN2CCC(F)(F)[C@@H]2C)c(C(F)F)c1F)C(F)(F)F,bindingdb_646475
+CCCCCCOc1ccc(C(=O)CCNc2ccccc2)cc1,CHEMBL550841
+CCC(=O)N1CC[C@H](N(Cc2ccccc2Br)c2ccc(C#N)c(Cl)c2)C1,CHEMBL607030
+COc1nc2ccc([C@@](O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCOCC1,bindingdb_54878
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCC2)c(OC(F)(F)F)c1)C(F)(F)F,bindingdb_645138
+Cc1cc(OC(F)(F)F)cc2c1c(Cc1c(Cl)cnc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)cn2C,bindingdb_206680
+FC(F)(F)c1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1,bindingdb_757579
+C[C@@H](C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@H]1C(=O)O,CHEMBL3138035
+C=CCC1Oc2c(Br)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7817
+COc1ccc(OC)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1,bindingdb_830967
+O=C(O)c1ccc(N2N=C(C(=O)c3c(Cl)cccc3C3CC3)C3C=CC=NC32)cc1,bindingdb_648174
+CC[C@@H]1CC[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,CHEMBL213337
+CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1,CHEMBL233785
+COC(=O)C1(NC(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCS(=O)(=O)CC1,bindingdb_649395
+CCCc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1,CHEMBL3645263
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Cc4cccc(N)c4)cc3)O[C@]12C(=O)CO,bindingdb_403707
+Cc1cccc(C)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)O)cc1F,bindingdb_1017875
+Cn1ccnc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4210499
+COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCC/C=C\CC2,CHEMBL1669746
+N#Cc1ccc(-c2ccccc2OCCO)cc1C(F)(F)F,CHEMBL238338
+CC=C(C)C(=O)c1ccc(CCCCCCC)cc1,bindingdb_26653
+C1CCC(c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)CC1,bindingdb_17640
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCOC2,bindingdb_417625
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC(F)(F)c3ccccc3)ccc2O1,bindingdb_646932
+COc1ccc(CNC(=O)NC2CCCCC2)cc1,bindingdb_108550
+O=C(O)c1ccc2nc(OCC34CCC(C=Cc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1018954
+O=C1COc2ccc(-c3cc(C(F)(F)C(F)(F)F)nn3-c3ccc(F)cc3)cc2N1,CHEMBL1928885
+Oc1ccc2c3c(cnc2c1)-c1cccc(F)c1OC3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050076
+O=C(O)c1cc(O[C@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017418
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1C[C@@H](O)[C@H](O)C1,bindingdb_650422
+COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C2CC2)cn1,CHEMBL3937635
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2ccc(O)c(O)c2)c1,CHEMBL575007
+CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)C(C)C)cc1)c1ccccc1,CHEMBL1229025
+Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,CHEMBL1466145
+N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1,bindingdb_584387
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl,CHEMBL563812
+COc1cc(Cl)c(C(=O)c2nc(-c3ccc(C(=O)O)cc3)c3n2CCCC3)c(Cl)c1,bindingdb_998186
+CC1(C)C=Cc2cc3c(C(F)(F)F)cc(O)nc3cc2N1,CHEMBL350877
+CC(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)cc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_206277
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(C(F)(F)F)OC2)[C@H]3C(C)C)nc1,bindingdb_271265
+CCOC(Cc1ccc(OCCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O,CHEMBL477801
+CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL567237
+O=C(O)/C=C/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL4228617
+COC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1,bindingdb_1143371
+CC(=O)O[C@H]([C@@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O1)C(C)(C)O,CHEMBL3121590
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc(CC3CCCCC3)c(-c3ccc(S(=O)(=O)NC(C)(C)C)c4ccccc34)s2)cc1,CHEMBL4130294
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(c1cccs1)(c1cccs1)OCC(=O)N2,CHEMBL520169
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_645920
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3c(cccc3C(=O)O)C2)c1,bindingdb_745811
+Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2-c2ccccn2)ccc1CCC(=O)O,CHEMBL241299
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403530
+Cc1cc(-c2ccc(C#N)n2C)ccc1O,CHEMBL4065842
+CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL591092
+CC(=O)N1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,CHEMBL3927632
+COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C,CHEMBL234394
+COc1nc2ccc([C@@](O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(F)(F)F,bindingdb_650948
+CCN1CCC(n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)CC1,bindingdb_168585
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C(F)(F)F)c2)s1,bindingdb_1182908
+Cc1ccccc1N1CCN(C(=O)CN(C)Cc2ccccc2)CC1,bindingdb_25318
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(-c4cc(C(F)(F)F)c[nH]4)c3)c3ccc(Cl)nc32)cc1,CHEMBL198365
+CC(C)[C@H]1c2ncc(C(=O)NCCCn3ccnc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123966
+Cc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12,CHEMBL1628012
+CCCCCCOc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1,CHEMBL551777
+Cc1nn(CC2CCN(S(C)(=O)=O)CC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168425
+O=C(O)C1CC=C(c2nn(C(=O)c3c(C4CC4)ccc(F)c3Cl)c3c2CCC(C(=O)N2CC4(CCOC4)C2)C3)CC1,bindingdb_645275
+COc1ccc(-c2cc(C(=O)O)c(C)o2)cc1OC,bindingdb_584153
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCNCC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54969
+CCc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168412
+CC1(C)OC(c2ccccc2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL167620
+CN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1,bindingdb_672391
+Cc1ccc(C(C)(C)CC(O)(Cc2cc3cc(S(C)(=O)=O)ncc3[nH]2)C(F)(F)F)c(C(N)=O)c1,CHEMBL3358948
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)s3)oc2C)cc1)C(=O)O,CHEMBL1813012
+COc1cccc(Cl)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2,CHEMBL3596275
+COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2,bindingdb_539887
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183013
+Cc1nn(Cc2c(Cl)ccc(C(=O)N3CCC(C4COC4)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206562
+C[C@]1(C(=O)N2CCCC(c3ccccc3)C2)CCC[C@]2(C)c3ccccc3CC[C@@H]12,CHEMBL196340
+O=C(NS(=O)(=O)C1CCOCC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018109
+O=S1(=O)CCC(c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)CC1,CHEMBL428926
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1CC2,CHEMBL1411493
+O=c1[nH]c(=O)c(Cc2ccccn2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204050
+CC(C)(OC(=O)Nc1cc(F)c2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_645949
+CC/C(=N\OC)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL230707
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_650498
+CC(C)(C(=O)Nn1nccn1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426625
+C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1,CHEMBL3935869
+Oc1ccc2c(c1)CCCC(C1=CCNCC1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401601
+N#Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4081430
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COCCO)c1ccccc1,CHEMBL214915
+Cn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672543
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018277
+CC(C)(C)NS(=O)(=O)c1ncc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4126216
+CC[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21,CHEMBL1672549
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F,CHEMBL1254651
+CC(C)(Cc1nnc(-c2nc(CC3CCC3)c(-c3cc(C(C)(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)s2)o1)C(=O)O,bindingdb_645509
+CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c(OC)ccc(OC)c21,CHEMBL3192559
+CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)C1c1cccc(Br)c1,bindingdb_87244
+C[C@]12CCC3C(CCC4=CC(=O)CC[C@@H]43)C1CC[C@@]2(O)C(F)(F)F,CHEMBL57078
+COc1cccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)c1,CHEMBL3261418
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCCCc3ccccc3)c2)c(Br)c1,CHEMBL429078
+CCCCSc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1171456
+Cc1c(C(F)(F)F)ccc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c1Cl)n2C,bindingdb_649739
+CCC/C=C(\CCC)C1=C(C2CCCCC2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL384424
+Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C,CHEMBL1352957
+O=C(O)CNC(=O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1017734
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC#N)cc3)c(=O)n([C@@H](C)C3CC3)c2n1,bindingdb_650677
+CCCCN(c1cccc(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760426
+COc1ccc(-c2cc(C(=O)N3CCCCC3)no2)cc1OC,bindingdb_1004996
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)cccc2c1,bindingdb_1018557
+Cc1c(Cl)ccc2c1CN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c1)CC2,bindingdb_745821
+Cc1c(C#N)ccc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206725
+C[C@@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CCC1,bindingdb_1183646
+CCN(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1Cl,CHEMBL4212795
+COCCOc1cc(/C=C/C(=O)NS(=O)(=O)CCC(C)C)n(Cc2ccc(C(F)(F)F)cc2Cl)n1,CHEMBL1933843
+CC1(C)OC(S)=Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL282650
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)O)O2,bindingdb_646892
+CC[C@@H](C(C)C)[C@H]1O[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4089508
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(Cc3ccccc3)[nH]2)C1=O,CHEMBL3234852
+Cc1nnc(C(=O)N[C@@H](C)[C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)c2ccccc2)o1,CHEMBL3960682
+O=C(O)[C@@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)C[C@H]1O,bindingdb_652830
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)c(F)c2)cc1,CHEMBL4206438
+COc1cc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2cc1OC,bindingdb_760313
+CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_124679
+CCCS(=O)(=O)NCc1cn2c(C)csc2n1,bindingdb_1000189
+CCC(=O)N1CCCC(CN2c3ccccc3N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1,CHEMBL3402138
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4cc(Cl)c[nH]4)ccc32)cc1,CHEMBL199244
+Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1,CHEMBL458603
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL484962
+CCCc1cc(C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)O)ccc21,CHEMBL501155
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SCC3)ccc2S1,bindingdb_403900
+C=C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL250109
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCCC[C@@H]1[C@@H](O)CO,bindingdb_652427
+CCc1ccc2oc(-c3cccc(N)c3)nc2c1,bindingdb_672595
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCCC2)c(C(F)F)c1F)C(F)(F)F,bindingdb_650282
+CC(C)Cn1c(-c2cccs2)nc2ccccc21,CHEMBL1586997
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CSCc1ccccc1)O2,bindingdb_647087
+Cc1ccc(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1,CHEMBL1447046
+O=C(Nc1ccncc1)[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648319
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(C(F)(F)F)c3)c2)c(Cl)c1,bindingdb_481590
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn23)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645357
+CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1,bindingdb_953753
+Cc1cc2cc(Cc3c(Cl)ccc(C(=O)N4CCC(C(=O)O)CC4)c3Cl)n(C)c2cc1C(F)(F)F,bindingdb_206488
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC(C)CO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018673
+Cc1cccc(/N=C(\c2ccc(O)cc2)c2ccc(O)cc2O)c1,CHEMBL3234628
+CC(C)(C)OC(=O)n1c(-c2ccc(CCNS(=O)(=O)c3cccs3)cc2)cc2ccccc21,CHEMBL398381
+CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1ccc(C(=O)O)cc1)c1ccccc1,CHEMBL3695914
+Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]2[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)cn1,CHEMBL3956011
+COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,CHEMBL197100
+CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)n[nH]c1=O,bindingdb_965667
+Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCCC3)cc1)C1=C2CCOc2ccccc21,CHEMBL1087288
+CCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3806167
+O=C(O)C[C@H]1CC[C@H](NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)CC1,CHEMBL1668251
+O=S1(=O)[C@@H](c2ccccc2)CC[C@H](C(F)(F)F)N1Cc1cc(F)c(N2CC3[C@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_647890
+COc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c1,bindingdb_400882
+Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1,CHEMBL411317
+CC[C@H]1c2ccc(C(=O)N[C@@H](COC(N)=O)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_271197
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=N/O)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682422
+Oc1cccc2c1[nH]c1ccc(Cl)c(Cl)c12,CHEMBL1288959
+CCOc1cc(F)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_402057
+CC(C)OC(=O)C1CN(C(=O)c2ccc(C#N)cc2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL579263
+Cc1c(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn2ncnc2c1C,bindingdb_1017949
+CCOC(=O)CCc1cc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)ccn1,bindingdb_651657
+C=CCOC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230269
+CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(Cc2ccccc2Cl)n1,CHEMBL3360974
+Cc1cccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)c1,CHEMBL1609827
+CC(=O)N1CCN(c2ccc(CN(C(C)(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317837
+Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)c1=O,CHEMBL3899514
+CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1,CHEMBL199122
+C=CCOC(CC)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228611
+Cc1noc(C)c1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,CHEMBL3582109
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NC(=O)c3ccccc3)ccc21,CHEMBL4277076
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CN(C(C)=O)CCN1C,bindingdb_654480
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc(CS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649166
+CC1(C)Nc2c(cc(-c3cccc4nncn34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582122
+CCOC(=O)C1=C(c2ccoc2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-],CHEMBL248848
+CCCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706898
+CCn1cc(S(=O)(=O)N2C[C@@H](C[C@H](C)C(=O)NS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648289
+NC(=O)CC1COc2ccccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464402
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3cc(F)cc(F)c3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL397239
+CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1004607
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)N4CCOCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018372
+O=C(O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018853
+CCS(=O)(=O)c1ccc([C@H](O)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270992
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1c(Cl)nn3c1CCCC3)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651409
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cccs2)c1,CHEMBL241078
+COc1ncccc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1,CHEMBL1645402
+COc1ccc(-c2noc(Cc3ccccc3OC)n2)cc1,bindingdb_112250
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1C(F)(F)F,CHEMBL560972
+CC1(C)c2ccc([N+](=O)[O-])cc2[C@@H](NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)[C@@H]1O,bindingdb_648304
+O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL4078581
+N#Cc1ccc(N2C(=O)CC[C@@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F,bindingdb_506300
+CCO[C@H](Cc1cccc(C2=NOC(c3ccccc3)C2)c1)C(=O)O,CHEMBL492046
+O=C(O)c1ccccc1Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1,bindingdb_475602
+CCn1c(Oc2ccc(C(F)(F)F)cc2)nc2cc(C(=O)N[C@@H](CN)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206411
+C(=NNC1=Nc2cccc3cccc1c23)c1ccccn1,bindingdb_999544
+Oc1ccc(C(=Nc2ccc(Br)cc2)c2ccc(O)cc2)cc1,CHEMBL3234622
+Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl,CHEMBL83116
+CCCCOc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,bindingdb_1005005
+CC(NC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1)C(F)(F)F,bindingdb_648031
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)C(C)N(C)C1=O,CHEMBL3403691
+CCc1cn(CC(=O)O)c(CC)c1Oc1ccc(C#N)cc1,CHEMBL1084954
+CCC(=O)Nc1ccc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)cc1,CHEMBL1328586
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC2(O)CC2)sc1-c1cnc(NC2CCCC2)cc1C(F)F,bindingdb_1182907
+CC(C)c1cc(Cn2ccc3c(NC(=O)C(=O)O)cccc32)ccc1O,CHEMBL3126370
+CCOC(=O)C1=C(c2ccoc2)c2ccc(OC)cc2C1=O,CHEMBL443051
+CC(=O)c1cccc(-c2ccnc3c2CC(C(=O)NCc2ccccc2)O3)c1,bindingdb_55598
+Cc1cc(F)ccc1C1=C(c2ccc3c(c2)NC(=O)CO3)COC1=O,CHEMBL2419304
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2cn[nH]c2)C1=O,CHEMBL2407869
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C2CC2)n1,CHEMBL3673698
+CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,DB00499
+O=C(O)c1ccc(OC2CCOCC2)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018606
+CCOC(=O)c1c(C)nc(-c2ccccc2)nc1N,bindingdb_999769
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C(F)(F)F)ccn2)C1,CHEMBL4097670
+CC(C)Cc1cc(C(F)(F)F)nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_1143411
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(C#N)c3)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105691
+Cc1ccccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_403923
+O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1,CHEMBL598372
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cc(O)cnc34)c(N3CCOCC3)cc2C1=O,bindingdb_1127406
+CCC(Cc1ccc(O)cc1)c1ccc(O)cc1,CHEMBL549654
+Cc1c(C)n(Cc2cccc(C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3678162
+C=C(CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL470559
+O=C(O)c1cc(C2CCCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1019026
+COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12,CHEMBL4114879
+Cc1oc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nc1[C@@H](O)C(F)(F)F,bindingdb_651133
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(C)c1,bindingdb_403217
+O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650084
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_1004627
+Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Br)C[C@@H]1[S+]2[O-],CHEMBL2031522
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)cn1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1182929
+C=C1CC/C=C/CC[C@@H]2[C@@H]1CC2(C)C,CHEMBL3360190
+Cc1cccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)c1,CHEMBL387607
+CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348871
+CC(C)(Oc1ccc(COc2nc3ccccc3s2)cc1)C(=O)O,CHEMBL2204698
+Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)NC(=O)Nc4ccccc4)cc3)nc3ccccc3c2=O)cc1,CHEMBL4072706
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@H](CNS(=O)(=O)C1CC1)O2)C(F)(F)F,bindingdb_650970
+O=c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c2cccc(F)c12,CHEMBL4164293
+COC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C(=O)O,bindingdb_650300
+COc1cc(C(=O)O)ccc1N1C2CCC1CC(OC(=O)c1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2,bindingdb_1018838
+COc1nc2ccc(C(O)(c3oc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183759
+CC(O)(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(F)(F)F,bindingdb_648769
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC(=O)O)cc3)C[C@@]21C,CHEMBL452860
+O=C(NCc1ccncc1)[C@@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653020
+O=C(O)c1cccc2c1NC(c1ccc([N+](=O)[O-])cc1)C1CC=CC21,CHEMBL1335534
+Cc1cc(C)c(O)c(C(=O)CC2CC(=O)NC(=O)C2)c1,bindingdb_539953
+CCCc1cc(C(=O)c2ccccc2)ccc1OCCCn1ccc2c(OC(C)(C)C(=O)O)cccc21,CHEMBL494142
+O=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1,bindingdb_91276
+CC(C)[C@H]1c2ncc(C(=O)NCC3CCN(C(=O)CO)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127617
+O=S(=O)(Nc1ccc(Oc2cnc3ccccc3c2)c(F)c1)c1ccc(Cl)cc1Cl,CHEMBL2338473
+CCOC(Cc1ccc(OCCN(C)C2=Nc3ccccc3Sc3ccccc32)cc1)C(=O)O,CHEMBL194411
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C(C)C)CC1)cn2C,CHEMBL4295241
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(CC3CCCCC3)c(-c3ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c3)s2)cc1,bindingdb_645938
+COC(=O)/C(=C\Nc1ccc(Cl)c2ccccc12)c1ncc(C(F)(F)F)cc1Cl,CHEMBL3196436
+CCC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C\C(=O)O)CCC1,CHEMBL44582
+CN(Cc1ccn[nH]1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_648413
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3)c(C3CC3)cc3cc(O)ccc23)cc1,CHEMBL490197
+COc1cccc(NC(=O)c2cnc(SCC(=O)NCC3CCCO3)n(C)c2=O)c1,bindingdb_988774
+Cc1cccc(-c2nc(COc3ccc(CC(OC(C)C)C(=O)O)cc3)no2)c1,CHEMBL80301
+C[Si](C)(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL4249586
+O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1,CHEMBL176252
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(C5CCCCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263682
+CCN1CC(c2ccc(O)cc2)Cc2ccc(O)cc21,CHEMBL239938
+O=C(NC1CCCC1)c1cc(-c2cccs2)on1,bindingdb_982689
+C[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)[C@H](F)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138311
+CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12,CHEMBL1580543
+Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)nn1,CHEMBL4089940
+Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1,1uom
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(C)(C)C(F)(F)F,bindingdb_654856
+CCCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1CC,CHEMBL394504
+COc1ccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)cc1,bindingdb_652815
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCNC3)c(F)c1,bindingdb_647173
+Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CC1CCCO1,bindingdb_584037
+COc1cccc(C2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2CCN2CCOCC2)c1,bindingdb_953771
+Cc1ccn2c(=O)nc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1,bindingdb_1757
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN[C@H]3C(C)C)cc1,bindingdb_270760
+CN(Cc1ccccc1OCCC[C@H]1C[C@H]1C(=O)O)C(=O)c1ccc(-c2ccco2)cc1,bindingdb_1002125
+Cc1cc(CN2CCCC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643192
+CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_653222
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(CCSC(=O)CN)SC(=O)CN,CHEMBL1182112
+COCCCCCC[C@@H]1C[C@@H]2[C@H](CCC3[C@H]2CC[C@@H]3O)c2ccc(O)cc21,bindingdb_831646
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1F,bindingdb_1182938
+CCOc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1,CHEMBL2071181
+O=C(O)c1cncc(NCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018944
+CC(C)(O)CNC(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12,bindingdb_652957
+Nc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cn1,bindingdb_402442
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cncnc1,bindingdb_652038
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)nc2)c1,CHEMBL2441093
+CC(C)(Oc1cccc(CN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL247919
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,CHEMBL3105799
+CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3OCCCNC3CC3)ccc21,CHEMBL4215021
+CCCO/N=C/c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3397551
+Oc1ccc2c(c1)O[C@H](c1cccc(OCCN3CCCCC3)c1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087040
+COC(=O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4cccs4)CC3)c3cc(Br)ccc32)cc1,bindingdb_80771
+O=C(O)C1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652422
+N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)s1,CHEMBL417475
+CC1CCN(C(=O)c2nc(C(=O)N3CC4(CCOCC4)C3)sc2-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)CC1,bindingdb_649896
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NCC(O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647249
+C#CC(O)(c1ccc2nc(OC)c(Cc3ccc(C(F)(F)F)cc3)c(Cl)c2c1)C1CN(C(=O)OC(C)(C)C)C1,bindingdb_1183217
+O=C(CC=Nc1ccc(F)cc1F)c1ccco1,bindingdb_55629
+Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(NCc3ccccc3)n2c1,CHEMBL4105108
+Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2C)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1003711
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(-c5nnco5)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017810
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL231806
+COc1ccc2c(c1)c(Cc1cccc(OCC(=O)O)c1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL178245
+Cc1ccccc1-c1cc(-c2ccccc2O)on1,bindingdb_672445
+COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC,CHEMBL252995
+C[C@@H](CN1[C@H](c2c(F)ccc(OCCNCCCF)c2Cl)c2[nH]c3ccccc3c2C[C@H]1C(F)F)C(=O)O,bindingdb_401678
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL2079581
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(NC(=O)CC(F)(F)F)cn3)C2)cc1C(F)(F)F,bindingdb_475984
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccc(Cl)cc3Cl)c2)cc1,CHEMBL3109235
+COCCO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@H](O)[C@@H]12,CHEMBL3326457
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCOc1ccc(-c2cccnc2)cc1,bindingdb_511717
+C=C1C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CC/C(C)=C/CO,CHEMBL478591
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2o1,CHEMBL17805
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3CCC(C(F)(F)F)O3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1130764
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(N4CCOCC4)nc3)nc2Oc2c(F)cccc21,bindingdb_1054327
+CCOC1(C(=O)N2Cc3cc(S(C)(=O)=O)ccc3C2C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1,bindingdb_645256
+COc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1CCC(=O)O,bindingdb_1018232
+O=c1c2c(-c3ccccc3)cc(O)cc2ncn1-c1ccc(O)cc1,CHEMBL425941
+CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)C(=O)O,CHEMBL3318041
+COc1cc(O)c(C(CC(=O)N2C[C@H](C)C[C@H](C)C2)c2ccc(Cl)cc2)c(OC)c1,CHEMBL2326413
+CC(C)[C@@H]1CN(c2cc(S(C)(=O)=O)c(C(N)=O)cc2Cl)CCN1c1nccc(C(F)(F)F)n1,bindingdb_1130909
+CCOc1ccc(-c2nc(CSCC(=O)NCCN3CCOCC3)c(C)o2)cc1,bindingdb_760346
+COC(=O)c1csc(CN2CC(C)(C)C(Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)n1,CHEMBL1830951
+CC(C)C(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,bindingdb_963237
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)c(Cl)c1,CHEMBL1163529
+CC(C)CN(c1ccccc1C#N)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361059
+COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126842
+CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCC(=O)O)ccc1N1CCCC1,CHEMBL4211171
+NC(=O)C[C@@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464470
+O=c1[nH]nc(Cc2ccccc2)c2ccccc12,CHEMBL66761
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645090
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCC3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c(=O)n([C@@H](C)C3CC3)c2n1,bindingdb_649412
+CCC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1,bindingdb_1183152
+CC1CCc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)C1,bindingdb_112143
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](Cn1ccccc1=O)O2,bindingdb_647667
+CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)nc1,bindingdb_270648
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CC(CF)C2)nc1,bindingdb_961224
+Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1,CHEMBL2107430
+Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2)cc1,bindingdb_112147
+Oc1ccc2nc(-c3cccc(O)c3O)oc2c1,CHEMBL189024
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)ccc(OCCNCCCF)c2Cl)N1C[C@H](C)C(=O)O,bindingdb_401997
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(C(F)(F)F)cc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL242821
+COc1ccc(C(N)=O)cc1-c1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl,CHEMBL3596594
+CCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21,CHEMBL4289304
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)N1CCOCC1)O2)C(F)(F)F,bindingdb_651511
+CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O,CHEMBL264349
+Cc1ccccc1C(=O)N/N=C1/SCC(=O)N1Cc1ccccc1,bindingdb_672393
+COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1082131
+Cc1noc(C)c1-c1cc2c(c3c1OCO3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582114
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F,CHEMBL3623004
+COC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL200840
+O=C(O)C12CCC(C(=O)N3CCCC4(S(=O)(=O)c5cccc(F)c5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_648610
+COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)nc3)c(=O)n(CC(C)C)c2n1,bindingdb_652343
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C3CC3)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_653114
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F,CHEMBL400628
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(C2=CCC(C(=O)O)CC2)c2ccccn12,CHEMBL3598150
+O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(C5CCC6(CC5)CC6)noc3C3CC3)C4)sc2c1,bindingdb_1018217
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(O)ccc32)cc1,CHEMBL373048
+O=C(Nc1cnc2ccccn2c1=O)c1ccc(F)cc1,CHEMBL1346933
+CCCn1nc2ccc(C(=O)NC(CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3115244
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCC2,bindingdb_649283
+N#Cc1cc(O)cc2c(Br)cn(-c3ccc(O)cc3)c(=O)c12,bindingdb_1044799
+COc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2,CHEMBL228767
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@H](c3ccccc3Cl)C2)ccc1C(N)=O,bindingdb_1143431
+O=C(C1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648075
+CCCc1cc2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL601222
+CCS(=O)(=O)NC1C[C@@H]2CC[C@@H](C1)N2c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL3410855
+C[C@]12CCC3C4CCC(=O)C=C4[C@@H]4C[C@@H]4C3C1C1CC1[C@@]21CCC(=O)O1,CHEMBL3915005
+CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CHEMBL1379707
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)CC(C(=O)C(F)(F)F)O2)C(F)(F)F,bindingdb_651336
+CCCCNC(=O)Cn1ccc2c(OC(C)C(=O)OCC)cccc2c1=O,bindingdb_1004990
+CCCCCCCN(CCc1ccc(O[C@@H](C)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2220273
+CNC(=O)N1Cc2cc(S(=O)(=O)CCOC)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648758
+CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3786850
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(CO)cc3)c(Cl)c12,bindingdb_417407
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1C[C@H]1CC[C@@H](C(F)(F)F)OC1,bindingdb_1143317
+O=C1c2ccccc2C(=O)C12C(c1cccc(O)c1)=Cc1cc(O)ccc12,CHEMBL25580
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)C(C)(C)C)ccc2O1,bindingdb_648166
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(O)C3)c2Cl)cc2ccc(C(F)(F)F)cc21,bindingdb_652737
+COCO[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL231428
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc(-c3ccccc3)co2)C1=O,CHEMBL3234845
+O/N=C/c1ccc(-c2ccc(O)cc2)c2ccoc12,CHEMBL231812
+CC1=C(C(=O)OC(C)C)C(c2cccc3c(=O)cc(C)oc23)C(C(=O)C(F)(F)F)=C(C)N1,CHEMBL4066981
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NOC1CCCC1)O2,bindingdb_647483
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL221146
+C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCCCC(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL393319
+CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)cc1,CHEMBL3361031
+COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1F,CHEMBL3695844
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OC)C[C@@]21C,CHEMBL3964460
+CC[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccc(C(=O)O)cc2)c1)c1ccccc1,CHEMBL3695908
+CC(Sc1nc2cc(Br)ccc2s1)C(=O)O,CHEMBL566082
+O=C(O)c1c(O)cc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)cc1F,bindingdb_998241
+C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2CCCO,CHEMBL1765951
+CC(C)NCCCOc1cccc2ccccc12,CHEMBL139737
+Cn1c2c(c3cc(O)ccc31)CSc1cc(O)ccc1-2,CHEMBL207509
+O=C(Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])o1,bindingdb_1729
+O=C(O)[C@H]1CC[C@](O)(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)CC1,bindingdb_647991
+CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1,bindingdb_112282
+CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3cc(Cl)cc(Cl)c3)nc2C)c1,CHEMBL2397335
+C=C1[C@@H](CC/C(C)=C/CO)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@H]1OC(C)=O,CHEMBL3314492
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCNC1,bindingdb_646368
+CC(=O)Nc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1,bindingdb_18649
+CC(C)Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL595012
+O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5ccc(F)cc5F)noc4C4CC4)cc3Cl)C2)c1,bindingdb_1018448
+COc1nc2ccc([C@](O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1,bindingdb_650800
+C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,CHEMBL1751
+CC(C)CNc1ncnc2c1ncn2[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](CO)O1,bindingdb_539969
+Cn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184033
+COc1c(C(=O)Nc2ccc(C(C)C)cc2)cnc2c1c(Cl)nn2C1CCOCC1,bindingdb_417610
+Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(OC(F)(F)F)cc1,CHEMBL3261426
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(CO)CCNCC1,bindingdb_647894
+O=C(O)c1cccc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1017404
+COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1,bindingdb_91274
+C[C@@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)c(F)c4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL183090
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_654362
+Cc1cccc(C(=O)O)c1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL484465
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1183963
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)c(Oc3ccc(Cl)cc3C(F)(F)F)s2)cc1,CHEMBL3314014
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(=O)(=O)NC(C)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183835
+O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,CHEMBL375270
+O=C1NC(=O)C(=Cc2ccc(N(CCO)CCOC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)N1,CHEMBL3752848
+CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)c(O)c1,CHEMBL4059760
+CC(C)c1cc(S(=O)(=O)c2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_93245
+CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,DB00665
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(O[C@H]3CCOC3)cc(C(=O)O)cc2s1,bindingdb_1017473
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)c(C)c32)c(Cl)n1,bindingdb_648927
+C=CCN1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652452
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C4CCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263880
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,bindingdb_760426
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(Cl)c(O)cc3OCC2)c(F)c1,bindingdb_402558
+CN(CCOc1ccc(CC(Cl)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL67098
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@@H](C(=O)O)[C@H](O)C2)c2ccccn12,bindingdb_998377
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183207
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CC4(CNC4)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55019
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@@H](CNC(=O)C1CCOCC1)O2)C(F)(F)F,bindingdb_647251
+Cc1csc(-c2ccc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)n1,CHEMBL253522
+CCOC(Cc1ccc(OCCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O,CHEMBL491623
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1,bindingdb_87275
+CC(C)N1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_647586
+CC(C)(O)CNC(=O)c1nc(CC2CCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c2Cl)s1,bindingdb_645511
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)C(=O)O,bindingdb_401582
+C=CCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,CHEMBL1305162
+Cc1c(C(=O)NCc2ccc(C(C)C)cc2)sc(=O)n1Cc1ccc(S(=O)(=O)N(C)C)cc1,bindingdb_539963
+CCCc1c(OCCCOc2ccc3c(ccn3Cc3nn[nH]n3)c2)ccc2c(C(F)(F)F)noc12,CHEMBL198929
+CCC(c1ccc(O)cc1)C(CC)c1ccc(OC)cc1,CHEMBL196732
+O=C(OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F,bindingdb_1003882
+CC1(C)Cc2c(ccc3[nH]ncc23)C(c2ccc(OCCN3CC(CF)C3)cn2)N1CC(F)F,bindingdb_402594
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCCCC1,bindingdb_646914
+O=C(O)c1cc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(N2CCC2)n1,bindingdb_1019013
+Cn1cc(N(Cc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL480934
+CCOC(=O)[C@@H]1[C@H](C(=O)OCC)[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,DB08320
+Cn1c(=O)[nH]c(N2CCC(Oc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230247
+COc1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@H](CC(C)(C)C(=O)O)[C@@H]2C)ccc1F,bindingdb_647178
+Oc1ccc2c(-c3nc4cc(F)c(O)cc4o3)cccc2c1,CHEMBL189556
+Cc1nocc1-c1ccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc2c1,CHEMBL3578284
+CC(C)(C)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4C(=O)OC[C@@H]4Cc4ccccc4)c3)cc2)cc1,CHEMBL3601093
+CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(Nc3nnc(C)o3)cc21,CHEMBL3764035
+Cc1cc(C#N)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CC(O)C3)c1Cl)n2C,bindingdb_646163
+O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3cccc(F)c32)cc1,bindingdb_651284
+Cc1ccc(Nc2cc(Cl)nc(SC(C(=O)O)c3cccc4ccccc34)n2)cc1C,CHEMBL1091866
+COc1ccc([C@@H](Oc2ccc(C#N)cc2Cl)[C@H](C)NC(=O)C(C)(F)F)cn1,CHEMBL4209089
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)O)nc3)nc2Oc2c(F)cccc21,bindingdb_1054294
+Cc1ccccc1S(=O)(=O)NCc1ccc(-n2ccnc2C)cc1,CHEMBL3139415
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1184060
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1)C(=O)O,CHEMBL116540
+O=c1ccc2cc(-c3ccc(Cl)s3)ccc2o1,CHEMBL1835834
+Cc1cc(OC(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c1Cl)n2C,bindingdb_206691
+Cc1oc(C2CCCCC2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL309882
+O=C(O)c1ccc(C(F)(F)F)c2c(=O)c3ccccc3[nH]c12,bindingdb_476031
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1,bindingdb_402084
+COCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(CCS(=O)(=O)CC4)C3)nc2CC2CCCCC2)c2ccccc12,bindingdb_648105
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cc(C#N)ccc2F)cc1,bindingdb_270535
+CCOc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC2(C)C,CHEMBL109847
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)c(Oc3ccccc3C(F)(F)F)s2)cc1,CHEMBL3605090
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@@H]3CCC[C@H]3C)CC1)cn2C,bindingdb_645430
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccc2ccccc2c1,bindingdb_417395
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C,bindingdb_112240
+COCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12,bindingdb_401828
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CN1C(=O)CNC1=O,bindingdb_654257
+Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)n(C)n1,bindingdb_168443
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCN(C(=O)OC)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55052
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCCNC(=O)CCC6=[N+]7C(=Cc8c(C)cc(C)n8[B-]7(F)F)C=C6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4102983
+C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL4526356
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018272
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206525
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(CSc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417445
+COc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1,CHEMBL3901479
+C=CCC1Oc2cccc(NC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL440454
+CCOC(=O)CSc1nn(C)c(=S)s1,CHEMBL1305485
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC)cc4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263906
+COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1,bindingdb_112293
+Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc1,bindingdb_760163
+COC1CCC(C(=O)NC[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650279
+CC(C)(C)c1cc(-c2nc(C(=O)NC3CC(C(=O)O)C3)sc2CC2CCCCC2)cc(C2(C)CC2)c1,bindingdb_645297
+COc1ccccc1Oc1ccc(Nc2ccccc2C(=O)O)cc1C(F)(F)F,bindingdb_964714
+CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cc1,bindingdb_652144
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC(CO)C1,bindingdb_653089
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2cccnc2)c2ccc(Br)cc2)cc1,CHEMBL3991043
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)c1,CHEMBL3814372
+CC1(O)CCN(C(=O)[C@@H]2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651852
+Oc1ccc2c(c1)SCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401716
+COc1cccc(S(=O)(=O)N(Cc2ccc(N3CCN(C(C)=O)CC3)cc2F)C2CCC2)c1,CHEMBL3581546
+O=C(CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc5ccccc5c4)C2O3)cc1)NO,CHEMBL3589701
+NC(=O)Nc1cc(CCc2ccccc2)ccn1,CHEMBL3643687
+COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3,CHEMBL49873
+COCCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830783
+CCOc1ccc(N2CSC3=C(C#N)C(c4ccco4)CC(=O)N3C2)cc1,CHEMBL1342429
+CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)O)c1,CHEMBL425766
+OC[C@@]12CC=C[C@@H](C1)[C@H](c1ccc(O)cc1)CC2,CHEMBL57150
+Cc1ccc(NC(=O)Nc2cccs2)c(Cl)c1,CHEMBL1360879
+O=C(N1CC[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1CO,bindingdb_646301
+CC1=Cc2cc(C#CC(/C=C\COc3ccc(OCC(=O)O)c(C)c3)c3ccc(Br)cc3)ccc2S1(=O)=O,CHEMBL234693
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4ccoc4c3)cc21,CHEMBL4173286
+CS(=O)(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3894675
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(C)c(OC)c(C)c3)C[C@@]21C,CHEMBL221492
+C[C@H](CCNC(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1017615
+CCCCN(C)CCOc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1,CHEMBL3657148
+COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1O,CHEMBL4281732
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(C[C@H]2CO[C@@H](C(F)(F)F)OC2)[C@H]3C(C)C)nc1,bindingdb_271210
+O=C(O)Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21,CHEMBL202515
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)(F)F,bindingdb_1183193
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C,CHEMBL3955372
+O=C(Oc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1,CHEMBL1629930
+COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126839
+CC(C)(O)[C@@H](N)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652409
+CCN(CC)CCOc1ccc(C(=C(C#N)c2ccccc2)c2ccc(OCCN(CC)CC)cc2)cc1,CHEMBL68236
+CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270679
+Cc1ccc2c(c1)cc(CCCC(=O)O)n2S(=O)(=O)c1ccccc1,CHEMBL4095821
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C,CHEMBL3233279
+COc1cc(OC)c(C(CC(=O)N2CCCC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2321922
+CCN(C(=O)c1coc(C(C)(C)O)n1)[C@@H](C)[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_654710
+CC/C(=N\OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(OCC(=O)O)c(C)c1,CHEMBL1644301
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1183906
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168420
+O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3(F)CC3)C4)sc2c1,bindingdb_1017610
+Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)sn2)ccc1OCC(=O)O,CHEMBL258732
+CCN(CC)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc([C@](O)(CC)C(F)(F)F)c(Cl)c1Cl,bindingdb_645379
+COCCOCCOc1ccccc1-c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL238340
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccc(OCCCCP(=O)(O)O)cc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,bindingdb_417639
+Cc1cc(O)ccc1-c1cocc1-c1ccc(O)cc1C,CHEMBL2332588
+Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1,bindingdb_475773
+O=C(NCc1cccnc1)c1cccc2c1C(=O)N(C1CCCCC1)C2,bindingdb_292614
+CC[S+]([O-])c1ccc(CC(=O)Nc2cc(-c3cc(C#N)cnc3OC)cs2)cc1,CHEMBL4169629
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC(F)(F)C3)c(C(F)(F)F)c2)s1,bindingdb_1182881
+CC(C)(C(=O)NN)[C@H]1c2ccccc2Oc2nc(-c3ccc(-n4cnnn4)cc3)ccc21,bindingdb_1054300
+Cc1cc(OC/C=C\C(C#Cc2ccccc2)c2cnc3ccccc3c2)ccc1OCC(=O)O,CHEMBL234908
+COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC,CHEMBL574787
+COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(O)n2)cc1,CHEMBL1398344
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC(Cc1ncc[nH]1)O2,bindingdb_646814
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C(C)(C)C)O2,bindingdb_647141
+COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1,CHEMBL2323490
+NC(=O)Nc1cc(CC(O)c2cccc(F)c2)ccn1,CHEMBL3643672
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)nc21,CHEMBL4173802
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)c1,CHEMBL245656
+CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1ccccc1,CHEMBL3781890
+CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL1473
+CC(C)c1cc(Cc2c(Cl)cc(OCC(=O)O)cc2Cl)ccc1O,bindingdb_965541
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)nc3)C3CCC3)c2F)[C@@H](O)C1,bindingdb_988967
+Cc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1,bindingdb_69172
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)ccc21,CHEMBL440758
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3N3CCOCC3)c3cccnc23)c(F)c1,bindingdb_654116
+Cc1cc(OCC(=O)O)cc(C)c1Cc1cc(C#Cc2ccccc2)c(O)c(C(C)C)c1,CHEMBL111953
+CC[C@@H](Oc1cccc(Cn2c(=O)n(-c3noc4cc(OC)ccc34)c3ccc(C(F)(F)F)cc32)c1)C(=O)O,CHEMBL1946955
+CC(C)c1ccc(N2CCc3cc(O)ccc3[C@@]2(c2ccc(/C=C/C(=O)O)cc2)C(F)F)cc1,CHEMBL4075184
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC,CHEMBL1485581
+C[C@](O)(COc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL125235
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC(Cn2c(=O)[nH]c3ccccc32)CC1,bindingdb_652584
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccc(S(N)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653663
+CCCCOC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230268
+CC1=C2c3ccc(O)cc3CC2(CCO)CCC1=O,CHEMBL379384
+CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1,CHEMBL3699395
+C[C@H](NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401324
+NC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464420
+CCCCCNC(=O)OCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1018241
+CCS(=O)(=O)CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652322
+CC(C)(O)COC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652660
+O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nc2c(s1)CCCC2,CHEMBL1421887
+CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,CHEMBL4079448
+Cc1cccc(CN2CCn3nnnc3C2c2ccccc2)c1,bindingdb_652975
+N#Cc1cc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)cs1,CHEMBL285139
+O=C1C=C2c3ccc(O)cc3CC2CC1,CHEMBL377622
+CCCCS(=O)(=O)NC(=O)OCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_263730
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183536
+Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OCC2CC2)c1,CHEMBL1091196
+COc1c(O)ccc2cc(-c3ccc(O)cc3)ccc12,CHEMBL195786
+Cc1nn(-c2ccccc2I)c2c1C(c1ccc(Oc3ccccc3)cc1)SC(C)C(=O)N2,CHEMBL2037334
+COC(=O)c1cc(O)ccc1-c1ccc(C#N)n1C,CHEMBL4087674
+O=C(O)c1cccc(-c2noc(C34CCC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CO4)n2)c1,bindingdb_1019085
+COc1nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1CC(F)(F)F,bindingdb_650482
+Cc1ccc2nc(-c3cccn3C)c(NCc3ccccc3)n2c1,CHEMBL4066026
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(CCC(N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653176
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccc(Cl)cc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4205561
+COc1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_651966
+N#Cc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017644
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@](C)(=N)=O)c2)cc1,CHEMBL4226421
+CCOc1ccccc1-n1c(SCC(=O)Nc2ccc(CC)cc2)nc2nnc(C)c-2c1N,bindingdb_584237
+CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2Cl)cc1,CHEMBL4088582
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccncc1F)CC2,bindingdb_402873
+CC#C[C@@]1(O)CC[C@@]2(CO)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL456214
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183833
+Clc1ccccc1-c1n[nH]c(-c2ccccc2)n1,CHEMBL1546037
+CC(C)C1CC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCO1,bindingdb_646702
+COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)[O-],bindingdb_122674
+CC(C)(Oc1ccc(CNC(=O)Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1)C(=O)O,CHEMBL253924
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361048
+COc1ccc(-c2nc(CSc3ccc(CC(=O)O)cc3Cl)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1079382
+Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1,bindingdb_112178
+CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL418971
+CO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(C)C)cc3)oc2C)c2ccsc12)C(=O)O,CHEMBL484409
+CCCCCCCCC[C@H]1CC[C@H](O)/C=C/[C@H](O)CC(=O)O1,CHEMBL2036278
+Cc1nn(C)c(C(=O)NCc2ccc(Cl)cc2)c1Cl,bindingdb_539888
+COC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_999656
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)c(F)c3)cc21,CHEMBL4300012
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccnnc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127416
+Oc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,CHEMBL183333
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCOC[C@H]3C)c(S(C)(=N)=O)c2)cc1,bindingdb_55037
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1183270
+Cc1cc(OCc2c(-c3c(Cl)cn(C)c(=O)c3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,CHEMBL466880
+C[C@H](O)C(=O)N1CC[C@H](N(Cc2cc(Cl)ccc2Cl)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590593
+O=C(O)Cc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c(F)c1,bindingdb_1017664
+Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)O)CC4)c3Cl)nc12,bindingdb_648133
+O=C(O)c1cccc(N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)c1,bindingdb_645713
+COc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)c(OCc3ccc(OC)cc3)c2)cc1,CHEMBL4240338
+O=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1,CHEMBL364666
+O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCc1ccc(C(F)(F)F)cc1,bindingdb_1003819
+O=C1C(=O)N(CCN2CCOCC2)C(c2cccc(Br)c2)C1C(=O)c1cc2ccccc2o1,bindingdb_953789
+CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O,DB12961
+COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1,bindingdb_55625
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2C[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184092
+Cc1cc(C#N)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCN(C4COC4)CC3)c1Cl)n2C,bindingdb_206279
+CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1,bindingdb_112162
+Cn1cc([C@@H]2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_647568
+Cc1ccc(-c2onc3ccc(C(=O)O)cc23)cc1,bindingdb_1000319
+O=C([C@H]1C[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_653769
+CC1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1,CHEMBL111480
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C3CC3)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647401
+NC(=O)C1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCOCC1,bindingdb_649045
+Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL605314
+CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)NCCN3CCOCC3)c2)cc1,bindingdb_1018248
+CC(C)(O)C1OC2CCC3(C)C(O)(CCC4Cc5c([nH]c6ccccc56)C43C)C2=CC1=O,bindingdb_1130870
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654397
+Cc1cn(Cc2c(Cl)ccc(C(=O)N3CC[C@H](C(=O)O)[C@H](C)C3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206561
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccnc(NS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649341
+Nc1nn(-c2cccc(F)n2)cc1-c1ccccc1,bindingdb_999849
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CC[C@H](n3cnnc3)[C@H](F)C2)cc1F,bindingdb_646227
+COc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,CHEMBL220627
+COc1ccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)cc1,CHEMBL2381205
+O=C(O)c1ccc(-c2nn(Cc3cccc(F)c3Br)c3cccnc23)c(F)c1,bindingdb_649814
+Cc1ccc(S(=O)(=O)N2C[C@H]([C@H]3C[C@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cc1,bindingdb_645060
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c2)CCN(Cc2ccccc2)C1,bindingdb_647314
+CC1(c2ccccc2)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL25415
+CC1(C)CCC[C@]2(C)[C@H]3CC[C@@H](CCCO)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12,CHEMBL2386488
+Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc4ccccc34)C[C@@H]1[S+]2[O-],CHEMBL2031527
+NC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646392
+CC(=O)N[C@@H](C)[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645280
+COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1,bindingdb_652072
+CCCOC(=O)N(CC(=O)O)Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1,CHEMBL1089500
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2C2CCCCC2)c2ccccc12,bindingdb_653578
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCCCc3ccccc3)cc12,CHEMBL602670
+CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,bindingdb_584397
+O=C(CC=Nc1cccc(F)c1)c1ccc2c(c1)OCO2,bindingdb_69260
+COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cn4c3C)c2Cl)CC1,bindingdb_647353
+O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1,CHEMBL3617313
+CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1,CHEMBL1766978
+CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21,CHEMBL200893
+CN1CCN(C[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)c3cc(NC(=O)c4c(Cl)cccc4Cl)cnc3O2)CC1=O,bindingdb_998286
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)cc1)C(F)(F)F,CHEMBL235060
+O=C(O)c1ccc(COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1,CHEMBL1526763
+CCC(C(=O)O)C1CCc2cc(OCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL199814
+O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCCCC1,CHEMBL125242
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(O[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1184015
+CCn1c(CCCc2ccc(-c3ccc(NS(=O)(=O)c4ccc(-c5ccc(OC)cc5)cc4)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264936
+Cc1ccc(S(=O)(=O)Oc2cc3c(c(OS(=O)(=O)c4ccc(C)cc4)c2)C(=O)O[C@H](C)CCCCCCC3)cc1,CHEMBL1669768
+Cc1ccc2nc([C@H](CC(C)C)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1,CHEMBL4102690
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(C(C)(C)O)s1,bindingdb_1130928
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CC(CC(=O)O)C3)c1Cl)n2C,bindingdb_206497
+Cc1cc[n+]2c3c(cccc13)CCC2.[Cl-],bindingdb_526073
+Oc1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1,bindingdb_584097
+Cc1ccc(-n2c(C)cc(C(=O)COc3c(CO)cc(F)cc3CO)c2C)cc1C,bindingdb_112156
+CCC1=C(c2ccc(O)cc2)C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21,CHEMBL383372
+CCc1nc2ccn(CC3CCCCC3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322442
+C[C@H](NC(=O)c1cc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F,bindingdb_645164
+CCCn1nccc1-c1ccnc(NC(N)=O)c1,CHEMBL3643654
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(F)c1Cl,CHEMBL1760401
+O=C1CN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCN1,bindingdb_649694
+COc1cc(CNC(=O)c2cc(-c3ccc(CC(C)C)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL473299
+Cc1cc(OC(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206209
+CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,CHEMBL1934583
+C[C@H](NS(C)(=O)=O)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3923131
+Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O,CHEMBL1080533
+C[C@@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1,bindingdb_1183111
+Cc1c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(F)(F)F)ccnc1OCCNCCCF,bindingdb_401980
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3)c1ccccc1,CHEMBL1579818
+COc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1,CHEMBL3589359
+Cc1noc(-c2ccc(N3CCN(c4ncc(CO)c(C(F)(F)F)n4)[C@H](C(C)C)C3)cc2S(C)(=O)=O)n1,bindingdb_1131016
+C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(Br)cc1,CHEMBL3678085
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@H]1C,bindingdb_647306
+Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)no1,CHEMBL1334930
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1081749
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H]3CCC[C@@H]3C#N)c2=O)nc1,bindingdb_652586
+CC1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1,CHEMBL164695
+COc1cccc(-c2noc(-c3cccs3)n2)c1,bindingdb_1000022
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc4c(c3)CCCC4)cs2)n1)C(=O)O,CHEMBL3094418
+CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1,bindingdb_584232
+O=S(=O)(c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL364924
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1C,bindingdb_1183178
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CC[C@H](CO)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263565
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C(C)=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963509
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)C3CCCCC3)s2)cc1,CHEMBL3105673
+O=C(O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1,CHEMBL518507
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)c3cc(Br)ccc32)cc1,bindingdb_846275
+Cc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1C,bindingdb_168524
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-],CHEMBL2348918
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3C3CCC3)sc3cc(O)ccc23)cc1,bindingdb_400875
+O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647381
+C=C1OC=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C,CHEMBL429114
+CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,CHEMBL3261331
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccoc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264927
+Cn1cnc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18633
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc(C(F)(F)F)c2OC)cc1,bindingdb_1127337
+CCOc1cc(F)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)cc1F,bindingdb_402002
+O=C(/C=C/c1ccccc1)c1ccccc1,CHEMBL7976
+Oc1c(Br)cc(Br)cc1C=NCc1ccc(F)cc1,bindingdb_1026220
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_646991
+Cc1ccc(-c2nc(COc3ccc(CC(OC(C)C)C(=O)O)cc3)no2)cc1,CHEMBL310426
+CC(C)CN(Cc1ccc(-c2cncnc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263706
+O=C1c2ccccc2C(O)C12N=Nc1n[nH]c(=S)n1N2,bindingdb_972710
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183966
+C[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)[C@H](Cc4ccccc4)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3137828
+O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3cccc(F)c32)c(F)c1,bindingdb_649430
+CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N=C(C)c2c(C)ccc(C)c2S3)CC1,bindingdb_55634
+Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccccc2)C3)cc1,CHEMBL271263
+O=C(Nc1cccc(-n2cnnn2)c1)c1cc2ccccc2o1,bindingdb_953887
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc(C(F)(F)F)cn4)cc3)ccc21,CHEMBL220570
+CC(C(=O)O)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1,CHEMBL573603
+CC(C)(C)OC(=O)n1c(-c2ccc(CCNC(=O)c3ccccc3)cc2)cc2ccccc21,CHEMBL391417
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,CHEMBL389621
+CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)NC(C)C)cc2)c1-c1ccccc1,CHEMBL370750
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_645917
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(CO)(CO)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263698
+N#Cc1ccc(N2C(=O)c3ccccc3C3(CCCC3)C2=O)cc1,CHEMBL480178
+COc1cc(S(=O)(=O)N2C[C@H](C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1F,bindingdb_645832
+CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1cccc2c1S(=O)(=O)CC2,CHEMBL3358952
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)Nc1nccs1,CHEMBL1491627
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_652520
+C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,CHEMBL2382127
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N2CC(N)C2)c(C(F)(F)F)n1,bindingdb_1130927
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CCC3)c2F)[C@@H](O)C1,bindingdb_988865
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(Sc2cccc3sc(C(=O)O)cc23)cc1,CHEMBL1835046
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1/C=C/c1cccnc1,CHEMBL4214029
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1F,bindingdb_645506
+Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)cc1C,CHEMBL3793229
+Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)nc(C(F)(F)F)cc12,bindingdb_206714
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccc(F)cc3F)c(F)c2)CC1,bindingdb_653888
+CC(C)(C)[C@H](O)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648539
+O=C(NC1CCOCC1)[C@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652701
+O=NCc1cccn1-c1cccc(C(=O)O)c1,bindingdb_831123
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-],CHEMBL233037
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNS(=O)(=O)C2CC2)[C@H]1C,bindingdb_645772
+C[C@H]1CC(O)CC[C@H]1C(=O)N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_649987
+CCC(C)NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3,bindingdb_539871
+Cc1c2c(cc(-c3cccc4cc[nH]c34)c1C(F)(F)F)[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682434
+CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,bindingdb_1004920
+O=C(NCC1CCCCC1)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1,CHEMBL3601092
+C=CC[C@@H]1Oc2ccc(OC#N)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL1090801
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2[nH]1,CHEMBL1940554
+FC(F)(F)c1cccc(CNc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)c1Cl,CHEMBL552518
+CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1OCC(F)(F)F,CHEMBL3596631
+N#Cc1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270946
+C[C@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1,CHEMBL2407672
+Cc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3S(=O)(=O)CC2)ccc1Cl,bindingdb_402660
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCc5sccc5C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017763
+O=C(NS(=O)(=O)C1CC1)c1ccc2nc(N3C4CC[C@H]3CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_263808
+CN(CCc1cnn(C)c1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_648922
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)cc1,CHEMBL3398451
+O=[N+]([O-])c1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)s1,CHEMBL2381202
+Cc1ccc(-c2cc(-c3ccccc3)no2)cc1,bindingdb_999785
+Cc1cc(C(F)(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1,bindingdb_403256
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1,bindingdb_1727
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2o1,CHEMBL1917253
+COC(=O)c1noc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)n1,bindingdb_757534
+CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL493033
+CC1CCN(C(=O)CCCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2348920
+COc1ccc(-c2noc(CCCC(=O)NCCc3ccccc3)n2)cc1OC,bindingdb_760633
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc([C@H]2CCCO2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271132
+CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(C(=O)c2ccccc2)c1C,CHEMBL1934432
+N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)c(F)c12,CHEMBL195280
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCNC(=O)C1COC1)O2,bindingdb_646683
+CN(C)C(=O)NC1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_654825
+O=C(c1ccccc1Cl)c1sccc1-c1cccc(C(F)(F)F)c1,CHEMBL4285419
+CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O,CHEMBL238357
+CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3)cn2)CCO1,bindingdb_558659
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)c(Br)c1C(c1ccccc1)O2,CHEMBL63768
+COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C,bindingdb_650941
+CC(=N)C(C#N)C(=O)CSc1ccc2c(c1)OCCO2,bindingdb_982753
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(C3CCCCC3)cs2)cc1,CHEMBL3105695
+N=C(NCCCOc1ccc(F)cc1)Nc1ccc(Cl)cc1,CHEMBL4084182
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(Cl)c(Cl)c5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_646622
+Cc1c(O)ccc2c1oc(=O)c1c(C)ccc(C)c12,CHEMBL380358
+CN(C)c1ccc2nc(-c3ccc(Cl)cc3)n(C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1,CHEMBL1642359
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CNCc3ccc(C(F)(F)F)cc3)cc2)cc1,CHEMBL3109223
+C[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccccc4F)cc23)CC1)C(C)(C)C,bindingdb_654273
+O=C(CC1(O)CCS(=O)(=O)C1)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649521
+COc1ccc(Oc2ccc(N3CC(=O)N([C@@H](CC(C)C)c4nc5ccc(C(=O)O)cc5n4C)C3=O)cc2)cc1,CHEMBL4059655
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(Cl)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640839
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1184289
+O=C(O)c1ccc2c(C(O)C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)ccnc2c1,bindingdb_1017483
+CC1CCCC(C)N1CC(=O)Nc1sc2c(c1C#N)CCC2,CHEMBL1536177
+Cc1nn(CCN2CCNCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(O)c12,bindingdb_18554
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(I)cc3CC[C@@H]12)N1CCOCC1,bindingdb_652745
+COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12,CHEMBL1421557
+Cc1ccc(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)nc1,CHEMBL605207
+CC[C@@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1,bindingdb_1182848
+CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2,bindingdb_112131
+Cc1ccccc1OCCCOc1ccc2c(c1)OCC2CC(=O)O,CHEMBL4292189
+Cc1cc(-c2ccc(O)cc2Cl)sc1-c1ccc(O)cc1Cl,CHEMBL2332577
+C[C@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1,CHEMBL3640835
+CO/N=C/c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3558973
+O=C(O)c1ccc2c(c1)CCc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1O2,bindingdb_1017717
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CHEMBL726
+CC(C)c1c(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OCC(F)(F)F)c2)cnn1C,CHEMBL3598251
+COc1cc(-c2nc(C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL220059
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(Br)c3)[C@@H]1C2,CHEMBL178404
+CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(N)c(C(F)(F)F)cc2[nH]1,CHEMBL376858
+CCCCN(C)C(=O)CCCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL373460
+O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1ccc2c(c1)nc(C(F)(F)F)n2Cc1cccc2c1OC(F)(F)O2,bindingdb_1127341
+CCCCCCSc1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1,CHEMBL551976
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183543
+Cc1nc(NC(=O)c2cccs2)ccc1Br,bindingdb_999572
+Cc1cccc(C)c1Sc1nn(-c2ccc(C(=O)O)cc2)c2ccc(C(=O)N(C)C)cc12,CHEMBL3920663
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC1,bindingdb_653235
+Cn1cccc1C(=O)NCC1COc2ccccc2O1,bindingdb_55645
+CCCCCCOc1ccc(-c2ccc(C(=O)CCN(C)C)cc2)cc1,CHEMBL561653
+CCN(CC)C(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1,bindingdb_672652
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CC(F)(F)C1,bindingdb_55049
+Cc1cc(-c2nc(-c3ccc(F)cc3)c3c(n2)[C@]2(C)CC(C(N)=O)C(=O)[C@H](C)[C@H]2CC3)ccn1,bindingdb_55008
+O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(C(F)(F)F)cc4)C2O3)cc1,CHEMBL3589364
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(C#N)c(F)c1,bindingdb_270851
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN(C)C)cc2)c2ccc(O)cc12,CHEMBL3657177
+CC1(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1,CHEMBL328388
+CCOC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_999839
+CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1,CHEMBL370567
+COc1cc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O,CHEMBL228655
+COc1cccc2c1-c1ccc3c(c1C(CC=C1CCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL49694
+N#Cc1ccc2c(c1)c(Oc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3977144
+O=C(O)COc1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)ccn1,bindingdb_1019112
+CCO[C@@H](Cc1ccc(OCc2ccc(COc3ccc(C[C@H](OCC)C(=O)O)cc3)cc2)cc1)C(=O)O,CHEMBL180926
+CCCNCC1COc2ccccc2O1,CHEMBL1625219
+CCCCCCCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3586193
+CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F,CHEMBL3893393
+C[C@](O)(Cn1nncc1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475983
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1,CHEMBL1391748
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_651876
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)C1=O,CHEMBL3403693
+CC(C)Oc1c(Cl)nc2ccc(C(O)(c3ccc(Cl)nc3)c3cncn3C)cc2c1Cl,bindingdb_646358
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL94753
+CCOC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL120744
+COC(=O)N[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647733
+CC(C)OC(Cc1ccc(OCCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O,CHEMBL80979
+CC[C@H](C)C1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(C#N)c(F)c1,bindingdb_270771
+O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CC[C@H](O)C1,bindingdb_55700
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F,CHEMBL237385
+CO[C@]1(C(F)(F)F)CC[C@H](CN2CCN(c3ccc(CO)c(S(C)(=O)=O)c3)C[C@@H]2C(C)C)CC1,bindingdb_1143447
+COc1cc(O)c2c(=O)n(-c3ccc(O)cc3)cnc2c1,CHEMBL379213
+CO[C@H]1CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_647183
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc[nH]n1,CHEMBL1565196
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CSc1ccccn1)O2,bindingdb_648400
+COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1,bindingdb_953809
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](C[C@H](CC)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_650401
+CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1,bindingdb_1026209
+COc1ccccc1C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1,CHEMBL2441109
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cccc(-c5ncco5)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018686
+CCOC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCN(C(C)=O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_648004
+CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12,bindingdb_112063
+COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc(O)cc3O)c2C)cc1,bindingdb_1681
+C[C@](O)(COc1ccccc1Cl)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238279
+CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL2334349
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O,CHEMBL3588882
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21,CHEMBL374346
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cccc(F)c3o2)c1)C(=O)O,CHEMBL398118
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1,CHEMBL563871
+Cc1ccc2nc(-c3cccnc3)c(NCc3ccccc3)n2c1,CHEMBL4079659
+CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1,CHEMBL3105820
+COc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356194
+CC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1,CHEMBL598155
+CCC/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)[N+](=O)[O-],DB08302
+COc1cc(C#N)ccc1Oc1cccc(C)c1,CHEMBL447604
+Cc1oc(-c2ccccc2)nc1CCCCC[C@H]1CO[C@@](C)(C(=O)O)OC1,CHEMBL270835
+COC(=O)c1ccc2c(=O)n(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=S)[nH]c2c1,CHEMBL1555033
+Oc1ccc(C2Sc3cc(O)ccc3OC2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)cc1,bindingdb_17630
+COc1cccc(CCNC(=O)c2cc(Oc3c(Br)cc(CC(=O)O)cc3Br)ccc2O)c1,CHEMBL238178
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c2Cl)s1,bindingdb_646912
+O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C1CC3(COC3)C1)C2)c1cnn2cccnc12,bindingdb_1127404
+CNc1nc(SC)nc(SCc2ccccc2)c1C(=O)O,CHEMBL1170853
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6ccc(O)c(Cl)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834544
+CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1,CHEMBL3358953
+Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2Cl)cc(C)c1OC(C)(C)C(=O)O,bindingdb_1002079
+CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1,CHEMBL1471823
+N#Cc1cnc2ccc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)nn12,bindingdb_1017886
+C[C@H](CCN)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138044
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3CC2)cc1,bindingdb_404102
+Cc1cc(NC(=O)NC(=O)c2ccccc2F)no1,bindingdb_69220
+C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(CN5CCCCC5)cc4)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2326071
+O=C1[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@]1(Cl)[C@]53Cl)[C@]24Cl,4mg5
+CC(C)CCOC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_999987
+O=C(O)c1cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(N2CC(O)C2)n1,bindingdb_1017406
+O=C(O)c1ccc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1017539
+O=C(O)/C=C/c1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2c1,CHEMBL1222036
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,DB14631
+CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL482857
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)O)c(C)c1Cl,CHEMBL3640834
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1C(=O)OC1CC(F)(F)C1(F)F,bindingdb_1143426
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC13)C2,bindingdb_653471
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cn(CS(C)(=O)=O)cn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654738
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1C(C)C,bindingdb_1184364
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cc1cncc(=O)[nH]1,bindingdb_652930
+Oc1ccc(Cc2ccc(O)cc2)cc1,CHEMBL138061
+CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CCNS(C)(=O)=O)CC3)cc2O1,bindingdb_1127413
+COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N)CC2,bindingdb_55585
+Cc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1,bindingdb_999646
+COc1ccccc1-c1ccc2c(c1)C(CSCCC(C)C)=CC(C)(C)N2,CHEMBL203350
+C=C[C@@H]1CO[C@@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL193704
+O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCCn1ccnc1,CHEMBL1452992
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCc3ccncn3)c(S(C)(=N)=O)c2)cc1,bindingdb_206578
+Cc1nn(CCc2nn[nH]n2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12,CHEMBL1505221
+COC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1,CHEMBL2381362
+Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,CHEMBL457
+O=[N+]1C=C(c2cc3ccccc3o2)N([O-])C2CCCCC21,bindingdb_1005010
+C#Cc1cccc2c1-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL1090805
+C=CC(=O)Oc1ccc(CCCCCCCC)cc1,bindingdb_481713
+CC(C)C(c1nncn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL552156
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2cccnc2)c2ccccc2)cc1,CHEMBL3990201
+Cc1cc(Oc2cccc(CNC(=O)c3ccc(OC(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)O,CHEMBL237305
+C[C@@H](COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1)N1CC[C@@H](CF)C1,bindingdb_961245
+C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3,CHEMBL518700
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cocn1,bindingdb_654483
+CCc1ccc(NC(=O)CSc2nc(C)cc(O)n2)cc1,CHEMBL1525514
+CC1(C)[C@H]2CC[C@]1(c1cc(Cl)cc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653418
+CCc1ccccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_401244
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)cc2c(Cl)cc(C#N)cc21,bindingdb_206238
+O=C(O)c1cc(C2CC2)c2nc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1019008
+COc1cc(C#N)cc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C5CCCC5)[C@@H](C)C4)cn3C)c2C)c1,bindingdb_646772
+CN(C)C1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CC1,bindingdb_648453
+CC(=O)NC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646267
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2349047
+O=C(O)c1ccc(COc2ccccc2Cl)cc1,CHEMBL1423704
+O=C(c1cccc2ccccc12)N1Cc2ccccc2CC1COCc1ccccc1,CHEMBL2030064
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C(C)(N)C(F)(F)F)O2)C(F)(F)F,bindingdb_647329
+Fc1ccc(-n2nnc(-c3cccnc3Cl)n2)cc1,bindingdb_1000211
+CNC(=O)OC1C[C@]2(C)C(=CC1O)C=C1C(=C(C)C(=O)N1C)[C@H]2C,bindingdb_114679
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C(C)C)c2=O)nc1,bindingdb_647071
+CCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,bindingdb_45535
+O=C(N(CC12CCC(c3cnc(C(F)(F)F)nc3)(CC1)OC2)c1cccc(-c2noc(C(F)F)n2)c1)C12CC(F)(C1)C2,bindingdb_1017673
+CCc1c(C)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)[nH]c1=O,bindingdb_292645
+CCCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)OCC,CHEMBL3764450
+CC(C)OC(=O)C1=CN(C(=O)C2CCCCC2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL568235
+NC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270590
+CC(C)(C)c1cc(C(=S)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O,bindingdb_112238
+C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL3895273
+O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)ccc43)c2Cl)CC1,bindingdb_206635
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961368
+Cc1cc(SC(CC(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035071
+O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,CHEMBL151
+CC(C)NC(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_648724
+CS(=O)(=O)Oc1ccc(CC(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_988882
+c1ccc(OCc2nnc3sc(C4COc5ccccc5O4)nn23)cc1,CHEMBL1481770
+CCCCCS(=O)(=O)NC(=O)C(C)Cc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2024607
+Oc1ccc(-c2nc3cc(O)c(Cl)cc3o2)cc1,CHEMBL362356
+CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2CC1,CHEMBL1545045
+COc1ccc(C(=O)OCC(C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1,CHEMBL218234
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(Cl)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263799
+COC(=O)c1ccc(NC(=O)C23CCC(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c(Cl)c1,bindingdb_1017629
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCc4ccccn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017883
+CCOc1ccc(C=CC(C)N=O)cc1,bindingdb_982708
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)[C@H]3C(C)C)nc1,bindingdb_271141
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(N)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(=O)OC)n1,bindingdb_649709
+Cc1cc(OC(Cc2ccccc2)C(=O)O)cc(C)c1-c1ccccc1,CHEMBL2312710
+CC(C)(O)CC1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)cn1,bindingdb_1143230
+COC(c1ccc(OC(F)(F)F)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,CHEMBL3103200
+CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O,1m13
+Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2Cl)s1,CHEMBL2332601
+Cc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N,CHEMBL1672541
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ncnn3CS(C)(=O)=O)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654016
+CC(C)(C)OC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,bindingdb_1074190
+N#Cc1ccc(C(O)(C2CC2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3819048
+CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,CHEMBL1597481
+OC1(c2ccc(F)cc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,CHEMBL2346970
+C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,CHEMBL269277
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ncc1F,bindingdb_1004571
+Cc1ccc(C(=O)O)c2ccc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc12,bindingdb_1017857
+Cc1c(Oc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1,CHEMBL522772
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017617
+COc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C)C2)cc1,CHEMBL415099
+CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(=O)O,CHEMBL551479
+CCC1CCc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,CHEMBL3706874
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N[C@@H]4CCC[C@@H]4O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263596
+CCCNS(=O)(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4097562
+Cc1cccc(S(=O)(=O)C23CCN(C(=O)[C@@H]4CCC(=O)N4C)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)c1,bindingdb_654889
+COCC(=O)N1Cc2cc(S(=O)(=O)C3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645848
+CCCc1cc2c(=O)n(C3CCCCC3)oc2c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL190169
+C=C(c1ccc(C(OCc2c(F)cccc2F)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1,bindingdb_651892
+CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1,CHEMBL372181
+Cc1ccc(/N=N/c2cc(C)ccc2N)cc1,bindingdb_999576
+CCS(=O)(=O)c1ccc(C(C)(CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270965
+Oc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccccc2)cc1,CHEMBL189178
+COc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCCN3CCCCCC3)cc2)cc1,CHEMBL3657140
+O=C(N1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645228
+Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Cl)=C3Cl)cc1,CHEMBL1577870
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648587
+COc1ccc2c(c1)C[C@@H](C)N(CC(C)C)[C@@H]2c1ccc(/C=C/C(=O)O)cc1,CHEMBL3774652
+CC[C@@]12CCC(=O)C(C3CC3)=C1c1ccc3[nH]ncc3c1C2,CHEMBL209623
+Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1,bindingdb_1000281
+Cc1cnc(N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2C(C)C)cn1,bindingdb_1130806
+Fc1ccc(F)c(C2c3nnnn3CCN2Cc2cccs2)c1,bindingdb_651847
+COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccco2)c1,bindingdb_292652
+CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N(C)C)cc3)nc2Oc2c(F)cccc21,CHEMBL3315050
+Cc1c(NCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_400955
+CC1(Nc2cc(C(F)F)c(-c3sc(C(=O)NC4CCS(=O)(=O)CC4)nc3C(=O)N3C4CCC3CC4)cn2)CCC1,bindingdb_1184143
+CCO[C@H](Cc1cccc(C2=NOC(CCc3ccccc3)C2)c1)C(=O)O,CHEMBL489559
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)=O)O2)C(C)=CC(C)(C)N3,CHEMBL244535
+CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](CC(=O)O)C1,CHEMBL3398464
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183754
+COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C(=O)O)c2)c1C,bindingdb_745816
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(NCC(F)(F)F)cc1OC,bindingdb_1184051
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl,bindingdb_584130
+CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(N(C)C)cc2C1=O,bindingdb_1127360
+Oc1ccc2cc3c4cc(Br)ccc4nc-3oc2c1O,CHEMBL1597177
+O=C(O)CO[C@H]1CC[C@H](NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)nc3)nc3cc(F)c(F)cc32)CC1,CHEMBL1668252
+Cc1cc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL243691
+C=CC(=O)c1ccc(CCCCC)cc1,CHEMBL235113
+COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O,bindingdb_17495
+C[C@@H](CS(C)(=O)=O)c1ncn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_653485
+Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4243162
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(F)C(F)(F)F)cc4CCC23)CC1,bindingdb_652563
+CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(F)cc1F)c1ccccc1,CHEMBL3678098
+Cc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12,bindingdb_988716
+Oc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(F)cc3)sc2c1,CHEMBL3764615
+CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F,CHEMBL3818405
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(C(C)(C)C)cc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL231798
+CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C,bindingdb_584364
+COc1cc(/C=C/c2ccc(C3=C(c4ccc(O)cc4)C4CC(S(=O)(=O)Oc5ccccc5)C3O4)cc2)cc(OC)c1,CHEMBL4214230
+COC1CN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C1,bindingdb_648645
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccc(C(F)(F)F)cc1,bindingdb_417544
+CN(C)S(=O)(=O)N1CCC(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,bindingdb_653620
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCCC2)cc1C(F)(F)F,bindingdb_1182793
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3cccc(Cl)c3)C2)c1,bindingdb_68686
+COc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1,CHEMBL3290286
+N#Cc1cc(F)cc(-c2ccc3nc(O)n(-c4cccc(Cl)c4)c3c2)c1,CHEMBL190583
+CC(C)CN(Cc1ccc(NC2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647311
+Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(C#N)cc1,CHEMBL3261427
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(S)CCS,CHEMBL379050
+Oc1ccc2c(c1F)OCCC(c1cccc3c1CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403034
+COc1ccc(C(=O)NC(=O)Nc2cc(C)ccn2)cc1,bindingdb_584115
+CC(=O)Nc1cc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc23)ccc1C(=O)O,bindingdb_654876
+O=[N+]([O-])c1ccc(COc2ccc(CN3CCOCC3)cc2)cc1,bindingdb_55558
+O=S1(=O)CCC(c2ccc(Cl)cc2F)=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc21,bindingdb_402548
+Cc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C,CHEMBL3582112
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3C[C@H]4CCC3C4)CC1)cn2C,bindingdb_645377
+CC(=O)NC[C@H]1CN(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648327
+C=CCc1cc(S(=O)(=O)[C@@H]2CN(C(=O)N3CCN(C(C)=O)CC3)C[C@H]2c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)ccc1F,bindingdb_646528
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C3CC3)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645551
+Cc1cc(C)c(S(=O)(=O)NCc2ccncc2)c(C)c1,bindingdb_539790
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3cccnc23)cc1,CHEMBL3598143
+CC1(C)C2CCC(NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(O)ccc5CC[C@@H]34)C1C2,CHEMBL197522
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1612880
+C[C@H]1C[C@@H](C)C(=O)[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1,bindingdb_539879
+COc1cc2cc(C(O)(c3sc(C)nc3C)c3cnnn3C)ccc2nc1-c1ccccc1,bindingdb_646248
+O=S(=O)(c1ccc(F)cc1)N1CCNc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL4208087
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@@](C)(O)C(F)F)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647466
+COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12,bindingdb_760168
+CCn1nc(C(=O)NC[C@]2(C#N)CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183958
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc5ccccc45)oc3C)ccc21,CHEMBL382718
+C[C@@H](C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](O)CC(=O)O,CHEMBL3138037
+Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3ccc(-c4ccccc4)c4ccccc34)n2)c1C,CHEMBL1089827
+Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)CC(C)(C)N2,CHEMBL134260
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1081964
+CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C,bindingdb_760242
+NC(=NN=Cc1cccc(O)c1)c1nonc1N,bindingdb_672589
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC34CC(C(=O)O)(C3)C4)nc2CC2CCCCC2)c2ccccc12,CHEMBL4127765
+CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_402822
+COc1nc2ccc([C@@](O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1,bindingdb_651049
+Cc1cccc(C#C[C@]2(O)CC[C@H]3[C@@H]4OCC5=CC(=O)CCC5=C4[C@@H](c4ccc(N(C)C)cc4)C[C@@]32C)c1,CHEMBL395706
+Clc1ccc(/C=C\c2cc(Cl)cc(Cl)c2)cc1,CHEMBL361413
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(F)c3)[C@]1(C)C2,CHEMBL178364
+Cc1ccc(NC(=O)c2ccccn2)c(Br)c1,bindingdb_672488
+CCO[C@H](Cc1cccc(/C(C)=N/OCc2ccccc2)c1)C(=O)O,CHEMBL521796
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCC(F)(F)C(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL3746058
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)cn3)[C@@H](c3ccccc3)C2)c1,bindingdb_125926
+Cc1cc(C)c(S(=O)(=O)NC(C)Cc2c[nH]c3cc(C)ccc23)c(C)c1,CHEMBL243869
+Clc1ccccc1Nc1nnc(-c2ccncc2)s1,bindingdb_1000240
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2)c1c(F)cccc1Cl,bindingdb_998171
+CC[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)cc1,bindingdb_1017706
+Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2-c2cccnc2)c(C)c1,CHEMBL1440196
+Oc1ccc2c(c1)OCCC(c1ccc(Cl)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402031
+CCCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL374296
+Oc1ccc2c(c1)OCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402033
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(C)c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL429794
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_646327
+CCCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1,CHEMBL3695899
+Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2cccc(Oc3ccccc3)c2)o1,CHEMBL1592326
+CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2ccccc21,bindingdb_539814
+[C-]#[N+]c1ccc(-c2nnc([C@@H](CO)Nc3ccc([N+]#[C-])c(Cl)c3C)o2)cc1,CHEMBL3640875
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653549
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCC4CC4)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL537921
+C/C=C/C1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)CN1,CHEMBL4088559
+Oc1ccc(-c2csc(-c3ccc(O)cc3Cl)c2)c(Cl)c1,CHEMBL2332571
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)N[C@H]2C[C@H](O)C2)cc1F,bindingdb_648602
+CCc1cc(C(C)=O)c(OC2CCCC2)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114114
+CCCCNc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1173165
+O=C(c1cncs1)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648014
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2nccn2)cc1,CHEMBL593796
+Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1,CHEMBL1093266
+COCCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1,CHEMBL3318057
+CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,CHEMBL3916929
+O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1,CHEMBL3335644
+O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)OCO2,CHEMBL1577029
+CCOc1ccc2c(c1)c(Oc1cccc(C(F)(F)F)c1)c(C(=O)O)n2-c1ccc(C(C)(C)C)cc1,CHEMBL198266
+Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)ccc1OCC(=O)O,CHEMBL4242129
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)C(CC)(C(=O)OC)c1ccccc1,CHEMBL215167
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3Oc3ccccc3)cs2)cc1,CHEMBL4167413
+O=C(Nc1ccc(Cl)cc1)c1ncc2c(cnn2-c2ccccc2)c1Cl,bindingdb_18557
+COc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(Cl)cc4C(=O)O)c3)c2c1,bindingdb_598406
+CS(=O)(=O)C1CCC(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,CHEMBL3896582
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)CC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017652
+CC(C)c1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1,CHEMBL203122
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CSC(C)(C)C)O2,bindingdb_647697
+Cc1cc(CN2CCN(Cc3ccncc3)CC2)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3313985
+CN(CC(=O)N1CCc2ccccc2C1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348925
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCC3COc4ccccc4C3)cc12,CHEMBL3695824
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)CCCCc2ccccc2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1269462
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)C(=O)c2cccc(C(=O)O)c2)c(C(F)(F)F)n1,CHEMBL1209058
+CCc1cccc2c(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)c[nH]c12,CHEMBL1577757
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cnn(CC(F)(F)F)c2)cc1,bindingdb_123874
+CCO[C@@H](Cc1ccc(OC/C=C(\C#Cc2ccccc2)c2ccccc2)cc1)C(=O)O,CHEMBL234909
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NS(=O)(=O)c3ccccc3F)ccc21,bindingdb_652129
+C[C@@H](CN1CCOCC1)n1/c(=N\C#N)[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc21,CHEMBL4101755
+CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(F)ccc3o2)c1)C(=O)O,CHEMBL398117
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CN(C(C)=O)C1,bindingdb_654555
+CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2,CHEMBL3437087
+CC1CCN(c2cc(C(F)(F)F)c(C#N)cn2)CC1,CHEMBL249072
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183068
+CN1CC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1=O,bindingdb_654921
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401511
+COC(=O)c1ccc(-c2cn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3cccnc23)c(F)c1,bindingdb_646595
+COc1ccc(NC(=O)c2ccco2)cc1N,CHEMBL1576748
+COc1ccc(NC(=O)CSc2ncnc3n[nH]cc23)cc1,bindingdb_292585
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c(C(F)(F)F)c1,CHEMBL4128665
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL218094
+Brc1cccc(C2c3nnnn3CCN2Cc2cccs2)c1,bindingdb_653016
+Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1,bindingdb_476141
+Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1,bindingdb_1016131
+O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccc(Cl)cc43)cc2)S1,CHEMBL4125720
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(O[C@@H]3CCOC3)cc(C(=O)O)cc2s1,bindingdb_1018412
+Cc1cc(C)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL232452
+N#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL363498
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1,CHEMBL3966165
+CCc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Cc2cccc(S(C)(=O)=O)c2)c1,CHEMBL606756
+N#Cc1ccc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)s1,CHEMBL2381208
+Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCC4)cc3)c21,CHEMBL371308
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc12,CHEMBL3699421
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C4CC4)cc2)[C@H]3C(C)C)cc1,bindingdb_270907
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C#N)cc2)c2ccc(Cl)c(Cl)c2)cc1,CHEMBL3799398
+O=C(c1cc2sccc2n1Cc1ccccc1)N1CCc2ccccc21,CHEMBL1324684
+Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1,CHEMBL213665
+NC(=O)[C@@H]1CC(F)(F)CN1C(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_654048
+CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1,CHEMBL10041
+NS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_108421
+CC(C)(c1nc2nccnc2[nH]1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054337
+Cc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643201
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cc(Cl)cc3F)cc12,bindingdb_652372
+CCCCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)(Oc1ccccc1)C(=O)O,CHEMBL82193
+COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,bindingdb_69222
+CCc1onc(-c2c(F)cccc2C(F)(F)F)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL101327
+CO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CHEMBL182884
+C[C@H](C(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138052
+Cn1ccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_18568
+Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)no1,CHEMBL1450791
+NC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1,CHEMBL3643678
+O=C(O)C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645820
+CCCCCCOc1cc(C(C)C)c(C(=O)CCN(C)C)cc1C,CHEMBL560114
+O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC(F)(F)F)ccc2[nH]1,bindingdb_964689
+Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(Br)cc2)o1,bindingdb_87229
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CC[C@@H](F)[C@H](O)C3)c2Cl)cc2ccc(C(F)(F)F)cc21,bindingdb_652733
+NC(=O)c1cc(F)cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596596
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC(O)(C(C)(C)O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,bindingdb_645648
+O=C(COC(=O)c1cccs1)NCc1ccco1,CHEMBL1506123
+Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1,CHEMBL1535180
+Cn1c(Cc2c(C3CC3)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)cc2ccc(OC(F)(F)F)cc21,bindingdb_206598
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CC[C@@H](n3cnnc3)[C@H](O)C2)cc1F,bindingdb_646842
+CCCCn1cnc2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_417484
+CC(C)(O)CNC(=O)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652471
+COc1nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_650752
+CCn1c2ccccc2c2cc(N(C)C(=O)CC(C)CC(=O)N(C)c3ccc(C#N)cc3)ccc21,CHEMBL4226430
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(Cl)cc2)c1)C(=O)O,CHEMBL490220
+CC(NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCC2)c2ccccc12)C(F)(F)F,bindingdb_646191
+CC(C)(C)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3CC2)cc1,bindingdb_17603
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1C2CCC(C2)[C@@H]1CO,bindingdb_650703
+CC(C)c1ccc(NC(=O)c2cnc3c(c(F)nn3C)c2Cl)cc1,bindingdb_168525
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,bindingdb_584145
+COc1cc(O)c(C#N)c2cc(-c3ccc(O)cc3)oc12,CHEMBL187115
+Cn1c(COc2cc3c(s2)CCC(C(C)(C)C)C3)nnc1SCCC(=O)O,CHEMBL4292370
+Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(=O)O)n2)c1C,CHEMBL512563
+CC(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)c(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206372
+C[C@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652408
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)/C(=C/c5cccnc5)C[C@H]4[C@@H]3CC[C@@H]12,CHEMBL562780
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)(C)C(=O)O)CC3)c1Cl)n2C,bindingdb_206376
+CC(C)(C)CN1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_647994
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N[C@H]4CCC[C@H]4O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017890
+CCOC(=O)C1=C(c2ccc(Cl)cc2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-],CHEMBL249442
+Cc1ccc(NC(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)c(Br)c1,bindingdb_292557
+CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2F)cc1,CHEMBL4094881
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c3cc(Br)ccc32)cc1,bindingdb_846304
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1,bindingdb_1143198
+COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1,bindingdb_988854
+Oc1ccc2c3c(cnc2c1)-c1ccc(Cl)cc1O[C@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050113
+CCCc1c(OCCCOc2cccc3c2ccn3CCC(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL381876
+NC(=O)C1CCN(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)CC1,bindingdb_1781
+CC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1,CHEMBL50995
+Cc1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)[nH]n1,bindingdb_1004698
+O=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,bindingdb_650890
+Cc1c(C(O)(c2ccc(Cl)o2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3819469
+O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)cc2N1,CHEMBL1929035
+COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCOC4)cc1,bindingdb_760181
+COc1ccc(O)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)c(O)c3)c2C)c1,bindingdb_356253
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)NS(=O)(=O)C2CCOCC2)cc1,bindingdb_1017851
+CC(=N)/C(C#N)=C(/O)CSc1nnc(Cc2ccccc2F)n1N,CHEMBL3207950
+Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(F)c2c(c1)NC(=O)CO2,CHEMBL1929040
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183102
+CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)n(C)c1=O,CHEMBL1374536
+CC(C)(O)[C@H](F)CNC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1,bindingdb_646773
+O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL4075236
+CS(=O)(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_650923
+O=C(OCc1ccccc1)N1CC[C@@](c2ccc(I)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_649245
+Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C3)c1,CHEMBL4096930
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4cccc(Cl)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_654665
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL262810
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H](NC(C)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(=O)OC)n1,bindingdb_645262
+CCCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL398737
+Cc1cccc(-c2ccc3c(c2C)NC(=O)CO3)c1,CHEMBL4067551
+CN1CC[C@@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL563341
+CCCCN(c1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760413
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3CC4CC[C@H]3C4)CC1)cn2C,bindingdb_651982
+CCCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL484606
+C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL340668
+Cc1cc(O)cc2c1-c1ccc(O)c(C)c1OC2,CHEMBL206582
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4OC)nc3n(C(C)C)c2=O)nc1,bindingdb_651619
+Cc1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n2ncnc2n1,bindingdb_1004665
+COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CCC[C@@H]12,CHEMBL1076306
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1[N+](=O)[O-],CHEMBL2349041
+O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cccc(Cl)c43)c2Cl)CC1,bindingdb_206618
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4160734
+Cn1c(C(C)(C)[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)n[nH]c1=O,bindingdb_650061
+Cc1ccc(C#CC(O)(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070448
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(Cl)c1,bindingdb_481615
+CC(C)(Oc1ccc(Cl)cc1)C(=O)O,CHEMBL683
+CC(C)(Oc1cccc(CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O,CHEMBL322690
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2F)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3678158
+CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(=O)O,CHEMBL1172019
+CCO/N=C(\C)C(Cc1ccc(OCCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O,CHEMBL230411
+O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1,CHEMBL3360845
+CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_206682
+Cc1ccc(C(N)=NOC(=O)c2ccco2)cc1,bindingdb_1000359
+c1ccc(-c2noc(-c3ccccc3)n2)cc1,CHEMBL2069933
+COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_403930
+N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4ncsc4c3)s2)cc1,CHEMBL1344739
+Cc1cnc(-n2cnc(CCS(C)(=O)=O)n2)nc1[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_650573
+CCOC(=O)c1ccc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130859
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCN(C(=O)C(C)(C)C)CC4)cc3C(F)(F)F)c(Cl)c2)cc1,CHEMBL4173830
+CCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2,CHEMBL2336987
+CC1=CC[C@]2(O)C[C@H]1[C@H](c1ccc(O)cc1F)OC2(C)C,CHEMBL369337
+CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)O)c(C)c1,CHEMBL213355
+COc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1C,bindingdb_356244
+O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO)C1,CHEMBL257669
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3)Nc1ccccc1,CHEMBL1300008
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4C4CC4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652010
+Brc1cccc(CN2CCn3nnnc3C2c2ccccc2)c1,bindingdb_651813
+CC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,CHEMBL549746
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC(O)CO)c(S(C)(=N)=O)c2)cc1,bindingdb_54985
+OC(C#CCN1CCCC1)(c1ccccc1)c1cccc(F)c1,bindingdb_112096
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2ccc(Cl)cn2)[C@H]3C(C)C)cc1,bindingdb_270823
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CC1,bindingdb_1183164
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCN(C)C(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018971
+Cc1ccccc1-c1onc(-c2cccc(CC(=O)O)c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl,CHEMBL218384
+CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(c5ccc(OC)cc5)CC4)CC3)sc2n1,bindingdb_539813
+Cc1noc(C)c1CSCC(=O)N1C[C@@H](C)N(c2ccccc2)[C@@H](C)C1,bindingdb_475713
+O=C(c1c(Cl)cccc1C1CC1)c1nc(C2=CCC(C(=O)O)CC2)c2ccccn12,bindingdb_998346
+Oc1ccc(C2=C(Cc3ccccc3)c3ccc(O)cc3C2)cc1,CHEMBL199140
+Cc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc(C#N)c1Cl,CHEMBL3819002
+Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)c1,CHEMBL2316561
+CCCc1nn2ccc(C(=O)NC(CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,CHEMBL3115245
+Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCCC3)cc2)cc1,CHEMBL3657168
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCO)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022126
+CC(C)c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)cc1,bindingdb_107882
+CCc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1,CHEMBL236875
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CC1(F)F,bindingdb_653573
+COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1,bindingdb_953935
+CC(=O)Oc1ccc(CCc2cc(C)c3c(c2)NC(=O)CO3)c(C)c1,CHEMBL4102708
+CCOC(=O)C1=C(CC)NC(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1,CHEMBL2385915
+C/C=C/c1cccc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL380452
+CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,CHEMBL595
+O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Br,CHEMBL486205
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(C(N)=O)s1,bindingdb_1143206
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1184057
+O=[N+]([O-])c1cnc(Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1,bindingdb_91220
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cn2)N1CC(C)(C)F,bindingdb_401422
+CC(=O)N1CCN(C(=O)[C@@H]2CC[C@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@H]23)CC1,bindingdb_646449
+CCOc1ccc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1017774
+O=C1CCC(=O)N1CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1088337
+COc1ccc(C2NC(=S)N=C3C(=C4SCCS4)CCCC32)cc1,bindingdb_658468
+CCCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL188957
+CCC(Cc1ccc(OC)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL120611
+Cc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1,CHEMBL3985767
+Cn1ccc2cccc(CNc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)c21,CHEMBL558496
+Cc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1,bindingdb_760627
+Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccccc2)ccc1OCC(=O)O,CHEMBL1643197
+CC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965624
+COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC,bindingdb_539865
+Oc1ccc2c(c1)CCC1(CCCC1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961276
+C[C@@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL391909
+CC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2,CHEMBL3617302
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H]([C@@H]1C[C@H]1C(=O)O)O2)C(F)(F)F,bindingdb_645047
+O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2o1,bindingdb_999845
+CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL187557
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCCCCC(=O)NO)nn2)cc1,bindingdb_475654
+CC1(C)OC(S)=Nc2ccc(-c3cncc(Br)c3)cc21,CHEMBL25556
+CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL4087902
+COCCn1cccc1[C@@](O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,4dk8
+COc1cc(/C=N/n2nnnc2N)ccc1OCc1c(C)n[o+]n1[O-],bindingdb_292622
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/Oc3ccccc3)CC(C)(C)N4)cccc12,CHEMBL1762205
+Cn1cc(N(Cc2ccc(CO)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL481746
+C[C@@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3cccc(O)c3)cc2)C1,CHEMBL183067
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)(F)F)cn2)[C@H]3C(C)C)cc1,bindingdb_271157
+O=S(=O)(c1ccc(F)cc1)[C@@]12CCN(c3ccccc3F)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_645454
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403732
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](Cn1cncn1)O2,bindingdb_645842
+C[C@@H](O)Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_651660
+CCOc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1,CHEMBL4165852
+Cc1ccc(-c2nnn(CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)n2)o1,CHEMBL1402012
+Cc1cccc(S(=O)(=O)N2C[C@H](C)Oc3ncc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1,bindingdb_998124
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(CC2CCN(CC(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_206236
+N#Cc1ccc(OC2CCCCC2C#N)cc1C(F)(F)F,CHEMBL251552
+CCc1c(C(=O)OC)cc2c(c1O)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O,CHEMBL253120
+COc1cccc(OC)c1-c1noc(C2CC2)c1COc1ccc(C2(O)CN(c3ncc(C(=O)O)cc3F)C2)c(Cl)c1,bindingdb_1017524
+O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1,CHEMBL1349449
+[O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC12CCCCC2,bindingdb_760405
+O=c1[n-]/c(=[NH+]\c2ccc(Br)cc2)sc2ccc([N+](=O)[O-])cc12,bindingdb_91298
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1,CHEMBL3764004
+C[C@H]1[C@@H](C(C)(C)O)CCN1c1ccc(C#N)c2ccccc12,CHEMBL3402232
+O=C(c1ccccc1)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_650855
+COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1,bindingdb_526034
+O=S1(=O)c2ccc(O)cc2CCN1c1ccccc1Cl,CHEMBL378581
+Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,CHEMBL51483
+CCC(C)CSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL204332
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cc(F)c(=O)n(C)c2)c1)c1ccccc1,CHEMBL4209216
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2cccnc2)C1,CHEMBL1545631
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc5ccsc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263604
+O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1,CHEMBL1431688
+CO[C@H]1CCN2N=C(c3ccc(C#N)c(Cl)c3C)[C@@H](OC)[C@H]12,CHEMBL3326459
+CC1(C)[C@H]2CC[C@]1(CN(CC(F)F)C(=O)c1cccc(O)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648947
+CCCNC(=O)c1sc2c(c1C(=O)Nc1ccccn1)CCCC2,bindingdb_292550
+Cc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C(C)C)CC4)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_646184
+CC1CN(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C,CHEMBL195465
+O=C(O)c1ccc(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)nc1,bindingdb_1017686
+CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018233
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)cc21,CHEMBL4163066
+CCC(=O)O[C@]1(C(=O)SCCCCP(=O)(O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,bindingdb_417315
+O=C(O)Cc1ccc(N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1,CHEMBL2087282
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)CCc1ccccc1,CHEMBL568868
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(CO)s1,bindingdb_1130965
+CCC(C)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21,bindingdb_647605
+O=C(O)c1ccc(-c2nn(S(=O)(=O)c3ccccc3C(F)(F)F)c3ccccc23)cc1,CHEMBL3314009
+CC(C)n1nc(NC(=O)NCCO)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598280
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(C)cc2C(=O)O)c1,CHEMBL473961
+O=C1NCC(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)c2ccccc21,bindingdb_648763
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)N(C)CCC(C)(C)O)c(C(F)(F)F)n1,bindingdb_1130913
+CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1,CHEMBL4069917
+O=C1C(=O)N(CCc2ccccc2)C(c2ccncc2)C1C(=O)c1cc2ccccc2o1,bindingdb_87306
+COc1ccc(OC)c(-c2nc(C)c(C(=O)c3ccc(C(C)(C)C)cc3)n2C)c1,bindingdb_356247
+O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)c1,CHEMBL585473
+Nc1ccccc1N/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,CHEMBL1333664
+CCS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590863
+CCC(OC)C(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_650815
+COc1ccc(NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cc1,bindingdb_654020
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(/C=C/c2ccc(O)c(O)c2)cc1,CHEMBL574342
+CC(C)(c1nc2nccnc2[nH]1)[C@@H]1c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2Oc2c(F)cccc21,bindingdb_1054263
+CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)c1,CHEMBL1391679
+O=C(N[C@H]1CCC[C@@H]1O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183291
+CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F,CHEMBL401458
+CCNCc1ccc(OCCCN2C(=S)N(c3ccc(C#N)c(Cl)c3)C(=O)C2(C)C)c(Cl)c1,bindingdb_511725
+CC(=O)N1CCC(CCn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_417300
+CC(C)OC(=O)C1=CN(C(=O)c2cccs2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL578756
+CCCCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccc(O)cc1,CHEMBL491433
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@H](C)O)CC[C@@H]23)C[C@H]1O,CHEMBL3085139
+CC(C)(c1ccccc1)c1ccccc1,bindingdb_60916
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(C(=O)NS(C)(=O)=O)cc2)c(C(F)(F)F)n1,CHEMBL1209112
+Cc1cccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c1,CHEMBL272466
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](C)CC2CC2)cc1OC(F)F,bindingdb_1183143
+CCO[C@@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O,CHEMBL489766
+O=NCc1ccn(-c2ccc(Br)cc2)c1,bindingdb_55651
+CN(C)CCCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)C1c1ccccc1,bindingdb_87272
+O=C(NS(=O)(=O)C1CC1)c1ncc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018028
+CN(C)CC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_653043
+Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1,bindingdb_1000296
+Oc1cc(C(F)(F)F)c2cc3c(cc2n1)NCC3,CHEMBL166323
+CCn1cc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)c(C)n1,CHEMBL1410526
+O=C(NS(=O)(=O)C1CCOCC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(C3CCC4(CC3)CC4)noc2C2CC2)c(F)c1,bindingdb_1018582
+COc1ccccc1C(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1,bindingdb_1000050
+Cc1cc(-c2c(C)nn(C)c2-c2ccc(F)cc2)cc2c1OCC(=O)N2,CHEMBL3337728
+CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)CC(C)c2c1[nH]c1ccccc21,CHEMBL453098
+O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCC(OCc2cccnc2)C1,bindingdb_112165
+CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL18797
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)N(CCCl)CCCl,CHEMBL3273977
+Cc1cc(Cl)ccc1-c1c(Cc2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2oc1=O,CHEMBL3427398
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1,CHEMBL360231
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCN(C)CC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL601251
+Cc1c(Cl)ccc2c1NC(C(=O)O)C1CC=CC21,CHEMBL1457220
+Cc1cnc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1017766
+Cc1cc(O)cc2cc(-c3ccc(OCCN4CCCCC4)cc3)c3cc(C(=O)C(C)C)ccc3c12,CHEMBL33889
+CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@@]34C=CC(=O)O4)[C@H]12,bindingdb_430611
+C[C@@H](O)Cn1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nn1,bindingdb_650141
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1OCC1COC1,bindingdb_652414
+COc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1,bindingdb_69212
+Cc1cc(OCCCN2C(=O)N(c3ccc(C#N)c(Cl)c3)C(=O)C2(C)C)ccc1-c1cc[n+]([O-])cc1,bindingdb_511794
+Fc1cc(F)cc(C2c3nnnn3CCN2Cc2cccs2)c1,bindingdb_652918
+CCCCCCCCCCCC/C=C(\CCCC(=O)O)[N+](=O)[O-],CHEMBL561776
+CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1,bindingdb_27776
+CNC(=O)c1ccc(F)c(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc(Cl)c3)cc2)c1,CHEMBL3793822
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CN2CC(O)C2)c(C(F)(F)F)n1,bindingdb_1131081
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C(F)(F)F)c2=O)nc1,bindingdb_648999
+O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)OCCCO,CHEMBL4098232
+C[C@](O)(CSc1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_116828
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3CCC3)c2=O)nc1,bindingdb_649262
+CCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778830
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(C#N)cc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL397212
+Cc1cc(O)cc2c1-c1ccc(O)c(C)c1OC2CC(C)C,CHEMBL204024
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1079503
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4NCC23)CC1,bindingdb_646974
+Cc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O,CHEMBL1080026
+O=c1c2ccccc2nc2n1CCCCN2,bindingdb_17481
+CCCO/N=C(\C)C(Cc1ccc(OCCc2nc(C(C)C)oc2C)cc1)C(=O)O,CHEMBL230623
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCCOC4)cnc23)c(F)c1,bindingdb_654855
+CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccc(Br)c1,CHEMBL1573867
+COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC,CHEMBL1530431
+O=S1(=O)[C@H](c2ccccc2)CCCCN1Cc1cc(F)c(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_648791
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C4COC4)ccc23)c(F)c1,bindingdb_654935
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H]3C[C@H]4CC[C@@H]3C4)c2=O)nc1,bindingdb_651771
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3CCCC3)c2=O)nc1,bindingdb_649528
+CC(C)N(Cc1ccc(CCC(=O)O)cc1)C(=O)c1cccc(CNC(=O)c2ccccc2)c1,CHEMBL2403499
+CCO[C@@H](Cc1ccc(OCc2ccc(S(C)(=O)=O)cc2)cc1)C(=O)NOC,bindingdb_88912
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccccn2)cc1,CHEMBL245674
+CCS(=O)(=O)Nc1ncc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_653363
+O=C(O)c1ccc(-c2nn(Cc3c(F)cccc3Br)c3cccnc23)c(F)c1,bindingdb_649024
+COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1,bindingdb_982682
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2ccncc2)C1=O,CHEMBL2407866
+CCOC(=O)Cn1/c(=N/C(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21,bindingdb_1026150
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncco1,bindingdb_652847
+CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1,DB11811
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1,bindingdb_206533
+Oc1nc2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3,CHEMBL1393628
+O=C(O)CCN1CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12,CHEMBL3775464
+Oc1ccc2c(-c3ccccc3O)noc2c1,CHEMBL188619
+Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)c(=N)n(CCc4ccccc4)c3nc12,bindingdb_112274
+CC(=O)N[C@H](C1CC1)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647512
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(/N=N/c5ccccc5)cc4)ccc1c23,CHEMBL3234247
+CC1(C)CN(Cc2ccccn2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830947
+COc1ccc(-c2nc3n(n2)C(c2cccnc2)C(C(N)=O)=C(C)N3)cc1,CHEMBL1365434
+NC(=O)c1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1,bindingdb_646791
+CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O,CHEMBL385514
+CCCCNc1ccc2c(c1)C1CC2CCN1C(=O)OCc1ccccc1,bindingdb_55668
+O=C(N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)C1(F)CCS(=O)(=O)CC1,CHEMBL3895611
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)cc1,CHEMBL4226601
+O=C(CSc1ccc(Cl)cc1)c1ccco1,CHEMBL1365170
+CCc1nc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)(F)F)s1,bindingdb_650673
+Oc1ccc2c(c1)SCC(c1ccc(OC(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401276
+CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706893
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL1651239
+O=C(O)c1ccc(-n2nc(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1,CHEMBL3957141
+CN(C)[C@H]1CCN(C(=O)N(CC23CCC(c4nc(C5CC5)no4)(CC2)CC3)c2cccc(-c3nc(C4CC4)no3)c2)C1,bindingdb_1018668
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_401091
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407668
+CCCCn1c2c(c(=O)n(C)c1=O)C(c1ccc(OC)cc1)N1CCCCCC1=N2,bindingdb_760611
+CS(=O)(=O)NC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017632
+Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C,bindingdb_999674
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401021
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(/C=C/C(=O)O)cc2)N1CCO,CHEMBL3622998
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(C(=O)O)cnn2-c2ccccc2)cc1,CHEMBL473953
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1,CHEMBL3598149
+CCS(=O)(=O)c1cccc(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)c1,CHEMBL521536
+CN(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(O)c3)cc2)cc1,CHEMBL4167057
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2CCCN2CCCCC2)cc1,CHEMBL122208
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H](C(C)(C)CC)CC[C@@H]23)C[C@@H](O)/C(=C\CCO)[C@@H]1O,CHEMBL1830166
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cc(Cl)c2c(CC(=O)O)csc2c1,CHEMBL234169
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc5c(c4)CCC5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263767
+CC(C)(O)[C@H](F)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_653720
+COc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1,CHEMBL3290284
+CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1,CHEMBL1519669
+CN1c2ccsc2C(NNc2ccc(F)cc2)=CS1(=O)=O,bindingdb_672617
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(-c2ncccn2)cc1,bindingdb_651529
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC)cc(OC)c2)cc1)C(=O)O,CHEMBL397331
+CC(C)NC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054299
+O=C(NC12CC(C(=O)O)(C1)C2)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651921
+CCN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653725
+O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)sc2c1,CHEMBL4076625
+Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)c(F)c1,CHEMBL187915
+N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCC1CCCO1,bindingdb_672463
+CC(C)CN(Cc1ccc(NC2CCN(C(=O)N(C)C)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_651229
+Oc1ccc2c3c(cnc2c1)-c1cccc(C(F)(F)F)c1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050094
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(C)s2)n1)C(=O)O,CHEMBL3094425
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL428191
+CCOCC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL231528
+COc1cc(C(CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CHEMBL1163643
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC3(O)CCOCC3)nc2CC2CCCCC2)cc1C(C)(C)O,bindingdb_650711
+O=C(c1ccco1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3736390
+Cc1cc(O)ccc1-c1c[se]cc1-c1ccc(OCCN2CCCC2)cc1C,CHEMBL4286596
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)COC1,bindingdb_647598
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(CC5CC5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4211798
+C[S+]([O-])c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4084686
+CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL603956
+C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,CHEMBL512164
+CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651635
+COc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1,bindingdb_417502
+O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1,bindingdb_539805
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1c(F)cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)c1C(C)C,bindingdb_206286
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL3342086
+CC(C)C(NC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCc1ccccc1)C(C)C,bindingdb_69244
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270776
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccccc3)cc21,CHEMBL201280
+O=C1c2ccccc2C2(CCCCC2)C(=O)N1c1ccc(Cl)cc1,CHEMBL449366
+CCC(O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1209299
+N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@H]1C[C@@H]2COCCN2C1,CHEMBL4086416
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)nc1,bindingdb_1131015
+Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643200
+COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3F)c3nc(C)ccc23)cc1,CHEMBL509236
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1,CHEMBL559547
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(-c3cccnc3)ncc2[nH]1)C(F)(F)F,CHEMBL3126936
+O=C1CCC(=O)N1CCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1083194
+Cc1cc(CC(=O)O)ccc1-c1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccc(F)cc2F)s1,CHEMBL3360962
+CC(O)(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)C(F)(F)F,bindingdb_653909
+COc1cc(OC)cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1,CHEMBL3695870
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1c(F)cccc1-3,CHEMBL91927
+O=C(NC[C@H]1CC[C@H](Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1,bindingdb_475980
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_653675
+O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl,CHEMBL2338474
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cnccn4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL411086
+Cc1cc(-c2cccc3cc[nH]c23)c(C#N)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682429
+Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCCCC[C@@H]32)cc1,bindingdb_1157682
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,CHEMBL3314016
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1,bindingdb_123873
+O=S(=O)(Oc1cccc(/C=C/c2cc(O)cc(O)c2)c1)C1CC2OC1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,CHEMBL4215467
+CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL1961795
+COc1ccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)cc1,CHEMBL4072395
+O=C(NS(=O)(=O)C1CC1)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018252
+Fc1cccc(CN2CCn3nnnc3C2c2cccc(Br)c2)c1F,bindingdb_652944
+Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3943861
+CCC(Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL3764076
+C=C1C[C@@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C(=C)[C@H](O)C4)CCC[C@]23C)OC1=O,CHEMBL261197
+CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O,bindingdb_672417
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(S(N)(=O)=O)c4)ccc1c23,CHEMBL3234285
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@H](CO)c1ccccc1,CHEMBL214832
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1ncnc2ccccc12,CHEMBL1940693
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182857
+CC(C)c1ccc(-n2cc(C(=O)c3ccccc3N)nn2)cc1,CHEMBL2381477
+O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL384441
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL567835
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(OC(F)F)cc3)[C@H](c3ccccc3)C2)c1,bindingdb_1000181
+CC(=N)C(C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N,bindingdb_17600
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@@H]2CNC[C@@H]2F)C3)CC1,bindingdb_646054
+CCCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL604907
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3cccc(C4CC4)n3)cc12,CHEMBL3699415
+CN(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348909
+O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F,CHEMBL2440233
+C[C@@]1(O)CCC[C@H]1NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_649106
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(N5CCCCC5)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017916
+Cc1nn(-c2ccc(C(F)(F)F)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417711
+CC(=N)/C(C#N)=C(/O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1,CHEMBL3208784
+O=C(O)c1cc(F)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2c1,bindingdb_1017958
+O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1,CHEMBL575687
+COc1ccc(C(=O)c2c(C)n(Cc3ccc(F)c(O[C@@H](C)C(=O)O)c3)c3ncccc23)cc1,CHEMBL507477
+O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1,CHEMBL382792
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cnc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_402951
+CCCCCS(=O)(=O)NC(=O)Cc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933075
+N#Cc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12,bindingdb_475970
+CC(C)[C@@H]1CN(c2ccc(C(N)=O)c(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_999639
+C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]2(C)O,DB06871
+CC(C)(O)c1oc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@@H]2C(C)(C)O)nc1C(F)(F)F,bindingdb_1130980
+CCCC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL486707
+CCOc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1,bindingdb_1054277
+O=C(Nc1nccs1)C1(CCO)CC2c3ccccc3C1c1ccccc12,CHEMBL474771
+Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1,bindingdb_539996
+CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1,bindingdb_558656
+O=C(O)Cc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018670
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCN3CCCC3)ccc12,CHEMBL241485
+Cc1ccn2c(NCCCCc3ccccc3)c(-c3cccs3)nc2c1,CHEMBL4062465
+O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1346172
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4163069
+COc1ccccc1C(=O)NC(=S)Nc1cccnc1Cl,bindingdb_1000304
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCC4(CC3)COC4)c(S(C)(=N)=O)c2)cc1,bindingdb_652904
+CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cccc(S(C)(=O)=O)c1,CHEMBL3126947
+CC[C@@H](NC(C)=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645248
+CC[C@@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_1127573
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCc1cn[nH]c1)O2,bindingdb_645348
+COC(=O)N1CC(CCNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_123968
+Nc1ccccc1C(=O)c1cn(-c2ccccc2)nn1,CHEMBL2381357
+O=C([C@H]1CC[C@H](O)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3933949
+CCCCn1cnc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18617
+CCOc1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_651235
+COc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)cc1,bindingdb_55562
+CCc1oc(-c2ccc(C)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1,CHEMBL273035
+CCC(CC)c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1,CHEMBL3402139
+O=C(N[C@@H]1CCC[C@H]1O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649964
+Clc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1,bindingdb_672387
+CC(O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C(F)(F)F,bindingdb_124675
+CC(=O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1,CHEMBL4227881
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(Cc2ccc(OC(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206337
+N#Cc1ccc(C(O)(c2nccs2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3819324
+CN(CCC#N)c1ccc(/C=C(\C#N)c2ccccn2)cc1,bindingdb_69088
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126852
+COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O,CHEMBL85826
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2348877
+CC(C)NC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2cn[nH]c21,bindingdb_1019102
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183563
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC(C)(C)OC)c2ccccc12)C(F)(F)F,bindingdb_649156
+CCC1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1,CHEMBL112973
+COc1cc(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12,CHEMBL4294239
+Cc1c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(=O)n(-c2ccccc2)n1C,CHEMBL1313195
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_271211
+O=C(O)C(Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1,CHEMBL572566
+NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2,bindingdb_999858
+CS(=O)(=O)c1cc(N2CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)C(c3ccccc3)C2)ccc1CO,bindingdb_1000175
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1183328
+CC(C)CC(c1nnnn1C)N(CC(C)C)c1ccc(C#N)c(Cl)c1,CHEMBL541973
+CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL497203
+O=C(Nc1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1)c1ccccc1Cl,CHEMBL215363
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3Cc3ccncc3)c2Cl)cc1,bindingdb_168583
+COCCN1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1,bindingdb_651573
+CN1CC2N(C(=O)C34CCC(C(=O)O)(CC3)CC4)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_648235
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCCO4)ccc12,bindingdb_1005041
+O=C([C@@H](O)C(F)(F)F)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650523
+CN1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1,CHEMBL3590544
+O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccccc1,CHEMBL1083783
+Cc1c(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2=O)ccc(C#N)c1C(F)(F)F,bindingdb_511764
+Cc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1,bindingdb_401769
+C[C@@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1,CHEMBL112790
+Cc1nn(Cc2ccccn2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337735
+COCCn1c(C)cc(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1C,bindingdb_1004896
+CC(=O)N[C@@H](C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645812
+S=c1[nH]c(SCc2ccccc2)nc2ccccc12,bindingdb_87314
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3COC3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_646432
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccc(F)cc1,CHEMBL3358934
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccc(CSc6ccc(O)cc6)cc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4217175
+Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1F,CHEMBL410704
+CCCCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054318
+CCCc1c(OCCCCN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12,CHEMBL3403712
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](C(=O)O)O2,bindingdb_645373
+CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CHEMBL76
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C#N,CHEMBL231014
+O=C(CSc1n[nH]c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1)Nc1nccs1,CHEMBL1532234
+O=C(O)C1CC2(C1)CC(C(=O)N1CC[C@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@H]13)C2,bindingdb_648401
+Fc1cc(-c2nn[nH]n2)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018917
+Cc1cccc(Oc2cc(Cl)nc(SCC(=O)O)n2)c1C,CHEMBL42489
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1183345
+Cn1cc(C(=O)O)c2ccc(OCC34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)cc21,bindingdb_1017987
+COCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1C,bindingdb_69010
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(C)c1)O2,CHEMBL294800
+O=c1cc(-c2ccc(Cl)cc2)oc2cccc(O)c12,CHEMBL274471
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(C)(=O)=O)O2,bindingdb_648949
+Cc1ccc(N2CCN(C(=O)CCCNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)cc1,CHEMBL2348915
+O=C(Nc1nnc(SCc2ccccc2F)s1)C1=COCCO1,bindingdb_55610
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(-c5nc(C)cs5)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017905
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)c(C)nc21,CHEMBL1533181
+O=C(O)CS(=O)(=O)c1ccc(OCCCOc2cccc(Cl)c2)cc1,CHEMBL4291763
+CN(C)C1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)CC1(F)F,bindingdb_647441
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2-c2ccccc2)cc1,CHEMBL2312718
+Cc1ccc(NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c(C(=O)c2ccccc2)c1,CHEMBL359333
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018452
+COc1ccc(-c2nc(COc3ccc(CC(=O)O)cc3Cl)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1082090
+N#Cc1cc(CCC(=O)O)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018791
+CC1(C)[C@H]2CC[C@]1(c1cccc(S(C)(=O)=O)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654352
+CC(C)[C@H]1c2ncc(C(=O)NCCC3C(=O)Nc4ccc(Cl)cc43)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123906
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1F,bindingdb_1054238
+Cc1c(N2C3CCC2CC(C)(O)C3)ccc(C#N)c1Cl,CHEMBL3410856
+CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4087413
+COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12,CHEMBL1381306
+Cc1ccc(C(=O)NC(=S)c2c(C)cc3ccccn23)cc1,bindingdb_672593
+CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,CHEMBL3695612
+CCCNC(=O)c1c(F)cccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147560
+Cc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]23)cc1,CHEMBL3617360
+Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL484727
+Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)Cc2ccccc2)cc1,CHEMBL4225186
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccsc1)O2,CHEMBL65498
+CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,DB00503
+CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCOCC3)o2)cc1,bindingdb_112247
+CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(C(C)(C)C)cc3Cl)ccc2O1,CHEMBL190968
+O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1,CHEMBL464686
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N4CCC[C@@H]4CO)cc3)C[C@@]21C,bindingdb_168552
+O=C(COC(=O)CCN1C(=O)C2CC=CCC2C1=O)NCCc1ccc(F)cc1,bindingdb_292566
+O=C(Nc1ccccc1)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059573
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,DB14669
+NC(=O)C(CO)N1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1,bindingdb_988839
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2,CHEMBL3736358
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCCCC2)c(OC(F)(F)F)c1)C(F)(F)F,bindingdb_647277
+Oc1ccc(-c2noc3ccc(O)cc23)cc1,CHEMBL187069
+CCCCCCc1ccc(Nc2ccccc2C(=O)O)cc1,bindingdb_476055
+CC1(C)CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL182887
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654913
+O=C(C1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)c3ccccn3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_653334
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270928
+COC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N4CCCC4)cc3)C[C@@]21C,bindingdb_168516
+CC(C)NC(=O)n1c(-c2ccccn2)cc2c1CN(S(=O)(=O)c1cccs1)CC2,bindingdb_846262
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5cncn5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263862
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)cc1,CHEMBL1163480
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)[C@@H]1C[C@@H]1F)O2)C(F)(F)F,bindingdb_645807
+O=C(O)c1cccc(NC(=O)C23CCC(C=Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)C3)c1,bindingdb_1018867
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F,CHEMBL3126940
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(CCF)Cc3ccc(C(F)F)cc3)c2F)[C@H](O)C1,bindingdb_100336
+C[C@@H](C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1)C1CCCC1,bindingdb_648739
+Cn1c(C#N)ccc1-c1cc(F)c(O)cc1F,CHEMBL4091403
+CC(O)(c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)cc1)C(F)(F)F,bindingdb_1143382
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CF,bindingdb_403627
+Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(F)c(CN(CC(=O)O)C(=O)OCCCF)c1,CHEMBL3827740
+CC(C)CCc1cc(NCC(C)C)nc(N(C)CC(C)C)n1,CHEMBL451143
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651891
+COc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)ccc1OCCN1CCCCCC1,CHEMBL3657175
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1,CHEMBL1800979
+CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645929
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1coc(C(C)(C)O)n1,bindingdb_651097
+CC(=O)Nc1cccc(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)c1,bindingdb_651116
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C,bindingdb_646576
+CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB06789
+COCCCS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022748
+COc1ccc(C=Nn2nnc3ccccc32)cc1,bindingdb_584420
+Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cccc(C(N)=O)c4)cc3)cccc21,CHEMBL3794408
+Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2Cc2ccccc2)cc1,bindingdb_650328
+C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](Sc4ccc(/C=C/C(=O)O)cc4)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL1628170
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(C(C)=O)ccc12,CHEMBL492519
+O=C1C[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1,CHEMBL3360841
+Cc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL425639
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCCCNC(=O)CCC6=[N+]7C(=Cc8c(C)cc(C)n8[B-]7(F)F)C=C6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4078702
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2CC2CCCCC2)cc1C(F)(F)F,bindingdb_1183830
+CC(=O)N1CCN(C(=O)N2CC[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1,bindingdb_646549
+O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)c1,CHEMBL3335627
+CC(C)N(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(S(C)(=O)=O)cc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168536
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(C(F)(F)F)cc2)s1,CHEMBL2059555
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1c(F)cccc1F,CHEMBL3617295
+CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(=O)O)cc1,CHEMBL492563
+Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_402242
+CC(F)(F)c1ccc(CN(c2ncnc(NC[C@@H]3CCN(CC(N)=O)C[C@@H]3O)c2F)C2CC2)cn1,bindingdb_988759
+CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cc5)c4)(CC2)CC3)n1,bindingdb_1017864
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@H](c2ccccc2)O1,CHEMBL365821
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(Cl)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654420
+CC1(C)OC(S)=Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL24965
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ncccn2)cc1,CHEMBL2377530
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)Cc1ccccc1F,bindingdb_652843
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CN(C)C)c(C(F)(F)F)n1,bindingdb_1131034
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCN(C(C)=O)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55024
+O=C(Nc1nc2cc3c(cc2s1)OCO3)C1=COCCO1,bindingdb_584076
+O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1,bindingdb_55590
+CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1(C)C,bindingdb_651366
+CC(=O)Nc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)CC2)cc1,CHEMBL231500
+O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\O,CHEMBL409450
+CC(/C=C/[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,CHEMBL75814
+COc1nc2ccc([C@@](O)(c3cc(C)nc(C)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_1184306
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ncc(Br)o4)ccc23)c(F)c1,bindingdb_655011
+NC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL365903
+COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1,CHEMBL1389629
+COc1ccc(NC2=NC(=O)SC2=Cc2ccc(N(C)C)cc2)cc1,bindingdb_402698
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CC(CF)C2)nc1,bindingdb_961255
+CCOc1c(Cl)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_646442
+CCCc1nc2cc(C(=O)NC(CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3115236
+Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1,CHEMBL4115983
+COCCN(C)C(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_648395
+CC(C)(CNS(=O)(=O)C1CC1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426117
+N#Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1,bindingdb_598496
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1C[C@@H]1CC[C@H](C(F)(F)F)OC1,bindingdb_1130735
+O=C(O)c1cc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(N2CCC(O)CC2)n1,bindingdb_1018934
+CO/N=C1/c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)C1O,CHEMBL1762211
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652796
+COc1ccc(C(=O)NCCS(=O)(=O)NCCc2ccccc2)cc1,bindingdb_55646
+COc1cccc2c(=O)c3cccc(N)c3[nH]c12,bindingdb_91269
+CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2cccnc2)c1,CHEMBL2426648
+C1=C(c2ccccc2)C2(Cc3ccccc3C2)c2ccccc21,CHEMBL345000
+CCCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(CC(C)(Oc5ccccc5)C(=O)O)cc4)nc(N)n3)CC2)cc1,CHEMBL538945
+N#Cc1ccc([C@@H]2CCc3cc(O)ccc3[C@@H]2c2ccc(OCCN3CC(CF)C3)cc2)cc1,bindingdb_961121
+Cc1cccc(NC2=NC(=O)C(=C3C(=O)N(C)c4ccccc43)S2)c1C,bindingdb_401482
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(C[C@@H](O)C(F)(F)F)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650406
+C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)NCCNC(=O)c1cc(NC(=O)c2nccn2C)cn1C,CHEMBL554774
+COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCCC4)cc3N(C)C2=O)cc1OC,bindingdb_55717
+Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,CHEMBL234462
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)nc2c(C(F)(F)F)cc(C#N)cc21,bindingdb_648035
+COc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1,CHEMBL1561191
+Cc1cc(O)ccc1-c1noc2cc(O)ccc12,CHEMBL189822
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C[C@@H]1CO,bindingdb_646303
+CCN(CC)C(=O)[C@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652534
+Cc1cc2c(=O)oc3c(C)c(O)ccc3c2c(C)c1Br,CHEMBL206218
+Cc1nc(-c2ccccc2)sc1COc1ccc2c(c1)OCC2CC(=O)O,CHEMBL3780725
+CC(C)(C)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1,CHEMBL2381358
+Cc1ncn(-c2csc(N3CCOCC3)n2)c1C,CHEMBL3323502
+COc1ccc(Cl)cc1C(=O)Nc1ccc(N(C)C(C)=O)cc1,bindingdb_91285
+O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1,bindingdb_55657
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cc1,CHEMBL3798928
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1csc2ccccc12,CHEMBL363179
+CC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccco1,bindingdb_34093
+CC(C)[C@H]1c2ncc(C(=O)NC(Cc3cc(=O)[nH]c4ccccc34)C(=O)O)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123895
+CC(C)(C#N)C(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1,bindingdb_648520
+C[C@](O)(COc1ccc(N=C=S)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074236
+C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,DB01196
+CCn1nc(C(=O)NC[C@H]2CC[C@H](NS(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183532
+O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(Cl)cc2)sc2cc(O)ccc12,CHEMBL1193539
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccnc(F)c4)cc3)C2=S)ccc(C#N)c1Cl,bindingdb_511797
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCCN3CCCC3)cc2)cc1,CHEMBL361751
+CCO[C@@H](Cc1ccc(OC/C=C/C#Cc2ccccc2)cc1)C(=O)O,CHEMBL446893
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)ccc1O,CHEMBL236289
+COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649576
+CCOCc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(OC)c2)ccc1-c1ccccc1C(F)(F)F,CHEMBL4079872
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1C1CCCCC1,bindingdb_653067
+COc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnc2c1cnn2C1CCSCC1,bindingdb_18634
+Oc1ccc2c(c1)SCC(c1ccc(Cl)nc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401822
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CC2C)cc1Cl,CHEMBL552517
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](c1ccccc1)N3CC(F)(F)F,CHEMBL402835
+CCCc1c(OCCCn2ncc3cc(CC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12,CHEMBL210917
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(N4CCOCC4)nc3)nc2Oc2c(F)cccc21,bindingdb_1054255
+CC(C)(C(=O)O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652382
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1,CHEMBL3763887
+Oc1ccc2c(c1)SCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403499
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CCC1NC(=O)NC1=O,bindingdb_652098
+Cc1cc(-n2nc3ccccc3n2)cc(C)c1OC(C)(C)C(=O)O,CHEMBL3735011
+CC(C)NCC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,bindingdb_650705
+CCCCn1c2c(c(=N)c3c1CCC3)CCC2,bindingdb_539987
+CC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H](CC/C(C)=C/CO)[C@@]12CO2,CHEMBL3314493
+Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(S(=O)(=O)N2CCCCC2)c1,CHEMBL333650
+Cc1ccc(N=Cc2c(O)n(-c3ccc4c(c3)OCO4)c(=O)c3ccccc23)cc1,bindingdb_404070
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1,CHEMBL257180
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651637
+CC1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@H]12,CHEMBL270105
+O=C(O)c1ccc2cc(C(O)C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)ccc2c1,bindingdb_1017407
+CS(=O)(=O)Nc1cc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)ccc1C(=O)O,bindingdb_654800
+CC[C@@]1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652896
+Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2oc1=O,CHEMBL3427402
+CC1=CC(C)(C)Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL115904
+CCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21,CHEMBL222453
+COc1ccccc1-c1nc(-c2ccncc2)no1,bindingdb_982744
+COc1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)NS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647763
+Cc1ccc2ccc(C3C(=O)c4ccccc4C3=O)nc2c1,bindingdb_1000113
+O=C(OCC(=O)N1CCCC1)c1cncc(Br)c1,CHEMBL1319983
+CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1,CHEMBL494493
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4F)oc3C)ccc21,CHEMBL199432
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCC2,bindingdb_649903
+O=C1N(CCCN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc2C12OCCO2,bindingdb_108524
+CN(C)CCOc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(O)cc2)cc1,2ewp
+Oc1ccc([C@H]2Oc3ccccc3[C@H]3CCC[C@H]32)cc1,CHEMBL234637
+CCCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1183616
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC3CCCCC3C(F)(F)F)ccc2O1,bindingdb_646309
+CCCCC(Sc1ccc(OCCCOc2ccc(C)cc2)cc1)C(=O)O,CHEMBL557342
+O=C(O)c1cccc(NC(=O)C23CCC(C=Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1Cl,bindingdb_1018952
+Oc1ccc2c(c1)SCCC(c1ccc(OC(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402314
+Cc1ccc(C)c2c(C)c(-c3nc(-c4ccc(C(=O)O)cc4)no3)oc12,bindingdb_965511
+Cn1c([C@H](CC2CCCCC2)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)nc2ccc(C(=O)O)cc21,CHEMBL4075735
+O=c1c2c(O)cc(O)cc2c(Br)cn1-c1ccc(O)c(F)c1,bindingdb_1069087
+CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12,CHEMBL1089350
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1Cl,CHEMBL572348
+COc1ccc2c(c1)c(Cc1ccccc1OC(C)C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL367360
+CC(C)Oc1c(Cl)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_646975
+COC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CC1,bindingdb_123987
+CCNC(=O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2,bindingdb_1019123
+Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(c2ccccc2)C3)cc1,CHEMBL404192
+O=C(O)Cc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018876
+CN(C)C(=O)C(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647833
+O=C(O)COc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1,CHEMBL207198
+CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,bindingdb_584373
+CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(C(F)(F)F)cc3n2C)c1Cl,bindingdb_647527
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H](C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645073
+N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1,CHEMBL4094179
+CCOc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL369289
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2ccnc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648336
+CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(C(F)(F)F)nc5)c4)(CC2)CC3)n1,bindingdb_1017666
+O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc2ccccc2c1,CHEMBL1465490
+Cc1cccc(F)c1C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C)c23)CC1,CHEMBL4291370
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(Cc3ccccc3)C(F)(F)F)ccc2O1,bindingdb_646740
+CCc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12,CHEMBL198680
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(Cl)c1,bindingdb_401278
+Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1,CHEMBL596047
+O=c1ccc2cc(-c3cccs3)ccc2o1,CHEMBL1835833
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc([C@H](O)CCO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653649
+CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,DB00636
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_650741
+CCO[C@H](Cc1cccc(C2=NOC(Cc3ccccc3)C2)c1)C(=O)O,CHEMBL484264
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC3CCCC3)cc2C(F)(F)F)s1,bindingdb_1182755
+O=C(N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccnnc1,bindingdb_653669
+Oc1ccc2c(c1)SCCC(c1ccc(F)nc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401206
+CN1CC2N(C(=O)[C@]3(F)CC[C@@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2cccc(F)c2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_645476
+Cc1cc(C)c(C(=O)COc2cccnc2[N+](=O)[O-])cc1C,CHEMBL1601624
+Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)s1,CHEMBL2426627
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(Cc2ccc(C(C)(C)O)cc2)c(C(F)(F)F)n1,bindingdb_1130724
+N#CC1CCN(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649831
+Cn1c(C#N)ccc1-c1ccc(O)c2c1CCC2,CHEMBL4061510
+O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12,CHEMBL583378
+CCN(C[C@H]1CC[C@@]2(CC1)CC2(F)F)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_650257
+COc1ccc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1OC,bindingdb_539791
+Cc1oc2ccccc2c1Cc1cc(I)c(OCC(=O)O)c(I)c1,CHEMBL157885
+CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB01130
+CC(C)C[C@](CCO)(C[C@H](O)CNC(=O)COCCOCCNC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)NCc1ccccc1,CHEMBL510868
+COc1ccc(OC)c(-n2c(O)c3o[nH]c(-c4ccccc4Cl)c-3c2=O)c1,bindingdb_404144
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ncccn5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263774
+CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O,bindingdb_953911
+O=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2C12CCCCC2,CHEMBL118861
+CC(=O)N1CCC(CO)(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_649061
+CCC(C(=O)O)C1CCc2cc(OCCc3c(-c4ccccc4)noc3C)ccc21,CHEMBL202137
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCC[C@H]1n1cnc(Cl)c1,bindingdb_647633
+Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1,bindingdb_112080
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263777
+CC(C)(C(N)=O)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988840
+COC(=O)C(Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C,bindingdb_123919
+C=C1[C@H](O)CC(=C/C=C\CC(C)(C)C[C@@H](C)CCCC(C)(C)O)C[C@H]1O,CHEMBL1929241
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1NCc2cc(S(=O)(=O)CC3(F)CC3)ccc21,bindingdb_652505
+Clc1cccc(OCCSc2nc3ccccc3[nH]2)c1,CHEMBL2316543
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc4ncccc4c3)C2=S)ccc(C#N)c1Cl,bindingdb_511730
+Cc1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)CC2O)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183234
+CC(C)(F)CC1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)cn1,bindingdb_1131052
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C[C@]45CCC(CC4=O)C5(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263749
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(Cl)n1,bindingdb_404087
+Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1,bindingdb_69112
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(CCNC(=O)OC(C)(C)C)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645829
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL66206
+CCOC(Cc1ccc(OCCN2CC=C(c3cccc(OC)c3)CC2)cc1)C(=O)O,CHEMBL489563
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(N)=O)Oc3ccc(N(C(=O)[O-])C(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649679
+COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3cc2c1,CHEMBL1312693
+C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,DB00957
+CCC[C@@]12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL215593
+CCN(CC)c1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1080143
+COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)C(=O)O,CHEMBL393340
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)CCCc2ccccc2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1270746
+Cc1nn(CCc2nnn[nH]2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12,bindingdb_87235
+C=CCc1cc(C)cc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL204222
+O=C(O)c1cc(C(F)(F)F)cc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)c1,bindingdb_1017493
+c1ccc(CN=C2Nc3ccccc3CS2)nc1,bindingdb_999800
+COc1cc(N[C@H](C)C(F)(F)F)ccc1-c1c(Cl)c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nn1CC(C)C,bindingdb_1184000
+Cc1nc2ccc(C(=O)O)cc2[nH]1,bindingdb_830892
+COC(=O)Sc1nnc(-c2ccc(Br)cc2)o1,CHEMBL1464821
+COc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1,bindingdb_292576
+CCc1cc(C(=O)c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114120
+CC(C)[C@H]1c2ncc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123940
+CCCCCCCN(CCc1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1.NC1CCCCC1,CHEMBL2206305
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)c3ccccc3)cc2Br)ccc1O,CHEMBL236290
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1182743
+CC(C)c1cc(Oc2c(Br)cc(C(=O)O)cc2Br)cc(C(C)C)c1O,CHEMBL193198
+N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1,CHEMBL1352121
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCC(S(C)(=O)=O)CC3)c1Cl)n2C,bindingdb_206693
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55012
+CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988755
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)OC[C@@]21C,CHEMBL564700
+O=C(O)c1ccccc1Nc1ccccc1-c1ccccc1,bindingdb_964704
+CC1=C2c3ccc(O)cc3CC2(CC(C)C)CCC1=O,CHEMBL381298
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(Cl)c1)c1ccc2c(c1)OCO2,CHEMBL1455509
+O=C(OC1CCC(C(F)(F)F)CC1)c1ccc2c(c1)nc(OC1CCC(C(F)(F)F)CC1)n2C1CC1,bindingdb_270849
+COc1ccccc1-c1ccc2c(c1)C(CSC1CCCC1)=CC(C)(C)N2,CHEMBL205978
+CC(=O)Nc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,CHEMBL1527023
+CCN1CC2N(C(=O)C34CCC(C(=O)O)(CC3)CC4)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_650656
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_653990
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCC[C@@H]1O,bindingdb_647769
+Cc1cc(CN2CCN(c3cccc(S(C)(=O)=O)c3)CC2c2ccccc2)cnc1C(F)(F)F,bindingdb_58957
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426661
+CC1(O)CCN(C(=O)[C@@H]2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650737
+COC(=O)/C=C/c1ccnc(N(Cc2ccc(-c3ccc(N(C)C)nc3)cc2)C(=O)[C@H]2CC[C@H](O)CC2)c1,bindingdb_1018316
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1=O,CHEMBL3234857
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCS(=O)(=O)CC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1182859
+CCCC[C@@]12CCC(=O)C(CC)=C1c1ccc3[nH]ncc3c1C2,CHEMBL211816
+CCCC[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1CCCC,CHEMBL196975
+CCn1nc(C(=O)NC[C@]2(CC)CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183462
+NC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4079530
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1)C(=O)O,CHEMBL210163
+Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1,CHEMBL237518
+Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3F)[se]2)c(F)c1,CHEMBL4283235
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(CC(C)C)c2=O)nc1,bindingdb_646633
+CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)n2)C1(C)C,CHEMBL1916241
+CCCCN(C)C(=O)CCCCCC/C=C\CCC(c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)O)cc1C,CHEMBL264527
+CCNC(=O)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1,bindingdb_40613
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(OCc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206349
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CCCc2ccccc2)CC(=O)O)c1,CHEMBL428748
+C=CCOc1ccc(CN=Nc2ccccn2)cc1OC,bindingdb_69123
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C3CCC3)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646121
+Fc1ccc(C2c3nnnn3CCN2Cc2ccncc2)cc1,bindingdb_647949
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ccc(C(C)(F)F)cn1,bindingdb_1143270
+Oc1ccc(-c2nn(CC(F)(F)F)c3cc(O)ccc23)c(O)c1,CHEMBL225404
+CC(C)CN(Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650162
+CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc43)n21,CHEMBL1341089
+CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC,bindingdb_1026134
+Cn1cc(-c2ccc(CN(c3ncnc(NC[C@@H]4CCN(CC(N)=O)C[C@H]4O)c3F)C3CC3)c(F)c2)cn1,bindingdb_988804
+O=C(O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1,bindingdb_650636
+CC(C)CN([C@H](C)c1ccc(N2CCC(O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650298
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1ccc(F)cc1)c1c(C(F)(F)F)cccc1C(F)(F)F,bindingdb_998108
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_647155
+CCn1c(O[C@H]2CC[C@H](C(F)(F)F)CC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206459
+O=C(O)c1cnn2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1017575
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3C[C@H]4CC[C@@H](C3)N4CC(F)(F)F)[C@@H](c3ccccc3)C2)c1,bindingdb_1130818
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C(N)=O)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)(F)F,bindingdb_1183477
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264926
+C=C1[C@@H](CC/C(C)=C/CO)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@H]1O,CHEMBL3314494
+Cc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CHEMBL3623101
+Oc1ccc(-c2nc3cc(Cl)c(O)cc3o2)cc1,CHEMBL442037
+COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183258
+CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)O)cc3c2Br)ccc1O,CHEMBL425939
+CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1,CHEMBL218182
+COc1ccc(COC(=O)NCC[C@@H](C)C2CC[C@H]3[C@@H]4[C@H](O)CC5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,CHEMBL3138093
+CCOc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018038
+Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)c1,CHEMBL3735124
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL4208262
+CC1(NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_645602
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCc2n[nH]c(=O)o2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184342
+O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Cl,CHEMBL513946
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183665
+COC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3c(F)c(O)c(F)cc23)cc1,bindingdb_401061
+O=C(O)CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1083188
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O,CHEMBL3590265
+O=C(NC(=S)Nc1ccccc1)c1ccc(Br)o1,bindingdb_1026181
+c1ccc(-c2csc(N3CCSCC3)n2)cc1,CHEMBL1549081
+Oc1ccc(/C(=N\c2ccc(Cl)cc2)c2ccc(O)cc2O)cc1,CHEMBL3234632
+[C-]#[N+]c1ccc(-c2nnc([C@@H](CCO)Nc3ccc([N+]#[C-])c(Cl)c3C)o2)cc1,CHEMBL3640895
+N#CCc1nnc(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)o1,bindingdb_645215
+O=C(Nc1ccc2[nH]c(-c3cnn(-c4ccc(F)cc4)c3)nc2c1)c1ccccc1Cl,CHEMBL384066
+CC(C)N(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988911
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_270966
+COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,DB05253
+Cc1cccc(C(=O)n2nc(-c3ccc(C(=O)O)cc3F)c3ccccc32)c1Br,bindingdb_654932
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C)c4)cc3)C(=O)CCCCO)nccc2c1,bindingdb_109227
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2c1CCCC2,bindingdb_645698
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961384
+CCOC(=O)Nc1ccc2c(c1)Nc1ccccc1S2,bindingdb_982762
+O=C(C1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)OC2)c1cccc(-c2nc(C3CC3)no2)c1,bindingdb_1018105
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCO5)oc3C)ccc21,CHEMBL197866
+CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270964
+Cc1cc(C[C@H](N)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,bindingdb_1175411
+c1ccc(CN2CCn3nnnc3C2c2ccccc2)cc1,bindingdb_653798
+CCCS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F,bindingdb_257871
+Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(C)(=O)=O)c2)ccc1Cl,CHEMBL606143
+O=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)F)cc2o1,CHEMBL3706904
+O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,bindingdb_87283
+C[C@@]12[C@@H]3C=C[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O,CHEMBL3898284
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1,CHEMBL195990
+CCC(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2,bindingdb_292641
+CCNS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649067
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_648613
+O=C(CO)N1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_649865
+CC(C)(C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648076
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1C[C@H](O)[C@H](O)C1CO,bindingdb_654944
+O=C1NC(=O)C2(CCN(C(=O)N3CC[C@](c4ccc(C(OCc5c(F)cccc5F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)C2)N1,bindingdb_645044
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COCC(=O)OC)c1ccccc1,CHEMBL385052
+CCn1c(C[C@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127356
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)c(F)c3)nc21,CHEMBL4161332
+CC(CO)(CO)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650786
+COc1ccc(C(=O)n2c(C)c(Cc3cccc(OC(C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL435517
+OC1c2[nH]c3ccc(Cl)c(Cl)c3c2C(C(F)(F)F)CC1F,CHEMBL3682514
+CCn1nnnc1C(C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL563716
+O=C(O)CCc1cc(Br)c(OCc2cccc(C(F)(F)F)c2)c(Br)c1,CHEMBL250101
+O=C(c1c(Cl)nc2sccn12)N(C(=O)c1c(Cl)nc2sccn12)c1ccc(Cl)cn1,bindingdb_999724
+CC(C)c1cc(S(=O)(=O)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,bindingdb_965612
+O=C(O)Cc1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1,CHEMBL254333
+CN(CCCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCCC1CCSS1,CHEMBL211237
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2ccccn2)C1=O,CHEMBL2407867
+Cc1c(O)ccc2c1OCCC(c1cccc3[nH]ccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402021
+CNC(=O)C1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,bindingdb_649641
+C[C@@]1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1,5t92
+CCn1nccc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C(F)(F)F)ccn2)C1,CHEMBL4079638
+CC(O)n1cc(-n2ncc3cc(O[C@H](c4ccccc4)[C@H](C)NC(=O)C(C)(F)F)ccc32)ccc1=O,CHEMBL4207537
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)c(F)c3F)C[C@@]21C,bindingdb_168589
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_650842
+Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccnc1,bindingdb_672602
+CCc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1,bindingdb_1183480
+Cc1nnc(-c2cccc(Br)c2)c2cn(-c3ccc(Br)cc3)nc12,bindingdb_953926
+Oc1ccc2c(c1)CCCC(c1ccc(F)cc1C(F)(F)F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402151
+O=C1C(=CNCc2ccco2)C(=O)c2ccccc21,bindingdb_1000361
+Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1,bindingdb_112084
+CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_654363
+Cc1ccc([C@](O)(c2ccc3nc(N4CCC4)c(CC(F)(F)F)c(Cl)c3c2)c2cnnn2C)c(C)n1,bindingdb_653956
+COC(=O)[C@](C)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1,bindingdb_107873
+Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C)c1C,bindingdb_69086
+Cc1oc2cc3c(C(=O)OCCN(C)C)c(C)oc3cc2c1C(=O)OCCN(C)C,bindingdb_584147
+CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)C1=O,CHEMBL131681
+Nc1nc(=O)n(C2CC(O)C(CO)O2)cc1Cl,bindingdb_672338
+Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,CHEMBL3264627
+Fc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)cc1F,CHEMBL287428
+COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C(C)C)n2)c1,CHEMBL3264647
+CC[C@]1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC[C@H](C(=O)O)CC1,bindingdb_647326
+Oc1ccc(-n2nc3ccc(O)cc3c2Cl)cc1,DB07708
+C/C(=C(/C)c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL269003
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(C)(=O)=O)O2,bindingdb_646850
+O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)nc1,bindingdb_652350
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1C[C@H](F)CF,bindingdb_403439
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(NC(=O)NC)cc1,bindingdb_655013
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1cccc(C#N)c1,CHEMBL3581686
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1cn[nH]c1)O2)C(F)(F)F,bindingdb_645588
+COc1ccc(C(=O)COC(=O)c2ccc(O)cc2)cc1,CHEMBL2071179
+OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,CHEMBL3622992
+CC(=O)N1CCC(C(=O)N2CC[C@@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651639
+Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)cc1,bindingdb_1004937
+COc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)cc1,CHEMBL1672540
+Cc1cc(C(F)(F)F)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C5COC5)CC4)c3Cl)nc12,bindingdb_206280
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCCC#N)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022129
+CC1(C)CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCO1,bindingdb_651125
+CC(C)COC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL203606
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2C[C@H]3C[C@@H]2C[C@H]3n2cnnc2)cc1F,bindingdb_648925
+Cc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12,CHEMBL185126
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c(Cl)c12,bindingdb_417278
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,DB03860
+O=C(NCc1cccs1)c1cccc2c(-c3ccc(F)c(F)c3)coc12,bindingdb_672457
+CC(=O)N1CCC(N)(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650283
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182872
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(C(=O)OCc5ccccc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4202674
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2N)cc1,CHEMBL4211016
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1(F)F)O2)C(F)(F)F,bindingdb_646959
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(O)(C(F)(F)F)CC2)[C@@H]3C(C)C)cc1,bindingdb_271153
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL395918
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@H](N2CCOCC2)CC1,bindingdb_647459
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1,CHEMBL201126
+CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1C,bindingdb_539979
+COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc1O,CHEMBL1210876
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nccs2)cc1,CHEMBL3105693
+N#Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657172
+C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL181936
+COc1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Cc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646806
+COc1nc2ccc([C@@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CC1,bindingdb_646295
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(Cc4ccc(-c5ncon5)cc4F)CC2)O[C@@H](C)C3)nc1,bindingdb_1127351
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(C(=O)OCc2ccccc2)[C@H]3C(C)C)cc1,bindingdb_1127555
+CCCc1c(OCCC(C)CCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12,CHEMBL197221
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(OC)cc4)n3N)ccc21,CHEMBL1596554
+Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(F)c1,CHEMBL115729
+C=C1c2ccccc2C(=O)N(C)c2ccc(O)cc21,CHEMBL2171902
+O=C(O)Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)cc1,bindingdb_672505
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3SCC2)c(F)c1,bindingdb_404083
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCCN4CCOCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018046
+Clc1ccc(OCCSc2ncccn2)c(Br)c1,bindingdb_999941
+CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc1C,bindingdb_206233
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OC/C=C/CN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O,CHEMBL3814017
+CC(=O)c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1,bindingdb_475886
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(-c3ccccc3)cnc2[nH]1)C(F)(F)F,CHEMBL3126933
+CC[C@]1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC[C@H](C(=O)O)CC1,bindingdb_645582
+CC(C)(O)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645133
+CCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL606139
+O=C(N1CCC[C@@H](CO)C1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645106
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC(NCc2ccc(Cl)cc2)C1,bindingdb_649315
+CC(C)O/N=C/c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3559035
+Cn1ccc2cccc(COc3cccc(-c4c(Cc5ccccc5)nnc5c(C(F)(F)F)cccc45)c3)c21,CHEMBL554508
+CCOC(=O)N1C[C@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](C(=O)O)C1,CHEMBL3398440
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccccc2)C1=O,CHEMBL3588881
+C=c1[nH]c(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c(O)c1C(=O)OCC,bindingdb_401955
+Cc1c(N2C[C@@H]3[C@H](O)CC[C@@H]3C2=O)ccc(C#N)c1Cl,CHEMBL389077
+O=C(NCc1ccncc1)[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646196
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cn1,bindingdb_511829
+CC[C@]12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2,CHEMBL379827
+O=C(N[C@H]1CC[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccnc1,bindingdb_649804
+Cc1cc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)ccc1CC(=O)O,bindingdb_651591
+CCCCN(C)c1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1173559
+CC(C)(O)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645352
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_648280
+O=C(C1CC(C(F)F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)F)co2)c1,bindingdb_1018605
+Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1,CHEMBL271776
+Fc1ccc(C(F)(F)F)c(COc2cccc(-c3c(Cc4ccccc4)nnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL550568
+CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O,CHEMBL1084644
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(NC3CC3)c2)c(C)c1,CHEMBL1668078
+C[C@](O)(CBr)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CHEMBL125809
+C[C@H](NC(=O)c1ccccc1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3899942
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263702
+CC(C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL219577
+Cc1nn(C2CCN(Cc3ccc(CN=[N+]=[N-])cc3)CC2)c2ncc(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)c(Cl)c12,bindingdb_417574
+O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)C1CCCCC1,bindingdb_112097
+Cc1cc(COc2cc(COc3ccc(C(F)(F)F)cc3)ccc2Sc2ccc(OCC(=O)O)c(C)c2C)no1,CHEMBL526371
+O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc(Cl)c1,CHEMBL1165451
+CCOc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018741
+C=Cc1cc(O)cc2nc(-c3c(F)cc(O)cc3F)oc12,CHEMBL188517
+CC(C)n1nc(NC(=O)N2CC3(COC3)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598190
+O=C(c1noc(=O)[nH]1)N1CCC2(S(=O)(=O)c3ccc(Cl)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_649052
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCc3ccccc3)c2)c(Br)c1,CHEMBL235609
+COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(/C)CCC=C(C)C,CHEMBL1729254
+C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1,CHEMBL4097160
+CC(=O)NCCS(=O)(=O)Cc1ncn(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651359
+Cc1ccc(N=C2Nc3ccccc3CS2)cc1,bindingdb_584052
+Cc1cc(C)c(CNC(C)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL243873
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ncn(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652309
+CCCOc1ccc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c1,CHEMBL2312129
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183569
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCN(C(=O)N2CCOCC2)C3)c(F)c1,bindingdb_649681
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(F)CCOCC1)O2)C(F)(F)F,bindingdb_649537
+Cc1ccc(Oc2cc3c(cn2)nc(COc2cccc(C(=O)O)c2)n3C)cc1,CHEMBL4177154
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNS(C)(=O)=O)O2,bindingdb_652702
+C=CCN1C(=O)NC(=O)/C(=C(/CC)NCc2cccnc2)C1=O,CHEMBL1384452
+CCOc1ccc(-c2cccc(N(CC34CCC(c5noc(C6(C)CC6)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1017853
+CN(c1ccc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)S(C)(=O)=O,bindingdb_654250
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1S(C)(=O)=O,CHEMBL516033
+CC(C)[C@H]1c2ncc(C(=O)NCc3cccnn3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123934
+O=C1C=C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2(Cc2ccccc2)CC1,CHEMBL247417
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n([C@H]3CCOC3)c2=O)nc1,bindingdb_652499
+CCCOc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1,CHEMBL2030074
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1,CHEMBL1331671
+CCS(=O)(=O)[C@H](C)c1nnc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)[nH]1,bindingdb_653061
+NC(=O)Nc1cc(CCc2ccc(C(F)(F)F)cc2)ccn1,CHEMBL3643689
+CC(C)CN(Cc1ccc(N2CCC(C(=O)N(C)C)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317832
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1,CHEMBL1437982
+O=C(NCCCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1,CHEMBL1545080
+Cc1cc(C)c2nc(SCC(=O)NCCC3=CCCCC3)cc(C)c2c1,CHEMBL1468336
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(C(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126855
+COc1nc2ccc([C@](O)(c3cnc(C)n3C)C3CCOCC3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653892
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3(C)COC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54976
+Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)O)c1,CHEMBL234801
+C=C(C)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,CHEMBL382698
+COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)sc2c1,bindingdb_1004969
+CC(C)[C@@]1(C(=O)O)Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL363006
+Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)c(Cl)c1,CHEMBL191710
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cn3)cc12,CHEMBL3699404
+CCn1c(CC2CCC(C(F)(F)F)CC2)nc2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127517
+CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1,CHEMBL4089408
+CCN(CC)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1,bindingdb_982692
+Cn1cccc1C(=O)OCC(=O)Nc1sccc1C#N,bindingdb_999934
+O=C(O)[C@H](CCc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL2375946
+COc1ccc(C(O)(c2ccc3nc(Cl)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1,bindingdb_1183874
+CC(=O)N1CCC(C(O)(c2ccc3nc(C(F)(F)F)c(C(=O)N4CCCCC4)c(C(F)(F)F)c3c2)c2cncn2C)CC1,bindingdb_54877
+C[C@@H]1CN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC[C@H]1C(=O)O,bindingdb_646796
+CC1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(C2CCC2)cc1,CHEMBL4072611
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc3cnccc3c2)C1=O,CHEMBL2407863
+CCc1ccc(S(=O)(=O)C23CCN(C(=O)[C@]4(F)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_651595
+CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,bindingdb_963234
+CCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3805921
+Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O,CHEMBL4247929
+CC(=O)c1ccc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)cn1,CHEMBL381358
+O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1ccc2c(c1)OCCO2,bindingdb_1698
+Cc1nc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)sc1C(=O)O,bindingdb_1017902
+O=C(O)C1CCc2cc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc21,bindingdb_1018424
+Cc1cc(-c2noc(-c3nc4c(C)ccc(C)c4o3)n2)ccc1C(=O)O,bindingdb_965494
+CP(=O)(Nc1ccccn1)Oc1ccc(Cl)cc1,CHEMBL1374216
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CC1,bindingdb_645457
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1F,CHEMBL4173064
+O=C(O)c1ccccc1Nc1ccc(Cc2ccccc2)cc1,bindingdb_476048
+Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401823
+C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1O,CHEMBL1682441
+CC(F)(F)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)no1,bindingdb_1018247
+CCCc1cc(-c2nc3c(s2)CCCO3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,bindingdb_988750
+COC(=O)c1ccc(CSc2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)o1,CHEMBL1573401
+CC[C@]12CC[C@H]3[C@@H]([C@H](C4CC4)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,CHEMBL3692356
+Cn1c(=O)[nH]c([C@H]2CC[C@@H](c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL2204060
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2cnc(-c3c(C)nc(N)nc3C3CC3)nc21,bindingdb_654608
+CN(C)c1ccc(S(=O)(=O)C23CCN(C(=O)C45CCC(C(=O)O)(CC4)CC5)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_646305
+CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(CNC(=O)c3ccccc3)CCC[C@]21C,CHEMBL4174074
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NCC(C)(C)O)c3ccccc23)CC1,bindingdb_649905
+COc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnc2c1c(C)nn2C1CCOCC1,bindingdb_18668
+C=CCC(C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1,CHEMBL403958
+COc1cccc(-c2cc(Oc3c(Cl)cc(CC(=O)O)cc3Cl)ccc2O)c1,CHEMBL394644
+CC(C(=O)O)c1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)nc1,bindingdb_649737
+CN(C)CCNC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL438386
+COc1cccc(C(=O)Nc2cc(C)c(Oc3ccc(O)cc3)c(C)c2)c1,CHEMBL2441092
+CCCOC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL116221
+Cc1cc(C(F)(F)F)nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_1131020
+COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1,CHEMBL3695884
+CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(-c2ccccc2)ccc1O,CHEMBL1254265
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCCCC2)c2cnccc12)C(F)(F)F,bindingdb_645520
+C=CCNc1nc(-c2cccc(OC)c2O)nc2ccccc12,CHEMBL1455614
+COc1cc(C(=O)Nc2nnc(-c3sccc3C)s2)cc(OC)c1OC,CHEMBL1528250
+Cc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)nc12,bindingdb_1017856
+Cc1ccccc1C(=O)NCc1ccc(N2C(=S)N(c3ccc(C#N)c(F)c3)C(=O)C2(C)C)cc1F,bindingdb_475862
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CC2C)cc1Cl,CHEMBL572341
+Cn1ccc2cccc(CNc3cccc(-c4c(-c5ccccc5)nnc5c(Cl)cccc45)c3)c21,CHEMBL558495
+Cc1cncc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1,bindingdb_653666
+O=C1C(=O)N(Cc2cccnc2)C(c2cccc(F)c2)C1C(=O)c1ccc2c(c1)OCO2,bindingdb_953767
+O=C(NN=Cc1cnc(N2CCCCC2)s1)c1ccc(Cl)cc1,bindingdb_112191
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn3c2OCCC3)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_655059
+O=C(/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1)Nc1ccccc1,CHEMBL4227113
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1CO,bindingdb_648673
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183912
+COc1ccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)cc1,CHEMBL2441108
+CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O,CHEMBL3354988
+CC(C)n1cc(CNC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)cn1,bindingdb_646297
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)N4CCOCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019071
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,CHEMBL280065
+Clc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,CHEMBL2316544
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C3CC3)c2=O)nc1,bindingdb_650854
+CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322174
+CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL226558
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3CN3CCCC3)sc3cc(O)ccc23)cc1,bindingdb_401222
+Cc1nc(-c2ccc(N3CCN(c4ncc(CO)c(C(F)(F)F)n4)[C@H](C(C)C)C3)cc2S(C)(=O)=O)ns1,bindingdb_1143341
+O=C(O)[C@H](CCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,CHEMBL2375948
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C(=O)c2cccc(C(=O)O)c2)c2cccc3ccccc23)c(Cl)c1,CHEMBL2032446
+CN(C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc3c(cc2s1)OCCO3,bindingdb_55564
+CCc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,bindingdb_1026199
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC4(C(F)(F)F)CCC4)cc32)ccc1F,bindingdb_645342
+Cc1cc(S(=O)(=O)C23CCN(C(=O)C45CCC(C(=O)O)(CC4)CC5)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1F,bindingdb_647892
+CC(=NNC(=O)c1cc(C(C)C)n[nH]1)c1cccs1,bindingdb_1000198
+O=C(NCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)C12CC3CC(CC(C3)C1)C2,CHEMBL4204624
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC3(C)CCC3)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183999
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2ccccc2)c1,CHEMBL576924
+Cc1ccc(S(=O)(=O)[C@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1F,bindingdb_653403
+COC(=O)/C=C/c1ccnc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCOCC2)c1,bindingdb_1018358
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(OCC4CCC4)c3CC[C@H]12,bindingdb_650574
+CC(CC(=O)O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018763
+C[C@@H](CO)CN1[C@H](c2ccc(/C=C/C(=O)O)cc2)c2[nH]c3ccccc3c2C[C@H]1C,CHEMBL3623000
+CC(C)[C@@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1c1cccc(C(F)(F)F)n1,bindingdb_1004716
+CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCN3CCOCC3)ccc12,bindingdb_1762
+O=c1oc2ccccc2c(Nc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(F)cc1,CHEMBL4161973
+CC(C)(C)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4C(=O)OC[C@H]4Cc4ccccc4)c3)cc2)cc1,CHEMBL3601087
+CC(C)CC(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1,bindingdb_649772
+Cc1ccc2nc(CSc3nc(C)ccc3C#N)[nH]c2c1,bindingdb_999655
+CC(C)(O)CNC(=O)c1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)nn1,bindingdb_475642
+C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_109245
+C[C@]12CN(C(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1209970
+C=CCC1Oc2ccc(CO)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8637
+N#Cc1ccccc1S(=O)(=O)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094365
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(C(=O)O)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695803
+C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])cc1,CHEMBL178634
+CC[C@@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1O,CHEMBL4101232
+COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cccs2)C1=O,CHEMBL1329285
+O=C(Cc1ccccc1)c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL1208366
+CC(C)c1onc(COc2ccc(Cl)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL492963
+C=C(c1ccc(CCCC)cc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765938
+Cc1ccc(OCCNCCCF)c(C)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403574
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CC[C@H](O)C1,bindingdb_654356
+Oc1ccc2cc(-c3ccc(O)c(F)c3)ccc2c1,CHEMBL193727
+Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C,CHEMBL1407054
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCCC1c1cccnc1,bindingdb_651678
+Cc1c(Cl)cc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4)no3)cc12,bindingdb_965502
+C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_403183
+CCCS(=O)(=O)NC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1017719
+O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4c(C(F)(F)F)cccc43)c2Cl)CC1,bindingdb_206632
+C=CCC1(C)Oc2c(ccc(O)c2C)-c2c(C)cc(O)c(C)c21,CHEMBL203123
+CC(C)(Oc1ccc(CCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204691
+CCCOC(=O)N1CCc2c(OCCc3nc(-c4ccccc4)oc3C)ccc(CCC(=O)O)c2C1,CHEMBL376460
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)c2)N1CC(F)(F)F,bindingdb_402748
+Oc1cc2c(cc1F)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc3occc3c1)CCO2,bindingdb_401352
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(ncn2Cc2ccc(F)cc2)c1Cl,bindingdb_417344
+CCN(CC)Cc1ccc(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)Cc5cc(O)ccc5[C@H]4CC[C@]23C)c(OC)c1.O=C(O)CC(O)(CC(=O)O)C(=O)O,DB05966
+CCOc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1018196
+O=S(=O)(Nc1cccc2ncccc12)c1cccs1,bindingdb_760626
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(=O)(=O)C1CC1,bindingdb_647569
+Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1ccc(F)c(O[C@@H](C)C(=O)O)c1,CHEMBL455130
+CCOC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)OCC,CHEMBL399629
+CC(=O)NC[C@H]1Oc2ccc(NC(=O)OC(C)(C)C)cc2N(S(=O)(=O)c2ccc(F)cc2)[C@@H]1C,bindingdb_645950
+CCn1cc(S(=O)(=O)N2C[C@@H](CCC(=O)O)Cc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649672
+Cc1cc(SCc2nn(-c3ccccc3)nc2C)ccc1OC(C)(C)C(=O)O,CHEMBL3905468
+CCn1cc(S(=O)(=O)N2CCC(=O)c3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648219
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)c3nn[nH]n3)nc2CC2CCCCC2)c2ccccc12,bindingdb_647358
+COc1c(F)cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_402949
+CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc21,bindingdb_1026192
+CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018622
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CCC1=O,CHEMBL3403688
+CCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O,CHEMBL3094433
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_653935
+CN(C)c1ccc(C2c3nnnn3CCN2Cc2cccc(F)c2F)cc1,bindingdb_654317
+Oc1ccc2c(c1)C(c1ccc(OCCN3CCCCC3)cc1)c1c(sc3cc(O)ccc13)C2,CHEMBL4171598
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F,bindingdb_1183722
+O=C(CSc1ncnc2c1oc1ccccc12)c1cccs1,bindingdb_953836
+CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2CC(O)CO)cc1C(C)(C)C,CHEMBL3926084
+N#Cc1ccc(-c2ccccc2O)cc1C(F)(F)F,CHEMBL391548
+CC(=O)N1CCC2(C1)CN(c1ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc1)C2,bindingdb_651201
+Cc1cc(N(C)C)cc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_653689
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4cncnc4C(C)C)nc3n(C(C)C)c2=O)nc1,bindingdb_651459
+CC(C)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1,bindingdb_649265
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)[C@@H](C)CC[C@]12C,CHEMBL3593364
+COC(=O)NCCCN(C)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_125930
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(C)(=O)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C)n1,bindingdb_653353
+N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12,CHEMBL192154
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402321
+Cc1nn(CCCO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337733
+O=C(O)CCc1ncc(-c2ccc(-c3ccccc3)cc2)o1,CHEMBL4285580
+O=C(/C=C/c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL3355872
+Cc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1,CHEMBL197188
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccccc3)cc2S(=O)(=O)N1,bindingdb_846250
+Cc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3c(F)cc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646830
+COC(=O)c1cccc(NC(=O)C23CCC(C=Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)C3)c1,bindingdb_1018935
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NCc3ccccc3)c2)c1)c1ccc2c(c1)OCOC2,bindingdb_417363
+O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21,bindingdb_584167
+Cc1cc(OCc2c(-c3cc[nH]c(=O)c3Cl)noc2C(C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,bindingdb_846298
+Cn1nc(C(=O)O)c2ccc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc21,bindingdb_1018018
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654769
+CCCCCCCCCC(=O)Oc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL3774642
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL374355
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=N/OCc2ccccc2)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682426
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc12,CHEMBL3735765
+Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C,bindingdb_108512
+O=C1c2ccncc2C(=O)N1[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_653597
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cc(F)ccc3F)c(F)c2)CC1,bindingdb_653724
+CN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O,CHEMBL158781
+CCCc1cc2c(=O)n(C(C)C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL191556
+C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C,DB00823
+Fc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2F)c1,bindingdb_646524
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CC2C)c(Cl)c1,CHEMBL561170
+O=c1oc(-c2cc3ccccc3o2)nc2sc3c(c12)CCCC3,bindingdb_672519
+Cc1cnc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1018041
+CCOc1nn(CC)cc1S(=O)(=O)N1CCCc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_649752
+CCOC(=O)Cc1nnnn1CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1017847
+Cc1ccc2nc(C(C#N)=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1,bindingdb_401384
+CC(=Nc1ccccc1)c1sc2ccccc2c1O,bindingdb_1000141
+CC1(NC(=O)c2cc(-c3sc(C(=O)NC4CCS(=O)(=O)CC4)nc3CC3CCCCC3)cc(C3(C)CC3)c2)COC1,bindingdb_650058
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cn1ccc(=O)[nH]c1=O,bindingdb_653112
+Cc1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cc(NS(C)(=O)=O)n1,bindingdb_648931
+Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1,CHEMBL1438484
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(NC(=O)OC(C)(C)C)c4)ccc1c23,CHEMBL3234249
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(c5ccccc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4204358
+FC(F)(F)c1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1,CHEMBL179510
+CN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(CC(=O)O)cc1,CHEMBL4247595
+CC(C)Oc1c(N2CCC2)nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_650188
+Cc1cc(O)c(C)c2c1-c1ccc(O)c(C)c1OC2C,CHEMBL206584
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)no1,bindingdb_982715
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2o1,CHEMBL2024025
+O=C(O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(F)c1,bindingdb_1018005
+CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL364329
+O=C1C[C@@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N1,bindingdb_649517
+O=C1NC(=O)C2(CCN(C(=O)N3CC[C@](c4ccc(C(OCc5c(F)cccc5F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)CC2)N1,bindingdb_646380
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(F)(F)F)c(C)c1,CHEMBL3093443
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1C(C)(C)CCCC1(C)C,bindingdb_652978
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C(F)(F)F)C(F)(F)F)ccc2O1,bindingdb_646468
+COc1cccc(-c2coc3cc(O)ccc3c2=O)c1,CHEMBL573966
+CC/C=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,bindingdb_1057271
+COc1cc(NC2CN(CCCF)C2)ccc1[C@]1(C)c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)F,bindingdb_402072
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(N)cc1)C2,CHEMBL271502
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCCC3)cc2)Oc2ccc(O)cc21,CHEMBL4169627
+O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O,CHEMBL124318
+Cc1ccc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C5CCCC5)C(C)(C)C4)cn3C)c2C)cc1C#N,bindingdb_645695
+CCCCCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL2413325
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3C)cc21,CHEMBL378586
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2o1)C(F)(F)F,CHEMBL1254906
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2c(F)cccc2F)C3)cc2ccccc21,bindingdb_1004497
+C=C1C[C@H](C[C@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C(=C)[C@H](O)C4)CCC[C@]23C)OC1=O,CHEMBL409470
+COCc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_404145
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,CHEMBL595006
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_109225
+Oc1ccc(Oc2c(Br)cc(CC(O)O)cc2Br)cc1C(O)NCCc1ccccc1,DB02106
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649472
+Cc1nc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc2n1C,bindingdb_18635
+COc1ccc([C@H]2CC[C@H](CN(c3cccc(-n4cc(C)cn4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1C,bindingdb_1018711
+CC(C)(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1,bindingdb_1054248
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H]3C[C@@H](OC)C3)c2=O)nc1,bindingdb_647523
+NCCCCCc1nnc(SCc2ccccc2Cl)o1,bindingdb_584240
+Cc1ccc2nc(-c3cccc(Cl)c3)c(NCc3ccccc3)n2c1,CHEMBL4099199
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(Cl)c2OCC1,bindingdb_402246
+CC(C)(O)CNC(=O)CC1CSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,CHEMBL4206368
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](CC(F)(F)F)C2CC2)cc1OC(F)F,bindingdb_1183093
+CCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1091939
+CC(C)S(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590610
+Cc1cc(C(=O)O)c(O)cc1-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2c1CCCC2,bindingdb_998198
+COc1cc(OCC23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(=O)O)c1,bindingdb_1017429
+O=C(Nc1nc2ccccc2s1)c1cc2c(s1)-c1ccccc1OC2,CHEMBL1340716
+O/N=C/c1ccc(-c2ccc(O)cc2)c2ccsc12,CHEMBL394357
+COc1ccccc1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(F)cc(C(=O)O)cc2s1,bindingdb_1019017
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COc1nc2ccccc2s1,CHEMBL2023240
+CCCC1Oc2c(ccc(O)c2C)-c2c(C)cc(O)cc21,CHEMBL202673
+Cc1ccccc1CN(C)C(=O)CCCN1c2ccccc2N(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)S1(=O)=O,CHEMBL3402135
+Fc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL25021
+COc1ccncc1NC(=O)N1C[C@H](C)N(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C,CHEMBL197648
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CCC(F)(F)F,bindingdb_652720
+C[C@@H](CN1CCOCC1)n1/c(=N\C#N)[nH]c2cc(/C=C3\c4ccc(F)cc4COc4cc(F)ccc43)ccc21,CHEMBL4083760
+CCCC[C@]12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL377560
+CCCCCCOc1ccc(C(=O)C(CN(C)C)c2ccccc2)cc1,CHEMBL550766
+O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2,CHEMBL1391547
+CN(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)S(=O)(=O)c1ccccc1,CHEMBL204282
+Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1,CHEMBL2316540
+O=C(O)c1ccc(-c2cn3c(n2)C(c2c(Cl)cccc2C(F)(F)F)OCC3)cc1,CHEMBL3598147
+CC(=O)c1sccc1NC(=O)c1ccccc1C(=O)[O-],bindingdb_953779
+Cc1c2c(n(-c3ccc(CCCC(=O)O)cc3)c1C)CCC(F)(F)C2,CHEMBL4173918
+CCc1ccc(CN2Cc3sc(NC(=O)Cc4ccc(S(=O)(=O)CC)cc4)nc3[C@@H]2C(C)C)cc1,bindingdb_270876
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC3(COC3)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183423
+Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1,bindingdb_45553
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@@H](CC(C)(C)C(=O)O)[C@@H]2C)c(Cl)n1,bindingdb_645760
+Cc1cc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nn1C[C@H](C)O,bindingdb_651205
+CCOc1cc(F)c(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)cc1F,bindingdb_402133
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC(=O)N[C@H]1CC[C@H](O)CC1,bindingdb_654851
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C[C@H]2CO)CC1,bindingdb_649117
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NCC(N)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648127
+CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2ccc(C)cc21,CHEMBL3289659
+CCc1nnc(NC(=O)C2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1,CHEMBL1383468
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)O)csc2c1,CHEMBL233976
+CC(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)no1,bindingdb_1018435
+C[C@H]1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,bindingdb_964688
+COc1ccccc1-c1noc(-c2cccs2)n1,bindingdb_1000029
+COc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)cc1,CHEMBL1165483
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)cc1C(F)(F)F,bindingdb_511749
+COc1cc(-c2nc(OC(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL219669
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3(C)CC3)c2=O)nc1,bindingdb_646108
+Cc1cc(C)cc(N(C)c2cc(C(=O)N3CCCC3)n(C)c2)c1,CHEMBL480183
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2348913
+CCCC1=NC(=O)NC(c2cc(Cl)cc(OC)c2OCC(=O)OCC)C1C(=O)OCC,bindingdb_34088
+CCCCn1c(=O)c2ccc(C(F)(F)F)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3260001
+COc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)C2CCCCC2)c1,CHEMBL1163484
+COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)(C)C)c1,CHEMBL3901719
+Cc1cccc(S(=O)(=O)C2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)c1,bindingdb_654529
+Cn1cc(CNC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)cn1,bindingdb_645376
+Cn1cc(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)cn1,bindingdb_647996
+CN(C)c1cccc(C(=O)N/N=C/c2ccccc2F)c1,bindingdb_55614
+Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2ccc(F)cc2Cl)c(C)c1,CHEMBL1093828
+O=C(O)[C@@H]1C[C@@H]2[C@H](C1)[C@H]2C(=O)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3907460
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)cc1,bindingdb_1017783
+O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3cccc(F)c3)cc2N1,CHEMBL1929033
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1(O)COC1,bindingdb_653493
+CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,CHEMBL3609408
+CCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(=O)O,CHEMBL3318037
+Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1,CHEMBL518499
+O=C(N1CCC(O)(C(F)(F)F)CC1)N1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648433
+CS(=O)(=O)c1cccc(-c2cccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)c2)c1,CHEMBL3360967
+O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1,bindingdb_953869
+CCCCS(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL402284
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NCCc3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1,CHEMBL3109226
+C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]13)C2(C)C,CHEMBL382942
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2/C1=[N+](/C)[O-],CHEMBL248663
+O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)C12CC3CC(CC1C3)C2,CHEMBL4205118
+CC(C)CN(c1ccc(C(O)(C#Cc2cccc(C#N)c2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070451
+COC(=O)N1CC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_123902
+CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL50984
+COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2)cc1,CHEMBL66511
+COC(=O)c1ccc2c(N(C[C@H]3CC[C@H](c4ccccc4C)CC3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1017854
+CCCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL402840
+N#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)c(Cl)c12,CHEMBL195807
+CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1,bindingdb_1016241
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCC(C)(C)C2)cc1,CHEMBL3317861
+COc1ccc2oc(C(=O)Nc3ccccn3)c(C)c2c1,bindingdb_1000289
+N#CC(C(=O)Nc1ccccc1)=C1CCCCC1,CHEMBL1446793
+CCCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL250041
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(C[S@](C)(=N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651871
+O=C(NC[C@H]1CC[C@H](Oc2ccnc3c(F)cccc23)CC1)c1ccno1,bindingdb_475731
+O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccc([N+](=O)[O-])cc1,CHEMBL2441101
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1,CHEMBL1562870
+COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168499
+C[C@H](NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CC1,bindingdb_650228
+CCCCNC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL499629
+Cc1cc2cc(NC(=O)C(=O)O)ccc2n1Cc1ccc(O)c(C(C)C)c1,CHEMBL3126368
+Clc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1,bindingdb_584087
+C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL421115
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ccccc4F)ccc23)cc1,bindingdb_55092
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1,CHEMBL94306
+CCc1nn(C)c(CC)c1Oc1nn(-c2ccc(C(=O)O)cc2)c2ccccc12,CHEMBL3976477
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](F)C1,bindingdb_988855
+NC(=O)N1c2ccccc2C=Cc2ccccc21,DB00564
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)N(CC)CC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018696
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1,bindingdb_1005007
+CCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCC1,bindingdb_539820
+O=C(CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(F)cc4)C2O3)cc1)NO,CHEMBL3589698
+CN(C)C(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645154
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)/C(=C(\C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O,2o4r
+CCCc1cc(C(=O)c2ccccc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)O)ccc21,CHEMBL492324
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(C(F)(F)F)c1,bindingdb_476105
+O=C(Oc1ccc(-n2c(O)ccc2O)cc1)c1ccco1,bindingdb_17497
+O=C(C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1)N1CCOCC1,bindingdb_40615
+COc1c(C)cc2c(=O)oc3c(C)c(O)ccc3c2c1C,CHEMBL206441
+CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl,CHEMBL2179253
+FC(F)(F)c1cccc(COc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)c1Cl,CHEMBL550983
+COc1ccc(-n2cc(-c3ccc(C)cc3)[n+]3c2SCC3)cc1,bindingdb_539854
+O=C(O)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O,bindingdb_112141
+CC1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCS(=O)(=O)CC1,bindingdb_653529
+C[C@]1(C(=O)NCCc2ccccc2)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL196145
+CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1,CHEMBL192431
+O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)nc3)nc3cc(F)c(F)cc32)c(Cl)c1,bindingdb_846323
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(C4(CS(C)(=O)=O)CC4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652605
+CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5cnc(C6CC6)nc5)c4)(CC2)CC3)n1,bindingdb_1018242
+COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(SCC(=O)Nc3ccccc3Cl)nc2c1,CHEMBL1521111
+COc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12,CHEMBL3261399
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1,bindingdb_476117
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(N)(=O)=O)CC2)c(C)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1184038
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccc(N4CC(O)C4)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649884
+Oc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1OC3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050095
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)nc(N)nc4C4CC4)nc3n(C(C)C)c2=O)nc1,bindingdb_654242
+Oc1ccc2c(c1)CCCC(c1ccccc1C(F)(F)F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402531
+COC(c1ccccc1OC(F)(F)F)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,CHEMBL3103199
+CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206600
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183387
+CN(CCCCC1CCSS1)CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL211597
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)c(F)c1,bindingdb_511715
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccccc3C(F)(F)F)c2)cc1,CHEMBL3109233
+CC12C[C@@H](O)C(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12,CHEMBL272574
+CCCc1c(OCCCn2ccc3c(OCC(=O)O)cccc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL384746
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2cccc(C#N)c2)C3)cc2ccccc21,bindingdb_999647
+CC1=C2c3ccc4[nH]ncc4c3CC2(C)CCC1=O,CHEMBL212468
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183720
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1,bindingdb_654194
+C/C(=N\OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(OCC(=O)O)c(C)c1,CHEMBL1644299
+CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O,CHEMBL194802
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3=CCC(=O)CC3)c(C(F)(F)F)c2)cc1,bindingdb_650825
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(Cl)cccc3Cl)cc12,CHEMBL3695865
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)nc2Oc2c(F)cccc21,bindingdb_1054291
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)c(S(C)(=N)=O)c2)cc1,bindingdb_54973
+O=C(O)c1ccnc(C#CC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1017394
+c1ccc(-c2csc(N3CCCCC3)n2)cc1,CHEMBL3323473
+O=C(O)c1cccc(-n2cccc2/C=N/O)c1,CHEMBL1995948
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(Cl)n1,bindingdb_650969
+Cc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_649405
+CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCC2,CHEMBL1669770
+COc1cccc(-c2nc(-c3ccc(Br)o3)no2)c1,bindingdb_1000061
+COc1nc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL3263758
+CCCC(CCC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br,CHEMBL202336
+CC(C)[C@@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1c1ccc(C(F)(F)F)cn1,bindingdb_1004626
+O=C(O)c1cccc(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)c1,bindingdb_648497
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)ccc1C#N,bindingdb_1004640
+O=C(CCCCC1CCSS1)NCCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL209364
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC)CC[C@@H]23)C[C@@H](O)/C(=C\CCO)[C@@H]1O,CHEMBL1830164
+CC(C)(O)c1coc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(F)(F)C3)c2)n1,bindingdb_1018165
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC(Nc2c(-c3ccccc3)c(=O)c2=O)C1,bindingdb_649695
+Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2Br)c1=O,CHEMBL230029
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1C1CCC1)C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_206206
+CCN(CC)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F,bindingdb_645069
+CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cc1,bindingdb_646226
+CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(-c2ccccc2Cl)n1,CHEMBL3360971
+COc1cc(C[C@H](OC)C(=O)O)ccc1OCCCOc1ccc(Oc2ccccc2)cc1,CHEMBL180504
+COc1ccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,bindingdb_757623
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCCO1,bindingdb_648250
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCC4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018255
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC(C)(C)O,bindingdb_648566
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cc(OCc3nc(-c4ccc(Cl)cc4)oc3C)ccc2F)cc1,CHEMBL3827617
+CCCCC/C=C(\CCCCCCCCCCC(=O)O)[N+](=O)[O-],CHEMBL549351
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(C#N)cc4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1019044
+COc1ccc2[nH]c(C(=O)Nc3cccc(C)n3)cc2c1,bindingdb_999760
+CC(C)N1CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)C1,bindingdb_647260
+CC(/C=C/C1=C(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)O,CHEMBL79234
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(C(C)(C)C(=O)OC)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263743
+CC[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183411
+O=C(O)c1cc(C(F)(F)F)cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1017521
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018694
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(O)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018391
+CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3Cl)CC2)cc1)C(=O)O,CHEMBL514871
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(Cl)cc3)C2=O)cc(OC)c1,CHEMBL2407645
+CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,CHEMBL4088467
+O=C(c1cc2ncc(Br)cn2n1)N1CCOCC1,CHEMBL1569157
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL1475434
+Cc1cccc(C)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650270
+COc1cc(CNC(=O)[C@@]2(Cc3cccc4nonc34)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407641
+CCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1,CHEMBL2426635
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(C)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017995
+CC(C)c1onc(COC(C)(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL513475
+Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1,bindingdb_982657
+C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC,CHEMBL1323944
+CC(C)(O)CN1C[C@@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1=O,bindingdb_648830
+CCO[C@@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)N(C)OC,bindingdb_88915
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2Cl)N1CC(C)(C)C(=O)O,bindingdb_401400
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccccc3)ccc21,CHEMBL1911144
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)cc1,CHEMBL81111
+Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc3ccccc3c2=O)cc1,CHEMBL4085687
+O=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,bindingdb_745807
+CCOc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,bindingdb_404108
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183752
+COc1cc(S(=O)(=O)N2C[C@H](CC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1F,bindingdb_647425
+c1ccc2nc(N=NCc3ccc4c(c3)OCO4)ccc2c1,bindingdb_69026
+COc1ccc2c(c1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4087736
+O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1,CHEMBL1431490
+O=C1CC(c2ccc(O)cc2)Oc2ccccc21,CHEMBL73933
+CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Cl)C(=O)c2ccccc21,CHEMBL1381495
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(CCO)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646000
+Cc1cc(O)ccc1-c1cc(-c2ccc(OCCN3CCCC3)cc2)c(-c2ccc(O)cc2C)[se]1,CHEMBL4281803
+Cc1occc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_403252
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O,CHEMBL3355865
+C=C(c1ccccc1)[C@@]12CC[C@@H](OC(C)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765961
+Cc1c(CNC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)cnn1C,bindingdb_647198
+Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1,CHEMBL4293480
+Cc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1C,bindingdb_539931
+COc1ccccc1NC(CC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1,bindingdb_69130
+COc1nc2ccc([C@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CC1,bindingdb_645762
+COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)OC(C)(C)C)C2)cc1F)(C(F)(F)F)C(F)(F)F,bindingdb_647572
+Cc1cc(C)c2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)n[nH]c2n1,bindingdb_108441
+CCn1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_653836
+COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c(C#N)cccc32)c(Cl)c1,CHEMBL3233069
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CO)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_645552
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5cnc(C(F)(F)F)nc5)c4)(CC2)CC3)no1,bindingdb_1017582
+CCCCOc1ccc(-c2c(C#N)c(S)nc(C)c2C(=O)Nc2ccccc2)cc1,CHEMBL1433074
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(F)c1,bindingdb_648530
+NS(=O)(=O)c1cccc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3793422
+CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1,bindingdb_68993
+CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCc4ccccc4C3)s2)cc1[N+](=O)[O-],CHEMBL2070094
+C[C@H](C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1)C(C)(C)C,bindingdb_646107
+CC(C)(C)c1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cc1,CHEMBL4074486
+Cc1ccc(Nc2ncccc2C(N)=O)cc1,bindingdb_1000177
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccc(F)cc1,CHEMBL577945
+Cc1cc(C(C)(c2ccccc2)c2ccc(O)c(C)c2)ccc1O,bindingdb_831495
+N#CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)CC1,bindingdb_988719
+Nc1nc2ccccc2cc1C(=O)NCc1ccc(-c2ccccc2)cc1,bindingdb_539872
+CCCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4081969
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cn1,bindingdb_403609
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCC2(C(F)(F)F)CCC2)cc1OC,bindingdb_1183196
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CS(=O)(=O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184069
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182634
+O=c1c2ccccc2cnn1-c1ccc2ccccc2c1,bindingdb_1000119
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)Cc2ncc(NC(=O)c3c(F)cccc3Cl)cc21,bindingdb_998189
+Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1,CHEMBL401616
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2)N1CC(C)(F)F,bindingdb_403514
+CCC(CC)(c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1270948
+COc1cc(CNC(=O)[C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)C(=O)N2C)cc(OC)c1,CHEMBL2407653
+CCN(CC)c1nc2ccc(C(O)(c3ccc(OC)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1,bindingdb_1183929
+Cc1cc(F)ccc1-c1c(N(C)c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2oc1=O,CHEMBL3427404
+Oc1ccc(C2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL56390
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cc(F)cc(F)c2)cc1O,CHEMBL2031952
+CN(C)C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccccc1)C2,CHEMBL257203
+CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1)n1c(=S)[nH]c2ccccc2c1=O,CHEMBL1356953
+CCC(Oc1cccc(CN(CCCOc2ccc(F)c(F)c2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL391620
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1182946
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCCCC2)c2ccccc12)C(F)(F)F,bindingdb_650388
+CC(C)(Oc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O,CHEMBL489768
+CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N,bindingdb_760189
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCn4ncnc4C2)C3)c(F)c1,bindingdb_650769
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1COC1)O2)C(F)(F)F,bindingdb_645906
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183215
+CC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(C(F)(F)F)C2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_650912
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-],CHEMBL2348901
+Cc1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F,CHEMBL1094514
+CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC,CHEMBL197268
+CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)Cc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL102004
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccc(C)cc3)cc2)cc1)C(=O)O,CHEMBL3355863
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(C)c(C)c1,CHEMBL592236
+COc1nc2ccc([C@](O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C,bindingdb_645426
+O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1,CHEMBL4061965
+CCCCCCn1cnc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21,CHEMBL465733
+Cc1ccc(Nc2ncccc2C(N)=O)cc1[N+](=O)[O-],bindingdb_1000316
+CCn1c(Oc2ccc(C(F)(F)F)cc2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206359
+O=C1O[C@](Cc2ccccc2)(C(=O)NCc2nccs2)C(=O)N1Cc1ccccc1,CHEMBL2407861
+CCCCCCCN(CCc1ccc(OCC(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2220274
+O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CC4(F)F)ccc3[nH]2)cc1)c1ccccc1Cl,CHEMBL214457
+C[C@@H]1Cc2cc(O)ccc2[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F,CHEMBL3774584
+CC(C)CN(Cc1ccc(N2CCC(C(C)(C)O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647748
+C=CC(=O)c1ccc(NC(=O)CCC)cc1,CHEMBL395872
+CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DB01174
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(Oc3ccc(F)cc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_648282
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1F)c1ccccc1,CHEMBL1825129
+CC(C)CN1[C@H](c2ccc(OCCNCCCF)cc2)c2[nH]c3ccccc3c2C[C@H]1C,bindingdb_402957
+CN(C)C(=O)c1ccc2c(c1)c(Sc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3961289
+OC1(C(F)(F)F)CCCc2c1[nH]c1c(F)cc(Cl)cc21,CHEMBL3682524
+COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1)=CC(C)(C)N2,CHEMBL394345
+COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(F)c4)oc3C)cc2oc1=O,CHEMBL514381
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CHEMBL1350028
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(NCc6ccc(N)cc6)nc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_402279
+CN(C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348868
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(OCCN3CCOCC3)c2)CC(C)(C)c2c(C(F)(F)F)n[nH]c21,bindingdb_1017815
+CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1,bindingdb_982700
+CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961269
+O=C(O)[C@H]1CC[C@](O)(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_650848
+CS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCF)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645235
+CC(=O)C1CCN(C(C(=O)NC2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)CC1,CHEMBL1642352
+O=C(O)[C@H]1CC[C@@H](n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1,CHEMBL3929988
+Cc1cc(OCc2nc(-c3ccc4c(c3)OCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1079965
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL104037
+COC(=O)c1cccc(F)c1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_651470
+Cn1cc(C(=O)NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cn1,bindingdb_654423
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(-c3ccc(F)cc3F)ncn2c1,CHEMBL2426146
+NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1,bindingdb_988984
+COc1ccc2c(-n3c(C)c(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc43)noc2c1,CHEMBL364894
+Cc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1,bindingdb_69007
+CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O,CHEMBL2263561
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCc2ccccc2)c(C(=O)OC)c1,CHEMBL4167545
+COc1nc(CCNC=O)nc2c1CC[C@@H]1[C@@H](C)C(=O)C(C#N)=C[C@@]21C,bindingdb_54997
+CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1,CHEMBL1329686
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC2)C3)CC1,bindingdb_646097
+O=C(NC1CCS(=O)(=O)CC1)c1nc(CC2CCCCC2)c(-c2ccc(C3(O)CCC3)c3ccccc23)s1,bindingdb_648870
+Cc1c(C)n(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12,CHEMBL3678138
+COc1cc(O)c(C(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2326703
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1,CHEMBL3798333
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)O[C@H](C(C)(C)C)C(F)(F)F)cc32)ccc1F,bindingdb_645367
+C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O,CHEMBL122708
+COC(=O)[C@](C)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1,bindingdb_672538
+CC(C)n1c(O)nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL329631
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCC(F)(F)C3)cc2C(F)(F)F)s1,bindingdb_1183007
+CC(C)c1ccc(NC(=O)c2cnc3c(c(Br)nn3C)c2Cl)cc1,bindingdb_168416
+CN=S1(=O)CC2(CN(C(=O)c3nc(C(=O)N4CC(F)(F)C[C@@H]4C)c(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c4Cl)s3)C2)C1,bindingdb_645272
+O=C(CO)N[C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648555
+O=C(NC1CCOCC1)[C@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650463
+CC(C)(CC(=O)O)Cc1nc(-c2ccc(Cl)cc2)no1,bindingdb_108542
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1,CHEMBL1917242
+COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCc5ccccc54)c3n2)cc1,bindingdb_112101
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(C)nc4)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1017990
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3CO)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695798
+Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1,bindingdb_672497
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21,CHEMBL199398
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn([C@H]4C[C@@H](O)C4)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650940
+CCCC[C@@]12CCC(=O)C(CC)=C1c1ccc3[nH]nc(F)c3c1C2,CHEMBL213829
+COc1ccc(C)cc1-n1nnc(C(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356193
+Cn1ccc2cc([C@H]3CC[C@H](CN(c4cccc(-c5cnn(C6CC6)c5)c4)C(=O)[C@H]4CC[C@H](O)CC4)CC3)ncc21,bindingdb_109229
+CC(=O)NC(=O)C(C)(C)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21,bindingdb_1054259
+CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706877
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCC3)C2)cc1,CHEMBL403179
+CC(C)c1onc(-c2c(Cl)cccc2Br)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL101381
+CCCc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC(C)C)cc2)cc1,CHEMBL1080823
+Cc1nc(-c2nc(-c3ccnc4ccccc34)nc3c2CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)no1,bindingdb_650841
+O=C(Nc1nccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12,bindingdb_953892
+COc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)c(OC)cc1Cl,CHEMBL1312859
+O=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)cc1,CHEMBL1342389
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F,bindingdb_1183637
+Oc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1,bindingdb_112154
+Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2F)cc1,CHEMBL3139493
+CCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,bindingdb_1005034
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(Br)ccc23)c(F)c1,bindingdb_654519
+O=C(O)[C@H]1CC[C@](O)(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)CC1,bindingdb_646564
+COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1,CHEMBL1519384
+CCOc1nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c(Cl)c1N(C)c1ccccc1,bindingdb_645404
+CS(=O)(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_649548
+CCn1c(CN2CCC(C(F)(F)F)CC2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_206652
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3CO)cc1,bindingdb_123951
+COc1ccccc1-c1ccc2c(c1)C(CSc1ccccc1)=CC(C)(C)N2,CHEMBL382346
+Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,CHEMBL188051
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)ccc1Cl,bindingdb_1143419
+COc1cc(CN=O)ccc1OCc1ccc(C(=O)O)cc1,bindingdb_583979
+O=C(/C=C/c1ccccc1Cl)Nc1ccccc1,bindingdb_999718
+Cc1nc(-c2ccc3c(c2)NC(=O)CO3)c(-c2ccccc2)s1,CHEMBL1928879
+CC1C(=O)OC[C@H]1NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647739
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccc2c(c1)COC2,CHEMBL1097377
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@@]21C,CHEMBL4173222
+O=C(O)Nc1cc(Cl)c(-c2cccc3c(-c4ccccc4)c(O)ccc23)c(Cl)c1,CHEMBL196613
+Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL219587
+CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1,CHEMBL403885
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2Cl)cc1,CHEMBL4217033
+Fc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1,bindingdb_672378
+Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccncc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL471533
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CCC(=O)O)CC3)c1Cl)n2C,bindingdb_206473
+CCCCC12CCC(=O)C=C1c1ccc3[nH]ncc3c1C2,CHEMBL380106
+CC1CC(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)C1,bindingdb_648454
+CC(=O)N1CC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_649400
+C[C@@](O)(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(F)(F)F,bindingdb_651045
+CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL3781370
+Cc1nn(-c2ccccc2)c2sc(C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc12,CHEMBL1581991
+Cc1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)c(O)c1,bindingdb_1000108
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3C3COC3)sc3cc(O)ccc23)cc1,bindingdb_401417
+CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230158
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)cc1,CHEMBL3814807
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(O)c3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640828
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(CN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1cc(F)ccc21,CHEMBL603282
+Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(=O)(=O)c2ccccc2)c1,CHEMBL3781901
+CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C#N)c(-c2ccccc2)c1,bindingdb_475806
+C/C(=C\c1ncc(C(=O)O)n1S(=O)(=O)N(C)C)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL433178
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403794
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(C)C3)c1Cl)n2C,bindingdb_646352
+O=C(O)C(Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1,CHEMBL574386
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)COC)c2=O)nc1,bindingdb_647786
+CCc1ccc2[nH]c3nc(N=NCc4ccc(O)cc4O)nnc3c2c1,bindingdb_91238
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)c2cccc(C#N)c2)cc1,bindingdb_270514
+O=C(CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCCO,bindingdb_653691
+CN(C)C(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,bindingdb_760504
+CC(C)(O)C1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645226
+COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)(C)C)cc12,CHEMBL3605926
+COc1ccc(C23CCC(CN(c4cccc(-c5cnn(C6CC6)c5)c4)C(=O)[C@H]4CC[C@H](N)CC4)(CC2)CC3)cc1C,bindingdb_1017439
+O=C(c1cccc(-c2ncn[nH]2)c1)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12,bindingdb_650852
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc3cnccc23)C1=O,CHEMBL2407864
+O=C(Nc1ccc(F)cc1F)c1noc2c1CCC2,CHEMBL1510117
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cn1,CHEMBL3361064
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)Oc3ccc(Cl)cc3)ccc2O1,bindingdb_650516
+C/C(Cl)=C\Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,bindingdb_584161
+COC1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)c(C)c4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_647429
+C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)C[N+]12CC[N+]34CC[N+]56CC[N+]7(CC1)CC(=O)O[Gd-4]5372(OC(=O)C6)OC(=O)C4,bindingdb_430644
+O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL368906
+CC(=O)N1CCC(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)CC1,bindingdb_651473
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1c(F)cccc1F)Oc1ccccc1-3,CHEMBL344644
+COCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1,bindingdb_831340
+Cc1nn(C)c2ncc(C(=O)Nc3cccc(C(C)C)c3)c(Cl)c12,bindingdb_168399
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cnoc4)cccc3[nH]2)C1=O,CHEMBL3578296
+N#Cc1ccc(C(O)(C2CCC2)C(F)(F)F)cc1Cl,CHEMBL3819102
+CN(C)c1cc(C(=O)O)nc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018082
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCCC2)c2ccncc12)C(F)(F)F,bindingdb_648572
+Cc1c(O)ccc2c1oc(=O)c1cccc(C)c12,CHEMBL205988
+COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F,CHEMBL1255080
+CCN(Cc1ccc(C(F)(F)F)cc1F)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988903
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C4CCC3CC(OC(=O)c3c(C56CCC(CC5)CC6)noc3C3CC3)C4)sc2c1,bindingdb_1018653
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3C(F)(F)F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087298
+CS(=O)(=O)c1cc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@@H](c3ccc(F)cc3)C2)ccc1F,bindingdb_1004586
+CCCCCCOc1cc(C)c(C(=O)CCN(C)C)c(C)c1,CHEMBL549483
+CC(C)c1cc(Oc2c(I)cc(CC3NC(=O)NC3=O)cc2I)ccc1O,CHEMBL263630
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,bindingdb_760421
+CN(Cc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F,bindingdb_1018310
+CCC(CC)CN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830780
+Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)cc(C)c12,CHEMBL380717
+CC1(O)CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645690
+C[C@]12CCC(=O)C=C1C[C@@H](CCCc1ccc(OCCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL428021
+COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1,CHEMBL70005
+O=C(O)C(Sc1nc(Cl)cc(Nc2cccc(Cl)c2)n1)c1cccc2ccccc12,CHEMBL1089467
+CO[C@@](C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL222117
+COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O,CHEMBL228326
+Cc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1,bindingdb_539959
+C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F,CHEMBL42314
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@@H](O)C(N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647202
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)F,bindingdb_403146
+Cc1cc(Cc2[nH]c(=O)[nH]c2O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,bindingdb_965578
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1,CHEMBL3764546
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cn(C(F)F)nc1OCCO)C[C@H](CNC(=O)[C@@H]1C[C@@H]1C#N)O2)C(F)(F)F,bindingdb_645793
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CCn4ccnc4)CC3)cc2C1=O,bindingdb_1127551
+Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL594994
+CC(C)C(=O)NCC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647035
+O=C(O)c1cccc2nc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1017993
+COc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1,bindingdb_1000302
+Cc1nc[nH]c1C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645851
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1c(F)cccc1-3,CHEMBL337856
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Oc6ccc(N)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_401119
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cc(CF)nc5ccccc45)nc(OC4CCCC4)c3CC[C@H]12,bindingdb_653140
+CCCc1cc(SC(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC(CC)(C(=O)O)O2,CHEMBL192500
+Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1,bindingdb_112189
+Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)O,bindingdb_584141
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)cc12,bindingdb_18640
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1,CHEMBL3765360
+CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21,CHEMBL451835
+COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)c(F)cc2F)c1OC,CHEMBL397656
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCN(c5ccccc5OC)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263844
+O=C(Nc1ncccc1O)c1ccc(C(=O)c2ccccc2)cc1,bindingdb_1000325
+CN(C)c1ccc([C@H]2OC[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL563544
+CN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168600
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccncc3)C[C@H]1CCc1cc(O)ccc12,CHEMBL3421878
+NC(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1,CHEMBL3092207
+OC(c1ccc(F)cc1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1183050
+CC(C)[C@H]1c2ncc(C(=O)NCc3nnc4n3CCC4)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123915
+Cc1cccc(N2CCN([C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)C(=O)O)CC2)c1,CHEMBL1089177
+Cl/C=C(\c1ccc(Cl)cc1)c1ccccc1Cl,CHEMBL196239
+Cc1cccc(OCCCOc2ccc(CCC(=O)O)cc2)c1C,CHEMBL561006
+Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1,bindingdb_999644
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)c(F)c1,bindingdb_511814
+NC(=O)Cc1nnc(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)o1,bindingdb_645190
+Cc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2C)cc1,CHEMBL1075856
+Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1,bindingdb_584225
+CCCOc1ccc(C[C@@H](CC2CCCCC2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2158960
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nnn(-c3ccccc3)c2C(=O)O)c1,CHEMBL474548
+CC(=O)OCc1cc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2ccccc2n1,bindingdb_653373
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4cc[n+]([O-])cc4)c(F)c3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511793
+O=c1[nH]c2ccc(/C=C3\c4ccccc4COc4cc(F)ccc43)cc2[nH]1,CHEMBL3775714
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CCC(F)(F)F,bindingdb_651538
+OC1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)c(Cl)c21,CHEMBL3682518
+CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1,CHEMBL4208928
+C=C(c1ccccc1)[C@@]12CCCC[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765956
+CC12NC(Cc3ccccc31)c1ccccc12,bindingdb_1140089
+CC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O,CHEMBL3764795
+O=C(O)c1cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(OC2CC2)n1,bindingdb_1017378
+Cc1cc(OC/C=C\C(C#Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O,CHEMBL234903
+CCOC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)CC2CC(F)(F)F)nc1C,bindingdb_1131001
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCCOCCOCCOCCNC(=O)CCC6=[N+]7C(=Cc8c(C)cc(C)n8[B-]7(F)F)C=C6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4079654
+O=C(O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cn1,CHEMBL1668256
+CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3,CHEMBL65929
+CC1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cccc5ncccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652329
+Cc1nc(-c2ccc(Cl)cc2)sc1COC1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934471
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccnc(NS(C)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652932
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651669
+O=C(O)c1cc(C(F)(F)F)cc(C23CCC(COCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)c1,bindingdb_1018352
+CCCc1nc2ccccc2n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1,CHEMBL3947936
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(O)(C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_271170
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263600
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(NCC4CC4)cc3)C[C@@]21C,bindingdb_168398
+O=C(O)c1cc(F)c(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1017471
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccc(F)cc1-3,CHEMBL336736
+Nc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL226329
+CN1c2cc3c(cc2N=C(c2ccc(C(=O)O)cc2)c2ccc4ccccc4c21)C(C)(C)CCC3(C)C,CHEMBL298373
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,bindingdb_645103
+CCC1(CC)C(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL272663
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnc(NCC(N)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650978
+CS(=O)(=O)N1CCN(C2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_653186
+Cc1ccc(NC(=O)CCc2nnc(CCCC(C)(C)C)n2C2CC2)c(C)c1,CHEMBL3775443
+O=C(Nc1nnc(C2CCCCC2)s1)c1ccco1,bindingdb_108511
+CCCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL521462
+COS(=O)N1CC(CCNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_124029
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cnoc4c3)ccc21,CHEMBL223247
+C[C@@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL4101250
+Cc1c(OCCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401237
+C=CCc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL189303
+Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168455
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@@H](C(C)(C)O)O2,bindingdb_646827
+C=C1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652587
+CC(=O)Nc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4098909
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cccc(F)c3)c(F)c2)CC1,CHEMBL3581535
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(=O)CC)c(C)c1Cl,CHEMBL3640899
+CC(C)[C@H](C)C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1,bindingdb_652390
+Cc1cc(SC/C=C/C#Cc2ccccc2)ccc1OCC(=O)O,CHEMBL234910
+CNc1cccc(Cc2ccc([C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)c1,bindingdb_417513
+CC(C)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_403036
+Cc1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)cc1,bindingdb_108433
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)C([C@H](C)CCNS(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018166
+CCCCC12CCC(=O)C(c3ccccc3)=C1c1ccc(O)cc1C2,CHEMBL380469
+O=C(Nc1ccc(Cl)cc1)c1cnc2c(ncn2Cc2ccc(F)cc2)c1Cl,bindingdb_18628
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCc4c[nH]c5ccccc45)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018639
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCOCC1,bindingdb_647913
+Cc1cc(C(F)(F)F)cc2c1c(Cc1c(Cl)ccc(C(=O)N3CC[C@@H](C(=O)O)[C@@H](C)C3)c1Cl)cn2C,bindingdb_206723
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,CHEMBL3673689
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@H](O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183485
+Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O,CHEMBL237520
+CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(C2COC2)n1,CHEMBL3598299
+CC1(C(=O)N2Cc3cc(S(C)(=O)=O)ccc3C2C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)COC1,bindingdb_649827
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(NC(N)=O)cc1,bindingdb_653634
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)c(F)c3)cc12,CHEMBL3699380
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)(F)F)nc2)[C@H]3C(C)C)cc1,bindingdb_270839
+FC(F)(F)c1cccc(COc2cccc(-c3c(Cc4ccccc4)nnc4c(C(F)(F)F)cccc34)c2)c1Cl,CHEMBL561449
+Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,CHEMBL206336
+CC(C)C[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(C)(C)C,CHEMBL2426113
+CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,bindingdb_69287
+Cc1c(Oc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12,CHEMBL363805
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC3(S(=O)(=O)Cc4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC13)C2,bindingdb_649068
+COc1cc(CN(c2ncnc(NC[C@@H]3CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)ccc1C(F)(F)F,bindingdb_988938
+CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O,CHEMBL3613418
+CCN(Cc1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL214727
+Cc1ccc(C2=Nc3ccccc3N=C(C(Cl)Cl)C2)cc1,bindingdb_999559
+CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(Cl)c1,CHEMBL1947185
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C,CHEMBL3233277
+Cn1nc(F)c2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168464
+O=c1[nH]c(=O)c(Cc2ccccc2)c([C@H]2CC[C@H](c3ccccc3)CC2)[nH]1,CHEMBL2204038
+Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4s3)c(N)n(C3CCCCC3)c2c1=O,CHEMBL1326210
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC(CCO)O2,bindingdb_647075
+O=C(N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_646094
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc(Br)cc1,bindingdb_647827
+Cc1cc(O)ccc1-c1ccc2c(Cl)c(O)ccc2c1,CHEMBL191300
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1F,bindingdb_1184381
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)no1,bindingdb_1018378
+Oc1ccc(-c2cc(Br)c3cc(O)ccc3n2)cc1,CHEMBL198411
+O=C(C1CC(C(F)F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)OC2)c1cccc(-c2nc(C3CC3)no2)c1,bindingdb_1018396
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)C(C)(C)C)cn1,CHEMBL221923
+CCOc1ccc(-c2noc(COC)n2)cc1OC,bindingdb_672309
+COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCCN2CCC2)cc1,CHEMBL511269
+Cc1n[nH]c(C)c1CNC(=O)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651702
+O=C1[C@@H](c2ccc(O)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1,CHEMBL3360844
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)cc1,bindingdb_511722
+C[C@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL182404
+CC(C)c1nc2sc3c(O)nc(S)nc3c2c2c1CCCC2,CHEMBL1580962
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(Cl)c1,CHEMBL563181
+CC[C@H](NC(=O)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F,CHEMBL4129790
+O=S1(=O)[C@@H](c2ccccc2)CCCCN1Cc1cc(F)c(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_648363
+O=C1CN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CCN1,bindingdb_654060
+C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccccc2)cc1)CCC(=O)O,bindingdb_1002049
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)cc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_206267
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CCOCc2ccccc2)CC(=O)O)cc1,CHEMBL394968
+CC[C@@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1,bindingdb_1182955
+O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CCN1CCCC1)C2)c1cnn2cccnc12,bindingdb_1127419
+CCSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,bindingdb_961320
+CCCCC(Sc1ccc(OCCCOc2ccccc2C)cc1)C(=O)O,CHEMBL549723
+C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(F)cc1,CHEMBL3678094
+Cc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1,bindingdb_25327
+O=C(O)Cn1c(SCCOc2ccc3ccccc3c2)nc2ccccc21,CHEMBL2048021
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)c(C(=O)c3cccc(F)c3)s2)cc1,CHEMBL3105672
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)s1,CHEMBL4129202
+CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(C(=O)O)n1C,CHEMBL4226403
+CN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1,CHEMBL153395
+CCOC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)N=C1C,CHEMBL377295
+CN(c1ccc(/C=C/C(=O)O)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL4069258
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)n2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654859
+Cc1ccc(C2=CCC(C)(C)c3cc(C(O)/C=C/c4ccc(C(=O)O)cc4)ccc32)cc1,CHEMBL1783648
+O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Cl,CHEMBL525772
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)C(C)C3)c1Cl)n2C,bindingdb_206353
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H]3CCC[C@H]3C#N)c2=O)nc1,bindingdb_653010
+CCOC(=O)[C@@H](C)C[C@H]1CN(S(=O)(=O)c2c(OC)nn(C)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648998
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1F,bindingdb_1183552
+C[C@@H]1CN(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC[C@@H]1n1cnnc1,bindingdb_646614
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1,CHEMBL489075
+Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2,CHEMBL305298
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)cc1,bindingdb_1127401
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@@H](CNC(=O)C(C)(C)O)[C@H]2C)c(OCCO)n1,bindingdb_645092
+COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl,CHEMBL1467271
+CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1C2c1cccs1,CHEMBL1469332
+CO[C@@H](Cc1ccc(OCCc2nc(-c3cc(C)cc(C)c3)oc2C)c2ccsc12)C(=O)O,CHEMBL484138
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC4(C2)CN(c2ncccn2)C4)C3)CC1,bindingdb_646044
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2C#N)C3)cc2ccccc21,bindingdb_1000169
+O=C(Nc1ccc(N2CCCC2)cc1)C(Cl)c1ccccc1,CHEMBL1575022
+CCCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830777
+Cc1c(S(=O)(=O)N2C[C@H](CNC(=O)C(C)(C)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cnn1C1CC1,bindingdb_645144
+N#CCC(=O)N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_649026
+O=C(O)CC1COc2cc(OCCCOc3ccccc3)ccc21,CHEMBL4284280
+Cc1cc(SCc2nn(-c3ccc(Cl)c(Cl)c3)nc2C)ccc1OCC(=O)O,CHEMBL3953040
+COc1cccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)c1,CHEMBL1606317
+Cc1cc(-c2noc3cc(O)ccc23)c(O)cc1O,CHEMBL186597
+CCOC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL436113
+CCn1nc(C(=O)NC[C@]2(C(N)=O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183878
+O=C(O)c1cc(F)c(-c2nn(Cc3ccccc3)c3cccc(F)c23)cc1O,bindingdb_649567
+CC1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1,bindingdb_1000120
+N#Cc1ccc(-c2ccccc2OCC(=O)O)cc1C(F)(F)F,CHEMBL445409
+CSc1nccc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)n1,bindingdb_649367
+CC1SC(C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O,bindingdb_1748
+Cc1cc2c(=Cc3ccc(N(C)C)cc3)c3ccccc3n2[n+]1C,bindingdb_539955
+Cc1nc(CN2CCN(c3nc(NCCc4ccc(O)cc4)nc(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cs1,CHEMBL434502
+O=C(Cc1cccnc1)N[C@H]1CC[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_648777
+COc1cc(OC)cc(-c2nnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)[nH]2)c1,CHEMBL3234854
+Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,CHEMBL2338329
+CC(=O)NC12CCC(C(=O)N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)(CC1)CC2,bindingdb_652227
+O=C(O)c1ccc2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017600
+CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL2203821
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2C(F)(F)F)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146579
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)N(CC2CCOCC2)C(=O)CS3)cc1,bindingdb_54913
+CC1(C)CN(Cc2ccncc2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830949
+Cn1nnc(/C=C/c2ccc(Oc3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)n1,CHEMBL4087929
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,CHEMBL46740
+O=C(Oc1ccc2ccc(O)cc2c1)c1ccccc1Cl,CHEMBL1348802
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(OCCNCCCF)cn2)N1CC(F)(F)CO,bindingdb_403764
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(CCS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653780
+CN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1,CHEMBL192187
+c1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1,CHEMBL1393548
+COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL6
+O=c1[nH]cnc2nc(-c3ccc(N(CCCl)CCCl)cc3)[nH]c12,bindingdb_55746
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC4NC(=O)NC4=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4165268
+Cc1cc(-c2cnn(CCC(N)=O)c2)nc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)c1,bindingdb_653336
+Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C,CHEMBL4207122
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184020
+O=C(O)C12CCC(C(=O)N3CCCC4(S(=O)(=O)c5ccccc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_651489
+CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)CC1,bindingdb_375335
+CC(CCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O,CHEMBL3895104
+COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(-c4ccc(OC(C)C)nc4)nc3Oc3c(F)cccc32)cc1,bindingdb_1054353
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CC(C(F)(F)F)C1,bindingdb_653855
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](C)C(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018212
+O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCOCC1,CHEMBL1321701
+O=C(Nc1ccncc1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646538
+CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645825
+O=C(O)c1ccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CO4)n2)cc1,bindingdb_1019015
+C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL125425
+Oc1ccc2c(c1)CCCC(c1ccc3c(c1)OC(F)(F)O3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403068
+CCOC(Cc1ccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c(C)c1)C(=O)O,bindingdb_988826
+COc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c(OC)c1,bindingdb_292661
+CN(CCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2o1,CHEMBL337973
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(C)c1)Oc1ccccc1-3,CHEMBL344048
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCO2)cn1,CHEMBL221123
+COc1cc(NC(=O)c2ccc(-c3ccccc3-c3cccs3)c(CO)c2)ccc1S(N)(=O)=O,CHEMBL4075017
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(C(F)F)c3)C2)CC1,bindingdb_653600
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(Cc4ccccc4)oc3C)ccc21,CHEMBL381891
+C[C@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL183049
+CCN(C(=O)c1coc(C(C)(C)O)n1)[C@H](C)[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_652388
+CC(c1nccs1)N(C)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1,bindingdb_672326
+CC(=O)Nc1ccc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654085
+C[C@@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1,CHEMBL3640876
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1cccc(C(F)(F)F)c1)c1c(F)cccc1Cl,bindingdb_998083
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(Cl)c3)cs2)cc1,CHEMBL4161408
+COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1,bindingdb_953906
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccc(Br)cc3)C2)c1,bindingdb_999971
+O=C(NC(=S)Nc1ccc(Br)cn1)c1cccs1,bindingdb_999566
+CCCC(=O)Oc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL3775224
+C/C(=N/NC(=O)c1cc2ccccc2cc1O)C1C(=O)c2ccccc2C1=O,CHEMBL1990772
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1,bindingdb_27822
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649883
+Cc1ccccc1-c1nc(-c2cccnc2)no1,bindingdb_91249
+CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S,bindingdb_672540
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CC2C)c(Cl)c1,CHEMBL563943
+CCC(NC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1,CHEMBL3678104
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)F,bindingdb_1183814
+CC(C)c1cc(Oc2c(Br)cc(CCP(=O)(O)O)cc2Br)ccc1O,CHEMBL486359
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@]23CCOC3)cc1F,CHEMBL3589381
+O=C(Nc1cnccn1)c1cccc(C(F)(F)F)c1,bindingdb_112271
+CCCCCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018076
+Cc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1O[C@H](c1ccccc1)[C@@H](NC(=O)C(C)(F)F)C(C)C,bindingdb_417264
+CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1,CHEMBL1599140
+CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1,CHEMBL3961452
+CC[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,CHEMBL190603
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC1(C2CCCO2)NC(=O)NC1=O,bindingdb_654893
+CCn1c(CCCc2ccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264931
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2c(OCc3ccccc3)cccc21,bindingdb_107876
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3cccc(Cl)c3)C[C@@]21C,CHEMBL3907029
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@@H](C)CC(F)(F)F)cc1OC(F)F,bindingdb_1183353
+O=C(O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_651322
+CCCCC(Sc1nc(OCCCCc2ccccc2)cc(OCCCCc2ccccc2)n1)C(=O)O,CHEMBL1172016
+Cc1c(NC(=O)c2cc(Cl)ccc2F)cnc2c1c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C,bindingdb_645142
+Cc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1,bindingdb_1004923
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(C(F)(F)F)cc3)ccc21,CHEMBL220422
+CCOC(CC)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,CHEMBL218950
+COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,bindingdb_55621
+COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC,bindingdb_122670
+CC(O)(C(=O)Nc1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2Cl)cc1Cl)C(F)(F)F,CHEMBL495020
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(C)C3)c1Cl)n2C,bindingdb_206504
+CC(Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CCC1,bindingdb_1184027
+CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1,bindingdb_982671
+O=C(NC1CCC(F)(F)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649182
+O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccco2)cc1)C1CC1,CHEMBL4217067
+C=C[C@]12CCC(C)=CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL398456
+CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(OC)cc2)cc1,bindingdb_831088
+Cc1nn(-c2ccc(I)cc2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_417783
+O=C(O)c1cc(O)c(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1O,bindingdb_646968
+COC(=O)c1cccc(OCc2oc(-c3ccccc3OC)nc2C)c1,CHEMBL4202476
+CNC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21,bindingdb_80768
+CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)OCCN2CCOCC2)cc1,bindingdb_403897
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCC[C@H]1c1cccnc1,bindingdb_647900
+CC(C)(C)OC(=O)N1C[C@@H](c2ccc(C(C)(O)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1,bindingdb_650054
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)C4CCCCC4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263824
+CCC[N+](CCC)=C1C=C(N2CCCC2)CC(C)(C)C1,bindingdb_539913
+CCOC(=O)c1csc(-c2sccc2Br)n1,bindingdb_999753
+C[C@H](CCNC(=O)OC1C2CC3CC(C2)CC1C3)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138089
+COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3699352
+CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)c2c1[nH]c1ccccc21,CHEMBL507745
+CC(C)CN(Cc1ccc(-c2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3264011
+COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,CHEMBL3964680
+CCC(=O)c1cc(Cl)c(OC(C(=O)O)c2ccccc2)c(Cl)c1,CHEMBL366220
+COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C(C)=O,bindingdb_356187
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(CN(C)C)c3)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105679
+COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCOCC1,bindingdb_54883
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@H](C)c4cnc(C(F)(F)F)nc4)CC2)O[C@@H](C)C3)cc1,bindingdb_126502
+O=C(Nc1cc(Cl)c(Oc2cc(C34CC(C3)C4)c(=O)[nH]n2)c(Cl)c1)c1noc(=O)[nH]1,bindingdb_965684
+COc1ccccc1/C=C/C(=O)c1ccccc1O,CHEMBL594854
+COc1cc(/C=C\c2ccc(F)cc2)cc(OC)c1,CHEMBL369262
+CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CO2)=C\C(=O)O,CHEMBL340495
+CCC/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL65014
+Cc1nn(C)c(C)c1CN(Cc1nc(CCC(C)C)no1)C(C)C,bindingdb_539905
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(C(F)(F)F)cc2)C1=O,CHEMBL3590262
+CN(Cc1cccc(F)c1)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2349028
+CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL2112216
+CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccccc1,CHEMBL2337794
+CCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL593473
+Cn1cc(C(=O)O)c2ccc(OCC34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)cc21,bindingdb_1018612
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,DB00304
+Cc1nn(Cc2ncco2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168535
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3Cc4ccccc4C3)CC2)cc1[N+](=O)[O-],CHEMBL2349057
+CC(C)c1ncn(CCc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL3357419
+CC(CO)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_645721
+Cc1cc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)ccn1,bindingdb_652009
+CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647845
+C[C@]12CCC(=O)C=C1C[C@@H](CCCCc1cccc(OCCCC(=O)O)c1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL235871
+Cc1cccc(S(=O)(=O)N2C[C@H](NC(=O)[C@H](C)O)Cc3ncc(NC(=O)c4c(Cl)cccc4Cl)cc32)c1,bindingdb_998280
+COc1cc(NCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_402937
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(C)C)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646330
+C[C@@H]1CN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C[C@H](C)O1,bindingdb_648311
+O=C(O)c1cc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(NC2CC2)n1,bindingdb_1017475
+COC1CC(C(=O)N(CC23CCC(c4noc(C(C)(C)C)n4)(CC2)CC3)c2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2)C1,bindingdb_1019094
+CCc1sc(N2CCOCC2)nc1-c1ccccc1,CHEMBL3323482
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(=N)N)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL590586
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c(F)c2)CC1,bindingdb_653887
+O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2c(c1)OCCO2,bindingdb_1728
+CC1(C)[C@@H](NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC[C@]1(C)O,bindingdb_653726
+CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)[O-],bindingdb_1114873
+CCC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,CHEMBL564036
+Cc1cc(NC(=O)c2noc(=O)[nH]2)cc(C)c1Oc1cc(C(C)C)c(=O)[nH]n1,bindingdb_965543
+O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)nc2)nc2cc(F)c(F)cc21,CHEMBL1668260
+COc1ccc(C(=O)O)cc1NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1,CHEMBL3335657
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cc[nH]n1,bindingdb_652122
+CCn1c(Oc2ccc(C(F)(F)F)cc2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206426
+CC1(C)[C@H]2CC[C@]1(c1ccnc(N3CCN(CCS(C)(=O)=O)CC3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653105
+Cc1cc2onc(-c3ccccc3)c2c(=O)n1C,CHEMBL247263
+CCn1c(CC2CCC(C(F)(F)F)CC2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_270736
+Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12,CHEMBL1597933
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)cc1,CHEMBL395191
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1,bindingdb_402778
+COc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,CHEMBL1984703
+Oc1cc(/C=C\F)c2oc(-c3ccc(O)c(F)c3)nc2c1,CHEMBL186643
+CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3OC)CC2)cc1)C(=O)O,CHEMBL491606
+COc1ccc(C(=O)O)c2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc12,bindingdb_1017895
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)cc1,bindingdb_1017852
+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL497207
+CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270724
+CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1,CHEMBL1299346
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC1CCS(=O)(=O)C1,bindingdb_646640
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC4(CCOC4)CC3)c1Cl)n2C,bindingdb_206331
+COc1ccccc1C1CC(c2ccc(Br)cc2)=Nc2nc(NS(C)(=O)=O)nn21,bindingdb_34100
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3c(Cl)cccc3Cl)(C(F)(F)F)C(F)(F)F)cc2)CC[C@H](O)C1,bindingdb_649044
+CC(C)n1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21,CHEMBL386502
+Cc1nn(-c2nnc(NC3CCCCC3)nn2)c(C)c1Br,bindingdb_1000271
+Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl,CHEMBL3765823
+CCCC12CCC(=O)C(Br)=C1c1ccc3[nH]nnc3c1C2,CHEMBL213070
+O=C(N[C@H]1CC[C@H](Oc2ccnc3ccccc23)CC1)c1cccc(F)c1,bindingdb_475734
+NCCOc1ccc(/C(=C(\Cn2cnnc2)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3422044
+Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(OCC(=O)O)cc1,CHEMBL416794
+CCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S,bindingdb_598408
+COc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1,CHEMBL1424022
+Cc1c(NC(=O)c2cccc(C#N)c2)ccc2c1c(C1CCN(C(=O)C3CCCC3)CC1)cn2C,CHEMBL4290728
+COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(O)n2)c1,CHEMBL1331729
+Cc1cc2c(cc1C)NP(=S)(c1ccccc1)N2,bindingdb_999884
+CC(C)(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1,CHEMBL3781118
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183082
+O=C(Oc1cccc2c(O)cccc12)C1CCCCC1,CHEMBL2071171
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)c(Cl)c3)ccc21,bindingdb_1054240
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3CC(C)C)cc1,bindingdb_270654
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCSCC3)cc2)cc1,CHEMBL362718
+CCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3586190
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(O)c1Cl)n2C,bindingdb_651738
+Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)Nc2cc(C)cc3c2cnn3-c2ccc(F)cc2)c(C)c1,CHEMBL1668065
+Nc1nc(-c2cc(Br)cc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4226645
+CC[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)OC1,bindingdb_271051
+CN1C[C@H]2[C@H](C(=O)NCC(C)(C)O)CC[C@@]2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_650618
+C[C@@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL182402
+Cc1c(/N=C2\OC[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL520174
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2ccccc2s1,bindingdb_1130906
+FC(F)(F)c1cccc2c(-c3cccc(NCc4cccc5cc[nH]c45)c3)c(Cc3ccccc3)cnc12,CHEMBL549892
+CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-],CHEMBL1467399
+O=C(O)C(O)c1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1Cl,bindingdb_648695
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@@](C)=O)c2)cc1,bindingdb_652428
+CC1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)CC1,bindingdb_650002
+O=C(Nc1nc2ccccc2[nH]1)Nc1ccccc1F,bindingdb_672672
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184247
+Cc1cc2c(cc1Sc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,CHEMBL118693
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)COC1,bindingdb_647463
+Cc1cn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12,CHEMBL3695856
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(CSc6cccc(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417256
+Cn1c(SC2=CS(=O)(=O)c3ccccc32)nc2ccccc21,bindingdb_584508
+C[C@](O)(COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1074195
+C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649266
+CCCc1c(OCCCN(C)c2ccc(C(=O)O)cc2)ccc2c(C(F)(F)F)noc12,CHEMBL207142
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)CC2CC(F)(F)F)ncc1C(C)(C)O,bindingdb_1131049
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934310
+COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1,bindingdb_760544
+CCO[C@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)NOC,bindingdb_88909
+CC(C)N(Cc1ccco1)C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1,CHEMBL3318058
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(N)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695796
+CCNS(=O)(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,CHEMBL3764542
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)cc12,CHEMBL3699431
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cncnc2)cc1,CHEMBL2377532
+Cc1cc(NC(=O)CC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,CHEMBL2035875
+COc1ccc(OCCNC(=O)C2(C)CCN2Cc2ccc3ccccc3c2)cc1,bindingdb_292535
+N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CHEMBL39176
+O=C(O)c1ccc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)cc3Cl)C2)nc1,bindingdb_1018868
+CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1,CHEMBL2346976
+C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCCC(=O)NO)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL3735106
+O=C(C1CC(O)(C(F)(F)F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1,bindingdb_1017976
+CCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1,CHEMBL1580991
+CCn1c(OCc2ccc(C(F)(F)F)cc2)nc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206421
+Cc1nc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=Cc6c(cnn6C6CCCCC6)C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)sc1C,CHEMBL2022865
+c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)nc1,CHEMBL1377708
+Cc1cc(C(=O)NCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018863
+CCS(=O)(=O)N1CC2(CC(CNc3nc4cnc(-c5c(C)ncnc5C5CC5)nc4n([C@@H](C)C4CC4)c3=O)C2)C1,bindingdb_650934
+O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1,CHEMBL1565816
+CS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n(C3CC3)c2=O)cc1,bindingdb_646281
+Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c(Cl)cc1OCC(=O)O,CHEMBL391478
+CN(C)[C@H]1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C[C@@H]1F,bindingdb_646694
+CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1,bindingdb_652994
+CCCCCOc1nc2ccccc2cc1C(O)C/C=C\CCCC(=O)OC,CHEMBL2113106
+C[C@](O)(Cn1cc(C(F)(F)F)cn1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1,bindingdb_475714
+CC(C)(CC(O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O,CHEMBL1257342
+O=S1(=O)[C@@H](c2ccccc2)CC[C@H](C(F)(F)F)N1Cc1cc(F)c(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_649686
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(C)cs2)cc1,CHEMBL3105694
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CO)c(CO)o3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653923
+Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075706
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nc3ncccn23)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654778
+Oc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1,CHEMBL193146
+COC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1,CHEMBL495197
+CN(C)C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)c2cc(NC(=O)OCC(C)(C)C)ccc2O1,bindingdb_649486
+COC(=O)/C=C/c1cc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)ccn1,bindingdb_1018803
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(F)cc3F)cs2)n1)C(=O)O,CHEMBL3094416
+CCN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1,CHEMBL4075210
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC(O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184282
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2OC(F)(F)F)s1,bindingdb_645997
+CCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21,CHEMBL479747
+CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL16690
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccn(C[C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651274
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)Cc1ccncc1,bindingdb_653801
+O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCC4)ccc3[nH]2)cc1)c1ccccc1Cl,CHEMBL424715
+N#Cc1cccc2c(O[C@H]3CC[C@H](NC(=O)c4ccc(F)c(F)c4)CC3)ccnc12,bindingdb_476006
+Cc1cccc(S(=O)(=O)N2CC(N(C)C)COc3ncc(NC(=O)c4c(Cl)cccc4Cl)cc32)c1,bindingdb_998285
+CC(C)(CC(O)(Cc1cc2ccc(C#N)cc2[nH]1)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2,CHEMBL1911662
+Cn1cncc1[C@@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC(F)(F)F)c(Cl)c2c1,bindingdb_650164
+CCOC(=O)N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998250
+CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3OC(F)(F)F)c(Cl)c2)cc1,CHEMBL3609414
+Oc1nc2c(s1)C=Nc1ccccc1N2,CHEMBL1401891
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4ccc(Cl)nc34)c(N3CCOCC3)cc2C1=O,bindingdb_1127357
+Cc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c1C,bindingdb_402394
+CC(=N)C(C#N)C(=O)CSc1nnc(COc2ccccc2Cl)o1,bindingdb_403838
+O=C(O)COc1ccc(SCc2ccc(OCc3ccc(F)cc3)cc2)c2c1CCC2,CHEMBL232399
+Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N[C@H]3CC[C@@H](O)CC3)c1Cl)n2C,bindingdb_647031
+CN(C)c1ccc(/N=N/c2nccs2)cc1,bindingdb_999635
+O=C(O)CCc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1,CHEMBL204057
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ncc(NC(C)=O)cc1C,CHEMBL2024617
+Clc1ccc(CN(Cc2cccnc2)Cc2sccc2-n2cccc2)cc1,CHEMBL2381211
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccc(F)cc2)C3)cc2ccccc21,bindingdb_1004516
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1F,CHEMBL4169457
+Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1,bindingdb_830975
+C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1,CHEMBL512490
+Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CCCn3ccnc3)c2C)cc1,CHEMBL1559172
+CC1(C)OCC(=O)Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21,CHEMBL519581
+COc1cccc(/C=N/c2ccc(C)cc2)c1O,DB13869
+CN1CCN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1=O,bindingdb_647105
+Cn1cncc1[C@@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC3CC3)c(Cl)c2c1,bindingdb_651997
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183035
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988996
+CCOC(=O)Cc1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_80769
+CCOc1nc(C(=O)O)cc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018948
+CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1,bindingdb_831643
+O=S(=O)(c1ccccc1)N(CC(O)CN1CCCCC1)c1ccccc1,CHEMBL1617429
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccc(F)cc3)c(F)c2)cc1,CHEMBL4290041
+O=C1C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1,CHEMBL278936
+CN(C(=O)OCc1ccccc1)[C@]12CC[C@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_650961
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)cc2c(F)cc(C3CC3)cc21,bindingdb_206619
+C[C@]1(CO)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@H]5COC(=O)C5=CC[C@H]4[C@]3(C)CC[C@@H]12,CHEMBL438521
+CC(Sc1nc2ccc(Br)cc2s1)C(=O)O,CHEMBL575316
+COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(=O)O)c1OC,bindingdb_91294
+COc1ccc2c(c1)sc1nc(-c3ccccc3)cn12,bindingdb_583987
+Cn1c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,CHEMBL495889
+COc1ccc(-n2nc(C)c(CSc3ccc(OCC(=O)O)c(C)c3)n2)cc1,CHEMBL3958122
+OC1=c2ccccc2=C(O)C12N=Nc1nnc(S)n1N2,CHEMBL1530368
+COc1cccc(NC(S)=Nc2cc(C)cc(C)n2)c1,CHEMBL1379684
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ccccc5)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263582
+CC(C)CCON=C(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3787653
+CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,DB05928
+Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1,bindingdb_584098
+CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361035
+CC1(C)CCC(C)(C)c2cc3c(cc21)Sc1ccccc1N=C3c1ccc(C(=O)O)cc1,CHEMBL337859
+CCOC(=O)NCC1(O)CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653681
+COc1cncc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1,bindingdb_652449
+c1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC(C4)CC3C5)cc2)cc1,CHEMBL3103437
+Cc1cc(C#N)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C4COC4)CC3)c1Cl)n2C,bindingdb_206237
+CC(C)(C#N)c1ccc(C23CCC(C=Cc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)(CC2)CO3)cc1,bindingdb_1018331
+NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccsc1,CHEMBL1611750
+C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1n[nH]c2c1COCC2,bindingdb_475634
+CC1(O)CCN(C(=O)[C@@H]2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652277
+O=C(O)CCc1cc(Br)c(OCc2ccccc2)c(Br)c1,CHEMBL402713
+O=C(/C=C(/NCCO)C(F)(F)F)c1ccc(Cl)cc1,CHEMBL3191473
+COc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC2(C)C,CHEMBL111589
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(Cc3ccc(F)cc3)c1)CCC2,CHEMBL2312281
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1,CHEMBL591539
+O=C(O)[C@H](Cc1ccccc1)Oc1cccc(C(F)(F)F)c1,CHEMBL1956360
+CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12,CHEMBL1778839
+Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1C,bindingdb_1026201
+CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCO,DB04752
+O=C(N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1,bindingdb_651584
+NC(=O)c1cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c(F)cc1F,CHEMBL3596598
+CCOc1ccc(C2c3nnnn3CCN2Cc2cn(-c3ccccc3)nc2C(C)C)cc1,bindingdb_648085
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(N)COC1)O2)C(F)(F)F,bindingdb_646399
+CCc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1C#N,bindingdb_112204
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)ccc2C#N)N1CC(F)(F)F,bindingdb_401698
+Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1,CHEMBL1349382
+Cc1cc(Cl)c2oc(C(=O)N(C)C3CCOC3)c(C)c2c1,bindingdb_55641
+Cc1cc(SC(c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C(c2ccccc2)c2ccccc2)ccc1OCC(=O)O,CHEMBL2035067
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(C(F)(F)F)CC1)O2)C(F)(F)F,bindingdb_646531
+CC(C)(O)C(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645877
+COCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_168459
+CN1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2348883
+COCCNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C,bindingdb_999926
+OCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1,CHEMBL1460155
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CC1,bindingdb_652344
+CCS(=O)(=O)c1ccc([C@H](CCO)NC(=O)c2ccc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206276
+O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccccc2)cc1,CHEMBL128052
+CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12,CHEMBL20066
+COc1ccc(CCC(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL229888
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCCCCCC(=O)OC)cc3)C[C@@]21C,CHEMBL450052
+CC(=O)N1CCC(C(=O)NC[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_647442
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc5c(c4)OCCO5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263578
+Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1,CHEMBL2237300
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ncn(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653643
+O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2ccc(O)cc21,CHEMBL192586
+CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3cc(Br)ccc32)cc1)C(=O)O,CHEMBL167430
+Cc1ccc(Cl)c2oc(-c3nc(-c4ccc(C(=O)O)cc4Cl)no3)cc12,bindingdb_965520
+COc1cccc(C(=O)O[N-]C(=[NH2+])c2ccc([N+](=O)[O-])cc2)c1,bindingdb_91213
+c1nnnn1C12CC3CC(CC(C3)C1)C2,CHEMBL606116
+Cc1cc(C(F)(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_401945
+C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OC[C@H](C)N3CCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL360315
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3C(C)C)s2)cc1,CHEMBL4160934
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C4(O)CCC4)c(F)n3)C2)cc1Cl,bindingdb_475637
+CC(C)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_830896
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C4CC4)cc3)C[C@@]21C,bindingdb_168471
+CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426663
+O=C(NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL252675
+COCCCN(C)C(=O)c1cnc(N2CCN(c3cc(F)c(CO)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130723
+CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cocn2)c1,CHEMBL241298
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(CC(N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647915
+COC(=O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3(C)CC3)C4)sc2c1,bindingdb_1018003
+CC(C)CCN1C[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)C1,CHEMBL4202463
+COC(=O)C1C(=CN2CCCc3ccccc32)NC(=O)NC1c1ccc(F)cc1,bindingdb_760445
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1c(F)cc(CC(O)(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_1183343
+COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2coc(-c3ccc(C)cc3)n2)c1,CHEMBL1087587
+O=C(c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL178679
+CC(C)C1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1,CHEMBL163833
+O=C(O)C(Cc1ccccc1)Oc1ccccc1C(F)(F)F,CHEMBL1956361
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@H](O)C(N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648257
+CC(C)[C@H]1c2ncc(C(=O)NCCc3ccccn3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123911
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CC[C@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183180
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(F)c(F)c1,bindingdb_654428
+CC(=O)N1C[C@H](C(=O)Nc2ccc(C)cc2C)[C@@H](c2nnc([C@H]3C[C@@H](CC(C)C)C3)n2C2CC2)C1,CHEMBL3774855
+Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)nc1,bindingdb_672334
+COc1c(Br)c(O)c(Br)c2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL364551
+C[C@H](O)[C@@H](C)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1,bindingdb_1184177
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@H]2CCCCC2(F)F)cc1C(F)(F)F,bindingdb_1182835
+CCCCCNC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL499630
+CC(C)[C@H]1c2cc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,bindingdb_1130719
+Cc1cn(C)c(-c2cc3c(c4c2CCC4)NC(C)(C)C(=O)C3(C)C)n1,CHEMBL3582118
+O=C(O)CN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2CO)cc1)C(=O)Oc1ccc(O)cc1,CHEMBL254347
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C#N,bindingdb_206375
+Cc1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)o1,bindingdb_401631
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)N4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018106
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649268
+CC(=O)N1CCC(C(N)=O)(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646915
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H](C)[C@@H](C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183564
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5noc(C6(C)CC6)n5)c4)(CC2)CC3)n1,bindingdb_1017482
+Cc1cc(SC(Cc2ccccc2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O,CHEMBL4245943
+CNc1ccc(Cc2ccc([C@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)cc1,bindingdb_417533
+Cc1ccc(C(NC(=O)Cc2ccc(N(CC(=O)O)Cc3c(C)noc3C)cc2)c2ccccc2)cc1,CHEMBL3314028
+CN(C)C(C)(C)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646698
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CC[C@H](O)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55078
+Cn1c(C#N)ccc1-c1ccc(NS(C)(=O)=O)cc1,CHEMBL2203819
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183117
+CCc1ccc(NC(=O)N2CCc3ccccc3C2)cc1,bindingdb_55666
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3)cc2)Cc2cccc(F)c2)c(Br)c1,CHEMBL2087284
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H](C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_646247
+CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401549
+CO[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2n1[C@H](C(=O)NC1CCCCC1)C1CCCCC1,bindingdb_846240
+Cc1ccc(SC(=O)c2c(C)noc2-c2cc(C)on2)cc1,CHEMBL1445606
+COc1ccc(C(CC(=O)N2CCCC(C)C2)c2ccc3c(c2)OCO3)c(O)c1,CHEMBL2326410
+Cn1cnc(-c2ccc3c(-c4ccc(C(=O)O)cc4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)c1,bindingdb_654772
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL218687
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCCC(=O)OC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018013
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_271152
+CCC1=C(c2ccc(O)cc2)Cc2cc(O)ccc21,CHEMBL69408
+CN(C)CCOc1ccc(C(=C(C#N)c2cccs2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3914943
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1(CO)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651440
+O=C(NCC(O)CO)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596605
+CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,CHEMBL282686
+C[C@@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)F,bindingdb_645484
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cc1F,bindingdb_511832
+O=C(O)c1cc(C(F)(F)F)c2cc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017899
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(Br)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_650333
+N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O,CHEMBL1322274
+O=C(O)c1c(F)c(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)nn1CC1CC1,bindingdb_1017826
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(S(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653896
+COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3nc(C)ccc23)cc1,CHEMBL510180
+C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COc4ccc(N)cc4)[C@H]3C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,bindingdb_168521
+CCC[C@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21,bindingdb_647077
+O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,CHEMBL4297613
+CCCS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3933196
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(Cc3ccc(F)cc3)C2)cc1,CHEMBL270588
+C=C1[C@H](O)CC(=C/C=C/CCC[C@@H](C)CCCC(C)(C)O)C[C@H]1O,CHEMBL456003
+CC(C)C(=O)N1CCC(CN2c3ccccc3N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)CC1,CHEMBL3402137
+CC(C)CN(c1ccc(C(O)(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070356
+S=C1N(CCCC[C@H]2CNC(CC3CCCCC3)=N2)C[C@H](Cc2ccccc2)N1CCc1ccccc1,CHEMBL4096280
+CCCCCCOc1ccc(C(=O)CCN2CC2C)cc1,CHEMBL562250
+CCCCCCCOc1ccc(O)cc1,CHEMBL193558
+COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2,CHEMBL1766973
+COc1cccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)c1,CHEMBL4286980
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5ccnc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018898
+COc1nc2ccc([C@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C1CCOCC1,bindingdb_54888
+CCS(=O)(=O)c1ccc(C(NC(C)=O)C(=O)Nc2cc(-c3cc(C#N)cc(F)c3OC)cs2)cc1,CHEMBL4168496
+CC[C@@]12CCC(=O)C(Cl)=C1c1ccc3[nH]ncc3c1C2=O,CHEMBL377254
+CC1(Cc2ccccc2)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL280121
+C[C@H](N)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_402722
+Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1,bindingdb_584414
+NC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCOCC1,bindingdb_650365
+COc1cc(C=c2sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)=O,bindingdb_401152
+Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1,CHEMBL1511524
+CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3)cn2)CCO1,bindingdb_558653
+Cc1nc(CN2Cc3sc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)nc3[C@@H]2C(C)C)ccc1Cl,bindingdb_270865
+COc1ccccc1/C=C/C(=O)c1cccc(O)c1,CHEMBL4067658
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(-c4ccccc4)c3)C2)CC1,bindingdb_654228
+CCC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL6843
+CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(C(=O)OCC)n1C,CHEMBL4225619
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)Cc1ccc(F)cc1F,bindingdb_654284
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(OS(C)(=O)=O)cc2)c1)C(=O)O,CHEMBL482823
+NC(=O)CN1CC[C@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1,bindingdb_988922
+O=C(Nc1nccs1)c1ccc2nccnc2c1,CHEMBL1509357
+CC(C)c1cc(Oc2c(Cl)cc(CCC(=O)O)cc2Cl)ccc1O,CHEMBL418432
+Cc1c(-c2ccc(Cl)cc2)cccc1N(CC1CCC1)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760407
+O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1464539
+O=S(=O)(c1ccccc1)N1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL205937
+CN1C(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C,CHEMBL1099140
+c1ccc2c(c1)COc1c3cc4c(cc3nn1-2)OCO4,bindingdb_1000241
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccnc23)c(F)c1,bindingdb_654955
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(c2ncc(CO)c(C(F)(F)F)n2)[C@H]3C(C)C)cc1,bindingdb_54927
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(Cl)c2)c1,CHEMBL4161797
+CN(c1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070348
+Oc1ccc2c(c1)CCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403531
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2C[C@H](O)C[C@H](O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F,bindingdb_645042
+O=c1c2ccccc2oc2cc(C#CC3(O)CCCCC3)ccc12,bindingdb_35512
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206413
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NC4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018698
+CCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042803
+COc1ccc(-c2nc(COc3cccc(OCC(=O)O)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1079981
+Cc1ccn2c(c1)nc(=S)n2C(=O)c1ccccc1,bindingdb_69167
+O=C(O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)c3c(F)cccc32)cc1O,bindingdb_206221
+CC[C@H]1CC[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,CHEMBL384708
+CCCc1nc2cc(-c3ccc(OC)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4096160
+CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C,CHEMBL361245
+CC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)nc1C(F)(F)F,CHEMBL3673668
+O=[N+]([O-])c1cccc(-c2ccc3nc(O)sc3c2)c1,CHEMBL315445
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(N3CCNCC3)cc2)cc1,CHEMBL332625
+COc1ccc(CC(C)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL229785
+O=C(CC1CCOCC1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_652153
+Cc1cc(C(C)(C)C)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_402446
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(CS(C)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647336
+O=C(O)c1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846244
+CC(C)[C@@H]1CN(c2ccc(Cl)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,bindingdb_1130877
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCC#N)C2)cc1,CHEMBL411852
+CN1CCC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1=O,bindingdb_654722
+Cc1cc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2c1,bindingdb_1705
+Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)s1,CHEMBL1496978
+CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3,CHEMBL569630
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1,CHEMBL219824
+Cc1ccc(C)n1-c1sccc1C(=O)O,CHEMBL1504655
+CC1(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)COC(=O)N1,bindingdb_653883
+CC1(C)CCC(C)(C)c2nc(-c3cc(-c4ccc(C(=O)O)cc4)co3)cnc21,CHEMBL131925
+O=C(O)c1ccc(C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)nc1,bindingdb_1017431
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccc(F)nc2)c(C)c1,CHEMBL3261408
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncc(C)o1,bindingdb_652852
+O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cn(-c2ccccc2)nc1-c1cccnc1,CHEMBL3264629
+COc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@H](C)C(C)(C)C)CC4)cn3C)c2C)cc1C#N,bindingdb_645204
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N(C)OC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017623
+C[C@@H](Nc1ccc([C@@H]2O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)O2)cn1)c1ccc(N)cc1,bindingdb_430690
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC4CC4c4ccc(C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018619
+C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCN(C)C3,CHEMBL1504516
+Cc1csc(SCC(=O)Nc2sccc2C#N)n1,bindingdb_999742
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(C)C)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645333
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCOc1ccccc1OC,CHEMBL1308226
+COc1ccc([C@@H](C(=O)Nc2cc(F)c([Si](C)(C)C)c(F)c2)N(C)C(=O)c2cc(O)no2)cc1,CHEMBL4217952
+CC(=O)c1ccc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1,CHEMBL479988
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL120009
+CCCCCCCC/C=C/CCCCCCCC(=O)O,DB04224
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cn1,CHEMBL206648
+Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1,bindingdb_89260
+c1cc2c3c(cccc3c1)NC1(CCCCCC1)N2,CHEMBL1391342
+CN(C)CC(C(=O)c1ccccc1)c1ccccc1,bindingdb_69077
+OC1(C(F)(F)F)CCc2c1[nH]c1c(Cl)cc(Cl)cc21,CHEMBL1288323
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],CHEMBL2348884
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12,CHEMBL3678154
+Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1C(F)(F)F,CHEMBL215812
+CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB14649
+COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_650874
+O=C1C(=CNc2ccc3c(c2)OCO3)CCc2ccccc21,bindingdb_584149
+Cn1ccc2cc(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18549
+O=C(NN=Cc1ccco1)c1ccc(C(=O)NN=Cc2ccco2)o1,bindingdb_91293
+BrC1=CN2NC(c3cc4ccccc4n3Cc3ccccc3)=NC2N=C1,CHEMBL4171721
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL203409
+CCOc1[nH]c(/N=C/c2ccco2)c(C#N)c1C#N,CHEMBL1716742
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1F,CHEMBL467633
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NC2CCS(=O)(=O)CC2)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F,bindingdb_1183869
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651152
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C4CCCCC4)CCCc4ccccc43)C(F)(F)F)cc12,CHEMBL383890
+O=C1C=C2CCN(S(=O)(=O)Nc3ccccc3)CC2(Cc2ccccc2)CC1,CHEMBL393265
+CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC(=O)[O-],bindingdb_1114879
+CC(C)CN(Cc1ccc(N2CC[C@H](N(C)C)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654794
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NC3CCC(=O)NC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55065
+CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NC/C=C/CCC[C@@H]3C[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]4(C)[C@H]3O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,CHEMBL4246725
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,DB04839
+CC(C)S(=O)(=O)CCc1ncn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_654210
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccc(I)cc3)CCC[C@@H]2C1,CHEMBL213659
+CCN(CC)c1ccc(C(C)=NNC(=O)c2ccc(O)cc2)cc1,bindingdb_1000884
+COc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1,CHEMBL194945
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(=O)(=O)C1CC1,bindingdb_648351
+NC(=O)Nc1cc(-c2ccnn2-c2ccc(Cl)cc2)ccn1,CHEMBL3643660
+CC(C)NC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647330
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(F)(c4ccccc4)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_648247
+CC(c1nnc(-c2cccc(F)c2)o1)N1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1946807
+CC(C)[C@H]1c2nc(NS(=O)(=O)c3ccc(CC(=O)O)cc3)sc2CN1Cc1ccc(C#N)c(F)c1,bindingdb_270602
+CC(C)(C)n1nc(Cc2cccc(O)c2)c2c(N)ncnc21,DB08461
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccc(F)c1)c1cc2ccccc2o1,CHEMBL1381980
+O=C(/C=C/c1cccs1)N1CCc2ccccc21,bindingdb_672637
+CC(C)(C)OC(=O)n1c(-c2ccc(CCC(N)=O)cc2)cc2ccccc21,CHEMBL393966
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1,CHEMBL604959
+CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21,bindingdb_87274
+C[C@@](O)(COc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074216
+CCOC(Cc1ccc(OCCN2CC=C(c3cc(Cl)cc(Cl)c3)CC2)cc1)C(=O)O,CHEMBL489377
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNS(=O)(=O)CC(F)(F)F)[C@H]1C,bindingdb_645769
+COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(OC)ccc21,CHEMBL1085667
+COc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,bindingdb_1074197
+CC(C)(CC(O)(CNc1cccc2c(=O)[nH]ccc12)C(F)(F)F)c1cccc(F)c1O,CHEMBL4082878
+CC(C)c1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O,CHEMBL235173
+C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)CCCC2(C)C,CHEMBL107039
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(OCCO)nn3ccccc23)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645398
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](c2n[nH]c(=O)o2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_648184
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1,bindingdb_292606
+FC(F)(F)c1ccc(CN2CCN(c3ccccc3)CC2c2ccccc2)cn1,CHEMBL3815113
+CCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O,CHEMBL3114118
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CCC(C(C)(C)C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263576
+N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)OC(S)=N3)c1,CHEMBL24922
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2)N1CC1(F)COC1,bindingdb_403705
+Cc1ccc(C)c2oc(-c3nsc(-c4ccc(C(=O)O)c(F)c4)n3)cc12,bindingdb_965513
+CN(Cc1ccccc1OCCCC1CC1C(=O)O)C(=O)c1ccc(-c2ccco2)cc1,bindingdb_1002100
+CCc1ccc(S(=O)(=O)C23CCN(C(=O)C45CCC(C(=O)O)(CC4)CC5)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_652095
+Cc1nn(C2CC2)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645266
+COc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OC(=O)c3c(-c5c(F)cccc5F)noc3C3CC3)C4)nc12,bindingdb_1017861
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)C(C)(N)C(F)(F)F)[C@H]1C,bindingdb_645500
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1cnc(C(F)(F)F)cn1,bindingdb_1130836
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC(C)(C)OC)c(Cl)c1Cl)C(F)(F)F,bindingdb_645400
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)[C@@H](C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183165
+COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(\C)CCC=C(C)C,CHEMBL2337127
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(n3cnnc3)CC2)c(F)c1,bindingdb_650982
+O=CC1=C(Cl)c2sc3nc4n(c(=O)c3c2CCC1)CCCCC4,CHEMBL578830
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(C[C@H]2CCc4nc(C)oc4C2)[C@H]3C(C)C)nc1,bindingdb_1127727
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C)n1,bindingdb_403909
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(F)c1F,bindingdb_404190
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2(CO)CC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184238
+CC(C)(C)COC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CCNC(=O)C1CC1)O2,bindingdb_645283
+NC1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCC1,bindingdb_651578
+O=C(O)c1ccc2cc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1018574
+COCCCNc1nc2c(=O)[nH]c(=O)n(C)c2[nH]1,CHEMBL1577175
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1Oc1ccccc1,CHEMBL4212022
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@@H]2COC[C@@H]2O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183590
+CCCO/N=C(\C)C(Cc1ccc(OCCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O,CHEMBL230517
+Nc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4227190
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1,bindingdb_646936
+CCCCCCc1ccc(NC(=O)CCC(=O)O)cc1,bindingdb_26639
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C)cc1,bindingdb_1127473
+CC1(NC(=O)Cc2ccncc2)CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_653121
+CCc1ccc2nc(NC(=O)c3ccc4c(O)nc(CN5CCOCC5)nc4c3)sc2c1,CHEMBL1443090
+CC(C)[C@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@]12C,CHEMBL486197
+COc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)cc1,CHEMBL3261419
+Cc1ccccc1CC(O)(CC(C)(C)c1cc(F)ccc1O)C(=O)Nc1ccc2c(c1)COC2=O,CHEMBL373083
+Cc1ccccc1CC(C)(O)c1ccnc(NC(N)=O)c1,CHEMBL3643683
+CCCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183904
+COc1c(OCCNCCCF)cccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_402380
+CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CC[C@@H]2C(=O)O,CHEMBL143192
+CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C#N)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590835
+CCCc1nc(C(=O)NC2CCC2)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12,bindingdb_652592
+CC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1,CHEMBL495135
+N#Cc1cccc(Cc2c(N3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1,CHEMBL427265
+Cc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CHEMBL1361641
+CC(C)c1ccc(NC(=O)c2cnc3c(c(Cl)nn3C)c2Cl)cc1,bindingdb_168457
+Oc1ccc(C2=COc3cc(O)ccc3C2)cc1,CHEMBL195560
+Cc1cc(-c2nc(-c3ccc(F)cc3)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2ccccc2n1,bindingdb_650309
+COc1ccc(F)cc1C(C)(C)CC(O)(CCCc1ccccc1)C(F)(F)F,CHEMBL236406
+CC/C(=C(/c1ccc(OCC(=O)O)cc1)c1cccc(O)c1)c1ccccc1,CHEMBL104416
+CC1(Nc2cc(C(F)F)c(-c3sc(C(=O)N[C@H]4C[C@H](O)C4)nc3C(=O)N3C4CCC3CC4)cn2)CCC1,bindingdb_1184085
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6ccc(O)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834538
+Cc1cc2c(cc1O)OCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403408
+C[C@]1(C(=O)O)CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_649433
+CC(=O)N1CCC(C(=O)N2CC[C@@](c3ccc(C(OCc4c(F)cccc4C(=O)O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_647713
+Cc1ccc(NC(=O)c2ccc3snnc3c2)cc1C,bindingdb_55674
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)c(Oc3ccc(C(F)(F)F)cc3Cl)s2)cc1,CHEMBL3605092
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(C[C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649111
+CC(=O)NC(C)(C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646161
+Cc1cc(I)c2c(c1)C1C=CCC1C(C(=O)O)N2,CHEMBL1329589
+CC12CCC(=O)C=C1c1ccc(O)cc1C2,CHEMBL211599
+Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCC1)C(=O)N2,CHEMBL407622
+CCCCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL2413333
+Cc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1,5ntp
+Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL331996
+O=C(Nc1ccc2c(c1)OCO2)c1ccncc1,bindingdb_91217
+CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(=O)O,CHEMBL365315
+O=C(/C=C/c1ccccc1)Oc1cccc2c(O)cccc12,CHEMBL2071183
+CC(C)(C)c1cc(-c2oc(C(N)=O)nc2CC2CCCCC2)cc(C(C)(C)C)c1,bindingdb_645174
+CN(C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N=C=S)cc1,bindingdb_1074166
+CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,bindingdb_1004951
+N#Cc1cnc(N2CCC(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccccc3)C2)nc1,bindingdb_646402
+CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348889
+CC(=O)NS(=O)(=O)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4166492
+COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@H](C)C(=O)O)c3)c3ncccc23)cc1,CHEMBL452299
+COc1ccc2c(Nc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1,CHEMBL4172935
+CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL493241
+O=C(COc1ccccc1-c1ccccc1)NCc1ccco1,bindingdb_112069
+COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_403884
+COc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CCCO)cc1,bindingdb_760396
+O=C(CCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,bindingdb_999778
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(C#N)ccn3)cc2)cc1,CHEMBL4279356
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3cnc(CC(C)(C)C(=O)O)s3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_647736
+CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)n1,bindingdb_1018751
+CCn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=O)N2,CHEMBL431380
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCS(N)(=O)=O,CHEMBL1098171
+COCCNc1ccc(CN(CC(C)C)S(=O)(=O)Cc2ccccc2)cc1,bindingdb_650566
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-],CHEMBL2348916
+C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(-c2cc(F)c(C#N)c(F)c2)n1,bindingdb_476041
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)C1CCC(C)(C)CC1,bindingdb_1143398
+COc1ccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(NC(N)=O)c2)c(OC)c1,CHEMBL3643693
+CC(C)(C)c1cc(OC(=O)c2ccco2)ccc1O,CHEMBL3613279
+CC(NC(=O)[C@H](C)N)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652207
+CCC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL521760
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)C[C@H](CCc1nnn[nH]1)O2)C(F)(F)F,bindingdb_648120
+O=C([C@H]1CC[C@@](F)(C(=O)O)CC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,CHEMBL3966534
+CO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL482993
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1F,CHEMBL377083
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OCC(=O)N2,CHEMBL522264
+CCc1cccc2c(C(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)c[nH]c12,bindingdb_69083
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183826
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(CN)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695797
+CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3C(F)(F)F)CC2)cc1)C(=O)O,CHEMBL514544
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3C(F)(F)F)c(Cl)c12,bindingdb_417618
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N2CC(CC(F)(F)F)C2)cc1OC,bindingdb_1183765
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651405
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4cccc(C(=O)O)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019056
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(c3ccccc3)C[C@@H]2C(=O)O)c1,CHEMBL3398444
+NS(=O)(=O)c1cccc(N2CCN(CC3CCN(CC(F)(F)F)CC3)[C@@H](c3ccccc3)C2)c1,bindingdb_1130983
+Oc1ccc(-c2ccc3ccccc3c2)cc1,CHEMBL194772
+CCn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL1940555
+N#CC(=NNc1ccc(Cl)cc1)C(=N)N1CCCCCC1,bindingdb_999683
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3CCC3)CC2)cc1)c1ccccc1,bindingdb_375338
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CHEMBL4302011
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(Oc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206348
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(Cl)cc3)n2)c1,CHEMBL1087471
+O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1,bindingdb_292561
+CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O,CHEMBL3126941
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1,CHEMBL1253832
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O,CHEMBL3314497
+CC(C)(O)CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_654589
+Fc1ccccc1C1c2nnnn2CCN1Cc1cccc(F)c1F,bindingdb_654072
+CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12,bindingdb_1026183
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)OC(CCC)(C(=O)O)CC2,CHEMBL419756
+Cc1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c2)cc1,CHEMBL521866
+COc1ccc(-c2ccc(SCC(=O)Nc3nccs3)nn2)cc1OC,CHEMBL1467089
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCC3CCN(S(=O)(=O)C4CC4)CC3)c(=O)n([C@@H](C)C3CC3)c2n1,bindingdb_650142
+Cc1ccc2nc(-c3cccs3)c(N[C@@H](C)c3ccccc3)n2c1,CHEMBL4098158
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1,CHEMBL1835807
+COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1O,CHEMBL4285568
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(O)cc1,CHEMBL186930
+CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCC(C)(C)CC4)cc3Cl)cc2O1,CHEMBL178659
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)c3)cc12,CHEMBL3699423
+CC(C)(C)OC(=O)Cn1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_107856
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC3(CCO3)C2)cc1F,bindingdb_648919
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1,CHEMBL3105800
+Fc1ccc(NC(=S)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,bindingdb_539846
+Sc1nc(SCc2ccccc2)nc2ccccc12,CHEMBL1306480
+O=C(O)c1cccc(CSc2ccc(Cl)cc2Cl)c1,CHEMBL1923999
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(CC(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F,bindingdb_475860
+CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(Br)cc3)n2)cc1)C(=O)O,CHEMBL310962
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1c(F)cc(CC(C)C(F)(F)F)cc1F,bindingdb_1184284
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1,bindingdb_649704
+COc1cc(C(=O)O)ccc1CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645049
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCc1noc(=O)[nH]1)O2)C(F)(F)F,bindingdb_647500
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ncc(OC(F)F)cn5)c4)(CC2)CC3)no1,bindingdb_1017409
+CC1(C)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL117965
+CCc1nc2c(C)cc(Cc3ccccc3)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL1801743
+O=Cc1cc(O)cc2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL192901
+COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)C1c1cccc(Br)c1,bindingdb_87261
+CCCCCC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_999796
+O=C1c2ccccc2C(=Cc2cccc(O)c2)c2ccccc21,CHEMBL4278637
+O=C(CC1CCS(=O)(=O)C1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646705
+Oc1ccc2cc(-c3cc(F)c(O)cc3F)ccc2c1,CHEMBL195289
+COC(=O)c1cc(Br)c(=O)n(-c2nccs2)c1,CHEMBL1517409
+N#Cc1ccc(-n2c(O)c3n(c2=O)CC[C@H]3O)c2ccccc12,bindingdb_964685
+CC[C@]12CC[C@H]3[C@@H]([C@H](C4CC4)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,CHEMBL3695607
+C=Cc1nc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)no1,bindingdb_651801
+CCn1c2ccccc2c2cc(NC(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,CHEMBL4215031
+CC(C)(C)c1cc(-c2cc(C(N)=O)ccc2CC2CCCCC2)cc(C(C)(C)C)c1,bindingdb_646666
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCC2)cn1,CHEMBL220708
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(C(F)F)c2C)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654930
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c3ccccc23)CC1,bindingdb_651983
+CCCCCOc1cc2ccccc2cc1C(O)C/C=C/CCCC(=O)OC,CHEMBL198708
+COc1cccc2oc(-c3ccccc3)cc(=O)c12,CHEMBL16685
+CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,6ggg
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ccc(OC(F)(F)F)cc5)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017544
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CCCC(=O)O)cc3)C[C@@]21C,CHEMBL500992
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)cc3F)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511826
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1[C@H](C)c1ccc(C#N)cc1,bindingdb_270584
+CCC(C)(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1,bindingdb_1183062
+COc1cc(/C=C/c2ccc(OS(=O)(=O)[C@H]3C[C@H]4O[C@@H]3C(c3ccc(O)cc3)=C4c3ccc(O)cc3)cc2)cc(OC)c1,CHEMBL4202758
+Cn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3)c2c1=O,CHEMBL399603
+COc1cc(S(=O)(=O)N2C[C@H](CNS(C)(=O)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1F,bindingdb_653276
+N#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1,CHEMBL1086312
+CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCCC(C)=C1C)Oc1c(F)cc(F)cc1-3,CHEMBL507532
+COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1CC1CCCCC1,CHEMBL3920525
+Cn1nnnc1/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL4059624
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1,CHEMBL1511693
+O=C(C1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)cs3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1,bindingdb_1018809
+Cc1ccc(NC(=O)C[C@H](CCC(=O)O)c2noc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1,CHEMBL3314012
+CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(=O)CC)c1O,CHEMBL25710
+Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643199
+CC(C)(C(=O)Nc1nccs1)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCC1,CHEMBL2426640
+COc1cccc(C=NNC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1,bindingdb_112243
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)ccc1OCc1ccccc1,CHEMBL2385735
+Cc1ccc(SCCSc2ncccn2)cc1,bindingdb_999730
+C=CCC1Oc2ccc(Br)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8027
+CCOC(=O)N1C[C@H](CC(=O)O)[C@@H](c2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1,CHEMBL3398432
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC[C@H]4CO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263561
+CC(C)(CO)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2NCC[C@H]21,CHEMBL1910407
+CCc1cccc(Cl)c1/C=C1\C(=O)N(c2ccc(C(=O)O)c(O)c2)c2cccc(C)c21,bindingdb_206227
+O=C([C@H]1CC[C@H](c2nnn[nH]2)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645823
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CCC[C@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183019
+CC(=O)Nc1nc(C=C(Cl)Cl)cs1,CHEMBL1441028
+CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc21,CHEMBL134375
+COC1CN(C(=O)C2(C)CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_646879
+CCCCC(CCCC)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1,CHEMBL2403351
+CC[C@H]1c2ncc(C(=O)N[C@@H](COC)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)OC1,bindingdb_270614
+CC1(C)CCC(O)(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)CC1,bindingdb_1130738
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c([N+](=O)[O-])cn1,bindingdb_476101
+Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2,CHEMBL2164575
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(Cc4ccccc4)Cc4ccc(C(=O)O)cc4)cc3)C[C@@]21C,CHEMBL242036
+CC(C)c1c(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,bindingdb_206255
+NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_961360
+CC(C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2[nH]c3ccccc3c2C[C@H]1C,CHEMBL3623002
+CS(=O)(=O)N1CC2(CN(Cc3cc(F)c(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)c(C4CC4)c3F)C2)C1,bindingdb_206248
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(OC(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_206386
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ncc(S(=O)(=O)N4CCCOCC4)s3)C2)cc1C(F)(F)F,bindingdb_475944
+COCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21,bindingdb_1157627
+O=C(O)c1cnc(N2CCC2)c(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1019122
+C[C@]12Cc3cnn(C4CCCCC4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1cnc2ccccc2n1,CHEMBL2022863
+CCCCCCn1cnc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21,CHEMBL465058
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc([C@H]2CCCO2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270836
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(C#N)c3)c(F)c2)CC1,CHEMBL3581548
+CC(C)(O)C12CCC(C(=O)N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)(CC1)CC2,bindingdb_655040
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCN(C)C(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018613
+Cc1ccc2nc(-c3cccs3)c(Cc3ccccc3)n2c1,CHEMBL4090443
+COc1nc2ccc([C@](O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_653459
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651764
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CCC(F)(F)F)cc1F,bindingdb_1183061
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCC4OC(C(=O)O)C(O)C(O)C4O)cc3)C[C@@]21C,CHEMBL78124
+C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C,CHEMBL3745798
+CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1,bindingdb_1026211
+O=C1Nc2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)c3cccc1c23,CHEMBL3234242
+CC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,bindingdb_69223
+CCC(=O)O[C@]1(C(=O)SCCCCCCCCCCP(=O)(O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,bindingdb_417279
+CCNC(=S)NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12,bindingdb_999908
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@H]2COC[C@@H]2F)C3)CC1,bindingdb_648267
+Cc1nn(Cc2ccc(C(F)(F)F)nc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417353
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccnc1)O2,CHEMBL291610
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCOc1ccc(S(C)(=O)=O)cc1Cl,bindingdb_511710
+CC(C)Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)c(F)c1,CHEMBL4088736
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654884
+CC(C)c1cc(C(=O)c2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_93240
+O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL1956366
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL3355860
+C=C[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12,CHEMBL3084691
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2nnc(C(F)(F)F)o2)[C@H]3C(C)C)cc1,bindingdb_271066
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)c3ccccc3)cc2S(=O)(=O)N1,bindingdb_846232
+Cc1cc(SCCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL259973
+Oc1ccc2c3c(cnc2c1)-c1ccc(F)cc1O[C@H]3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050058
+COCCOc1cccc(Oc2ccc(CN(Cc3ccccc3)c3cccc(NS(C)(=O)=O)c3C)cc2)c1,CHEMBL359515
+COc1ccc(OC)c(-n2cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)nn2)c1,bindingdb_356336
+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1278177
+CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccn3)cc2)n1,CHEMBL1091720
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1182802
+COc1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1,CHEMBL3753029
+Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,CHEMBL361078
+O=S(=O)(CCCF)Nc1ccc(Cl)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F,bindingdb_257881
+O=C(O)[C@H]1CC[C@](O)(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_653773
+COC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)c(C)c3)sc3cc(O)ccc23)cc1,bindingdb_403000
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N3CC4CCC(C3)O4)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182983
+CC[C@@H](CC[C@H](c1ccccc1)[SH](=O)=O)NCc1cc(F)c(N2CCC(N(C=N)C=N)CC2)cc1F,bindingdb_650721
+COCCc1nn(C(C)C)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL3264652
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc(C(C)(C)C)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018769
+CC(C)CCN1C[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)SCF)C1,CHEMBL4214377
+Cc1nnc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)o1,bindingdb_757538
+O=C(NN=Cc1cccs1)c1[nH]nc2c1CCC2,bindingdb_999733
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961288
+NC(=O)COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1,CHEMBL1463596
+Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)c(Cl)c12,bindingdb_18644
+CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CHEMBL3781727
+CCOC(=O)c1csc(C2CN(c3ccc(F)c(S(C)(=O)=O)c3)CCN2C(=O)OC(C)(C)C)n1,bindingdb_1143284
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc([C@@H]2C[C@H]2C(=O)OC)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270727
+C=CCN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl,CHEMBL522370
+O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1,CHEMBL1464608
+CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)OC)c(C)c1,CHEMBL214394
+Cc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1,CHEMBL3189877
+CCCCC(Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)O,CHEMBL1819396
+O=C(CO)N1CC[C@@H](C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_651711
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(C(F)(F)F)nc1,bindingdb_270817
+CCC1=C(C(C)C)/C(=C/C(C)=C\C=C\C(C)=C\C(=O)O)CCC1,CHEMBL2114968
+CCCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)O,CHEMBL519974
+CNC(=O)C(F)(F)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645182
+COc1ccccc1CCc1ccnc(NC(N)=O)c1,CHEMBL3643684
+CCn1c(CC2CCC(C(F)(F)F)CC2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_271083
+CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1,CHEMBL4088044
+C[C@](O)(CSc1ccc(NC(=O)CBr)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL125649
+CC(C)(c1nc2nccnc2[nH]1)[C@@H]1c2ccc(-c3ccc(N)cc3)nc2Oc2c(F)cccc21,bindingdb_1054311
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1cccc(OC(F)F)c1)c1c(F)cccc1Cl,bindingdb_998121
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_271260
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(C)C)cc1OC,bindingdb_1183699
+CN1CCN(c2ccc(C(=O)O)c3ccc(C45CCC(OCc6c(-c7c(Cl)cncc7Cl)noc6C6CC6)(CC4)CC5)nc23)CC1,bindingdb_1018903
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(C)(C)F,bindingdb_402593
+NNc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,bindingdb_999974
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1OCC1(C)COC1,bindingdb_652669
+O=C(O)c1cccc([C@H]2C[C@H](c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,CHEMBL3822859
+O=C(O)[C@H]1CC[C@H](n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1,CHEMBL3917164
+CCCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C,CHEMBL2035069
+CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)c(C)c1,bindingdb_206293
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1F,CHEMBL1080821
+Cc1cc(-c2ccc(-n3c(O)ccc3O)c(C)c2)ccc1-n1c(O)ccc1O,bindingdb_831272
+CCN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,bindingdb_168492
+CC(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc([N+](=O)[O-])c1)N2,bindingdb_109172
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCC(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018539
+CC(C)[C@@H]1CN(c2ccc(CN)c(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1,bindingdb_1143393
+CCc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1CC(F)(F)F,bindingdb_650478
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4Cl)oc3C)ccc21,CHEMBL199372
+NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596591
+N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(-c3ccc(F)cc3)c2)c1,bindingdb_598497
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC[C@H]2CO)C3)CC1,bindingdb_647307
+Cc1c(-c2ccccn2)c(=O)[nH]n1-c1ccc(F)cc1,bindingdb_999600
+CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)cc1,bindingdb_1688
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)N(CC2CCOCC2)C(=O)CS3=O)cc1,bindingdb_55010
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@]2(O)CCN(C(C(N)=O)c3ccncc3)C[C@@H]2O)c1F,bindingdb_988985
+CC1(C)Nc2c(cc(-c3ccnc4ncccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582125
+C#C[C@]1(O)CCC2C3CC[C@H]4Cc5nc(S(C)(=O)=O)sc5C[C@]4(C)C3CC[C@@]21C,CHEMBL295204
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@]3(C)CC[C@@H](C(=O)O)CC3)C2)ccc1F,bindingdb_646286
+COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccc(F)cc3)c3ccccc3c2=O)cc1OC,bindingdb_953788
+O=C(CCCN1c2ccccc2N(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)S1(=O)=O)N1CCCC1,CHEMBL3402136
+Cc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@](C)(C(=O)O)CC3)C2)cc1F,bindingdb_653984
+CN1CC2N(C(=O)C3CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_645954
+Cc1cc(S[C@@H](Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4247027
+Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C3)c1,CHEMBL4104661
+O=C1c2ccccc2C(=O)N1c1ccc(CCc2ccccc2)cc1,CHEMBL585552
+Cc1cc(-c2noc3cc(O)ccc23)ccc1O,CHEMBL186945
+COc1ccc2c(n1)CCN(C(=O)C[C@H]1C[C@@H](C(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4091605
+Cc1cc(S(=O)(=O)N(CCC(C)C)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL1760266
+O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCCCC1,CHEMBL3763793
+Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1,CHEMBL372411
+Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1C,CHEMBL1536665
+Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCOCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087812
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)(F)CO,bindingdb_400911
+COc1cc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc(OC)c1OC,bindingdb_539831
+CC(C)(C)OC(=O)N1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_648285
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1cnn[nH]1)O2)C(F)(F)F,bindingdb_645841
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H](c3ccccc3)C2)c1,bindingdb_1000269
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccncc4)c(Cl)c3)C2=S)ccc(C#N)c1C(F)(F)F,bindingdb_511766
+Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1,bindingdb_672320
+Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(F)cc1,CHEMBL3261424
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2ccc(OC(F)(F)F)cc2)cc1,bindingdb_270564
+O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc[nH]1,bindingdb_112286
+NC(=O)c1ccc(Cl)c(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc(Cl)c3)cc2)c1,CHEMBL3794039
+CC[C@@H](C(C)C)[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4067156
+CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1,CHEMBL146624
+CCC1(c2ccco2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL520223
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC3(O)CCC3)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1182931
+O=C(COC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1,bindingdb_55594
+CCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL2413228
+CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCC2,CHEMBL1669774
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccc(O)cc3)c2)c(Br)c1,CHEMBL235607
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2C#N)N1CC1(F)CC1,bindingdb_402883
+COc1ccc2c(n1)CCN(C(=O)C[C@H]1C[C@H](C(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4074514
+Oc1ccc(-c2nn(-c3cc(F)ccc3F)c3cc(O)ccc23)c(O)c1,CHEMBL374277
+C[C@H]1CCCN1c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168401
+c1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1,bindingdb_539943
+Oc1cc(O)c2sc3nc(C(F)(F)F)c4c(c3c2n1)CCCCC4,CHEMBL1613080
+CCN1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2OCC1C,CHEMBL227305
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183905
+COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12,bindingdb_760556
+CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCOC)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933830
+COc1ccc(F)cc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1)=CC(C)(C)N2,CHEMBL242675
+NC(=O)CN1CC[C@@](O)(CNc2ncnc(N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1,bindingdb_988798
+CCCCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL2312705
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(NC(C)=O)cc1,CHEMBL1835811
+CN1CCN(/C=N/c2sc3c(c2C#N)CCCCC3)CC1,bindingdb_999960
+CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=O)N1CCCCO,CHEMBL187251
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c2ccccc12,CHEMBL3640869
+CN1C(=O)CCC1(C)C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_654919
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCCC3)c2C)CC1C,bindingdb_999663
+Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934481
+Cc1oc(-c2ccccc2)nc1COc1ccc(Cc2ccc(OC(C)C(=O)O)cc2)cc1,CHEMBL4100336
+CC(C)CC(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1,bindingdb_645870
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183054
+CCOC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)N=C1C,CHEMBL1464837
+CC(C)[C@H]1c2ncc(C(=O)NC3(c4cnccn4)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123948
+CCC[C@@H]1C[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,CHEMBL379008
+N#Cc1ccc(C(O)(C2CCCC2)C(F)(F)F)cc1Cl,CHEMBL3817881
+CCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],CHEMBL564368
+Cc1cc(-c2cc3c(c4c2CCC4)NC(C)(C)C(=O)C3(C)C)n(C)n1,CHEMBL3582117
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1Cl,bindingdb_1184368
+Cc1ncc(C(O)(c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)n1C,bindingdb_648203
+Cc1n[o+]n([O-])c1COc1ccccc1/C=N/n1nnnc1N,bindingdb_1749
+CN(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)cc1,CHEMBL2441098
+CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12,CHEMBL1393
+Cc1c(N(C)CCN(C)CCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_402978
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC(N2CCNCC2)C1,bindingdb_653816
+COC(=O)c1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1,CHEMBL3798358
+COc1ccc(NCCNCCCF)nc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_403265
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651903
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CC5CC5C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263704
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054283
+Cc1nc2c(C(F)(F)F)cc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cn2n1,bindingdb_1018900
+O=S1(=O)[C@H](c2ccccc2)CC[C@H](C(F)F)N1Cc1cc(F)c(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_649422
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NC[C@@H]3[C@H]4COC[C@@H]34)c(S(C)(=N)=O)c2)cc1,bindingdb_206564
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183529
+CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3C4CC5CC(C4)CC3C5)C2=S)CN1,CHEMBL4085975
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,CHEMBL259820
+O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1,bindingdb_760204
+Cc1cc(OC(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206695
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4ccccc4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651574
+O=C(O)c1cc(C2CC3(CCOCC3)C2)c2nc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1019054
+Nc1ccc(-c2nc3c(Cl)cc(N)cc3[nH]2)cc1,bindingdb_583984
+O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1,CHEMBL3601088
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(C)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270933
+N=c1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)cc1,bindingdb_539914
+CCCCn1cnc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_417485
+CS(=O)(=O)c1ccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)cc1,bindingdb_292554
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB04348
+CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,bindingdb_965512
+COc1ccc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C(C)C)C(C)(C)C4)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_648509
+Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,CHEMBL1498031
+COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C,bindingdb_645211
+O=C(O)c1cncc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1,CHEMBL3824163
+CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C,CHEMBL2382125
+CC(C)c1cc(S(=O)(=O)c2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965592
+CCN(CC)CCn1nc2c3c(cccc3c1=O)-c1ccccc1-2,bindingdb_672587
+C[C@]12Cc3cnn(C4CCCCC4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2o1,CHEMBL2022655
+O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCCCC4)c3)c(Cl)c2)c(=O)[nH]1,CHEMBL124126
+COC1CN(C(=O)[C@@]2(C)CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_653055
+CCc1ccc(S(=O)(=O)C23CCN(C(=O)[C@]4(O)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_651338
+O=C(O)c1cc(C2CCOCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(F)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017768
+Cc1cc(OC(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206654
+CN(Cc1ccccc1F)C(=O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2349045
+Cc1ccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)cc1,bindingdb_999776
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183172
+Cc1ccsc1/C=C/c1ccc2ccccc2n1,bindingdb_69259
+CC1=C2CCc3c(-c4ccccc4F)nc(-c4ccnc5ccccc45)nc3[C@]2(C)C=C(C#N)C1=O,bindingdb_652175
+Cc1cn(Cc2c(Cl)ccc(C(=O)N3CC[C@@H](C(=O)O)[C@@H](C)C3)c2Cl)c2c(C)cc(OC(F)(F)F)cc12,bindingdb_206626
+CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC(CCO)C(=O)O)O1,CHEMBL347159
+O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,DB01252
+CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)C(=O)C1,bindingdb_654605
+Cc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1946753
+CCCc1c(OCCC(C)CCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12,CHEMBL373286
+CCCCN(Cc1ccccc1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL492637
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(F)F)c2F)s1,bindingdb_651976
+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C,CHEMBL470041
+COc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C)c4)CC3)n2)cc1,bindingdb_672661
+C=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21,CHEMBL395506
+O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1544051
+CCCCOc1ncnc2c1[nH]c1ccc(F)cc12,bindingdb_584159
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)OC(CC(C)C)(C(=O)O)CC2,CHEMBL109773
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2,CHEMBL4061359
+O=C(O)c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc(-c4ccccc4)cc3)cc2Cl)c1,CHEMBL398012
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C(C)C)CCCc4ccccc43)C(F)(F)F)cc12,CHEMBL214336
+COCCS(=O)(=O)c1ccc2c(c1)CN(C(=O)COC)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_650046
+C[C@]12CCC3C4CCC(=O)C=C4C4(CC4)CC3C1C1CC1[C@@]21CCC(=O)O1,bindingdb_430614
+CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(=O)O,CHEMBL4167789
+O=C1CCC2(c3ccccc3)Cc3cc(O)ccc3C2=C1Br,CHEMBL209978
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2Cc2ccc(F)cc2)c(C(F)F)c1F)C(F)(F)F,bindingdb_645749
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H](C)C3CC3)c2=O)nc1,bindingdb_649793
+Fc1ccc(F)c(C2c3nnnn3CCN2Cc2ccccc2F)c1,bindingdb_653752
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640848
+CCCc1ccc(C2=CCN(CCOc3ccc(CC(OCC)C(=O)O)cc3)CC2)cc1,CHEMBL489171
+CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N,bindingdb_1026142
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL2426664
+CC(C)[C@H]1c2ncc(C(=O)NCC3(CC(=O)O)CCCCC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123898
+O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,DB01138
+O=COc1cnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c(F)c1,bindingdb_1017710
+OC1(C(F)(F)F)c2[nH]c3c(Cl)cc(Cl)cc3c2CCC1(F)F,CHEMBL1290751
+C#CCN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL271175
+Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccccc32)C(F)(F)F)c(C)c1,CHEMBL3093454
+CC(C)N(C)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_647445
+CCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1079925
+COc1c(CC(F)(F)F)c(Cl)nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc12,bindingdb_654308
+Cc1c(N=C2N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,bindingdb_1062610
+O=C1CC(NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CN1,bindingdb_654811
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1C(=O)OC(C)C(F)(F)F,bindingdb_1130997
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270985
+CC(=O)N1CCN(c2ccc(CN3C4(CC[C@@H](c5ccccc5)S3(=O)=O)CC4)c(F)c2)CC1,bindingdb_652326
+COc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncn2C)cn1,bindingdb_1183378
+O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2,CHEMBL4070919
+O=C(NCc1ccccc1C(F)(F)F)c1ccc(CC(C(=O)O)c2ccccc2)cc1,CHEMBL3764453
+Cc1cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc(C)c1Cl,CHEMBL1495378
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2C3CCCC2CCC3)cc1,CHEMBL3317865
+COCC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@@](C)(c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL428012
+Cc1ccc(O)c(/N=C/C2=C(O)c3ccccc3C2=O)c1,CHEMBL1991885
+CCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)c([C@@H]1CCN(C(=O)[C@H](C)C3CCCC3)C[C@@H]1C)cn2C,bindingdb_653872
+C[C@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238281
+O=C(O)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1,CHEMBL3609361
+O=C(O)C1CC(c2ccc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)C1,bindingdb_1018758
+O=C(O)Cn1ccc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc21,CHEMBL231688
+O=C(NC1CC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21,CHEMBL1642356
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ccnc(OC(F)F)c1,bindingdb_1143300
+CCN(CC)C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL403761
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc21,CHEMBL372825
+CC(C)(O)C(=O)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650622
+Cc1cc(C(F)(F)F)cc2c1c(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)nn2C,bindingdb_206609
+CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL197548
+C=CCOC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(C(=O)Nc4cccnc4C)ccc3[C@H]21,CHEMBL3982975
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2cnc(S(=O)(=O)NC(C)(C)C)c3ccccc23)s1,CHEMBL4126196
+Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C,CHEMBL1543412
+O=C(O)Cc1coc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc12,CHEMBL234168
+CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)cc1,CHEMBL4288064
+CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961286
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cn3)cc21,CHEMBL4172034
+O=C(c1cccc(Cl)c1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_649880
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(=O)CCC(F)(F)F,bindingdb_55094
+Cc1cc(SCC2(COc3ccc(C(F)(F)F)cc3)OCCCO2)ccc1OCC(=O)O,CHEMBL459789
+C=C(CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3)C(=O)OC,CHEMBL45795
+CC(=O)N[C@H]([C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(F)(F)F,bindingdb_645080
+O=S(=O)(Oc1ccccc1)[C@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,CHEMBL4207109
+CC(Oc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F,CHEMBL1209364
+CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F,CHEMBL3596623
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)C(C)(C)O)c(C)c1Cl,CHEMBL3640833
+Cc1csc(-c2ccc(N3CCN(c4ncc(CO)c(C(F)(F)F)n4)[C@H](C(C)C)C3)cc2S(C)(=O)=O)n1,bindingdb_1143279
+CCS(=O)(=O)c1ccc([C@H](NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)[C@H](C)O)cc1,bindingdb_270750
+CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4164063
+O=C(C1CCS(=O)(=O)CC1)N1CC2Oc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650598
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1cccs1,CHEMBL584258
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(OCCO)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646333
+C/C=C1\CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]2\C1=C\C=C1C[C@@H](O)C[C@H](O)C1,CHEMBL3593369
+COc1ccc(/C=C\c2cc(Cl)cc(Cl)c2)cc1,CHEMBL178967
+CCCCCCOc1cc(C)c(C(=O)CCN2CC2C)c(C)c1,CHEMBL553624
+CC(C)c1ccc(N(C(C)C(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)nc1,CHEMBL3314022
+COc1ccc(C(CC(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1,CHEMBL4207495
+C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,bindingdb_961346
+CCOC(=O)N1CC[C@H](N(Cc2cc(F)ccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL601472
+CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)cc1,bindingdb_652561
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)O)cc1,bindingdb_1017811
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4168102
+CC(C)c1cc(Oc2c(Cl)cc(N(C)Cc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_93243
+C[C@H](NC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1,CHEMBL500897
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F,CHEMBL3358928
+C=CC[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL369979
+CS(=O)(=O)Cn1cc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1,CHEMBL1083755
+O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])c3ccccc23)c1,CHEMBL2023820
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4)no3)nc12,bindingdb_965492
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1,CHEMBL3800208
+COCCC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)nc4n3C)c2Cl)CC1,bindingdb_206573
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3C[C@H]4CC[C@@H](C3)N4CC(F)(F)F)[C@H](c3ccccc3)C2)c1,bindingdb_1130727
+CC(/C=C/c1sccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)F)=C\C(=O)O,CHEMBL340555
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2Br)ccc1O,CHEMBL391513
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NOCc1cccnc1)O2,bindingdb_647566
+O=C(O)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1019057
+CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)O,CHEMBL215701
+Cc1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1,bindingdb_539848
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2,CHEMBL3735376
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(OCC)c3)cc21,CHEMBL203341
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC1CCC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651695
+O=C([C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(c2cccnc2)C1,bindingdb_651356
+CCn1cc(CNCc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)cn1,bindingdb_112196
+CC1CCCN(C(=O)COC(=O)c2[nH]nc3ccccc23)C1,CHEMBL1583952
+Oc1ccc(/C(=N\c2ccccc2)c2ccc(O)cc2O)cc1,CHEMBL3234626
+COCCn1c(SCCOc2ccc(C)cc2)nc2ccccc21,CHEMBL2316560
+O=C(NC[C@H]1CC[C@H](Oc2ccnc3c(Br)cccc23)CC1)c1ccon1,bindingdb_476167
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)cc12,CHEMBL3695877
+COc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1)CC2,CHEMBL258706
+CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL146032
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)cc1,CHEMBL3814381
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1182847
+CCc1cc(C#N)ccc1N1C(=O)[C@@H]2[C@H](O)CCN2C1=O,CHEMBL231328
+Nc1cc(-c2cc(Cl)cc(Cl)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4289691
+CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL201880
+O=C(c1ncc[nH]1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646837
+O=C(O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1,CHEMBL180912
+Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F,bindingdb_584101
+Oc1ccc(-c2cnc3cc(O)ccc3c2)cc1,CHEMBL396309
+C#CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649439
+O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])o1,bindingdb_1718
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3ccc(F)cc3F)cc12,CHEMBL3695887
+O=C(Nc1c(C(=O)N2CCC(N3CCCCC3)CC2)oc2ccccc12)c1ccc(F)cc1,bindingdb_69326
+Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)[nH]n1,CHEMBL1342889
+Cc1ccccc1N1CCN(C(=O)COCc2c(C)noc2C)CC1,bindingdb_25332
+CNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,bindingdb_760451
+Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=O)Nc3ccccc3)cc2)c1=O,CHEMBL3896121
+C=CC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F,CHEMBL246007
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(Br)c1,CHEMBL235608
+CC(O)(c1cccc(F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1,bindingdb_292583
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cncnc4)ccc3[nH]2)C1=O,CHEMBL3578290
+CN(C)c1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1,CHEMBL1462120
+O=C(Nc1ccccc1)n1c(-c2ccccc2)cc2c1CN(S(=O)(=O)c1cccs1)CC2,bindingdb_846288
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C2CC2)C2CC2)cc1C(F)(F)F,bindingdb_1183911
+CC1=C(C(C)C)/C(=C/C(C)=C\C=C\C(C)=C\C(=O)O)CCC1,CHEMBL2111790
+CC(/C=N/NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1,bindingdb_672390
+Oc1ccc2c(c1F)OCCC(c1ccc3cc[nH]c3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403550
+CCS(=O)(=O)c1ccc([C@H](COC(N)=O)NC(=O)c2ccc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206203
+O=C(O)[C@@H](Cc1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL4243327
+C[C@H]1CN(C(=O)[C@]2(F)CC[C@@H](C(=O)O)CC2)C2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C21S(=O)(=O)c1ccc(F)cc1,bindingdb_650430
+CC1(C)[C@H]2CC[C@]1(c1cncc(-n3cnc([C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647496
+COC(=O)CCCc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1,CHEMBL1945220
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)cn1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC,bindingdb_1182943
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(Cc5ccccc5)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017762
+Cc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1,CHEMBL464764
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccncc1)c1ccccc1,CHEMBL1821833
+Cc1csc(NC(=O)c2oc3ccccc3c2C)n1,bindingdb_999665
+C[n+]1c2n(c3ccccc31)N=C(c1ccc(-c3ccccc3)cc1)CS2,bindingdb_539890
+COc1ccc2nc(Nc3nc(C)c(C(C)=O)s3)sc2c1,bindingdb_100141
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(c1ccco1)(c1ccco1)OCC(=O)N2,CHEMBL483246
+O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(F)c43)c2Cl)CC1,bindingdb_206718
+CC(C)c1ccc(-n2cnn(-c3ncccc3[N+](=O)[O-])c2=O)cc1,bindingdb_999588
+CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334821
+CCCCC12CCC(=O)C(C#N)=C1c1ccc(O)cc1C2,CHEMBL376986
+O=C(O)C1CCC(CF)(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651642
+C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc2oc(C)cc2c1)CCC(=O)O,bindingdb_1002202
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccc2ccccc2n1,CHEMBL2024023
+Cc1cc(C(=O)O)ccc1-c1nc(-c2cc3c(C)ccc(C)c3o2)no1,bindingdb_965499
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(Cl)ccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650405
+CC(=O)c1c(C)[nH]c(C(=O)NCCc2cccc(C)c2)c1C,bindingdb_982764
+O=C(O)C(O)c1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1,bindingdb_650789
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)ccc21,bindingdb_1054244
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCC[C@H]1C(=O)Nc1ccncc1,bindingdb_652340
+Cc1onc(NC(=O)c2ccc([N+](=O)[O-])o2)c1Br,bindingdb_1724
+CC12CCC(=O)N1C(C(=O)OCC(=O)Nc1sccc1C#N)CS2,CHEMBL1388051
+Cc1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)O)C(C)C)cc2Br)cc(C(C)C)c1O,CHEMBL236500
+CCOC(=O)C1CCCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)C1,bindingdb_112277
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1coc(N)n1,bindingdb_652851
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1,CHEMBL2426156
+CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,CHEMBL1388279
+C[C@H](C[C@@H](O)C(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138040
+Cc1ccc(C2=CC(C)(C)Oc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)s1,CHEMBL163530
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4ccc(F)cc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263898
+CCC(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206405
+Cc1c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)cc(Cl)c(S(=O)(=O)NC(C)(C)C)c1Cl,bindingdb_646903
+CC(NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)c2ccccc12)C(F)(F)F,bindingdb_653283
+CC(C)(C)c1ccc(-c2cc(-c3ccccc3O)n[nH]2)cc1,bindingdb_539873
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCCN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL601873
+CCC(=O)Nc1cccc(NC(C)=O)c1,CHEMBL1375737
+COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1,bindingdb_87263
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(CCO)CC3)c1Cl)n2C,bindingdb_649438
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2,CHEMBL4088286
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(N2CCC(C(=O)O)(c3ccccc3)CC2)c2c(F)cccc21,bindingdb_648693
+C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12,CHEMBL240227
+O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3cccnc32)cc1,CHEMBL3938404
+Cc1c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(F)(F)CO)ccnc1OCCNCCCF,bindingdb_401485
+O=C1NC(=O)C(=Cc2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)C(=O)N1,CHEMBL496119
+C=Cc1cc(O)cc2nc(-c3cc(F)c(O)c(F)c3)oc12,CHEMBL362507
+CC(C)CN([C@H](C)c1ccc(N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_653851
+CCN(C[C@H]1CC[C@H](C(F)(F)F)CC1)c1ncnc2c1ccn2CC1(O)CCN(CC(N)=O)C[C@H]1O,bindingdb_653505
+Nc1ccc(Oc2ccc(N)c(N)c2)cc1N,CHEMBL1448416
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1F,bindingdb_998355
+O=C1CC(c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)CN1,CHEMBL1329623
+COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)c1,CHEMBL1620935
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1,CHEMBL3105797
+C=CCC1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8007
+C/C(=C\c1ncc(C(=O)O)s1)c1ccc2c(c1)C(C)(C)CCC2(C)C,CHEMBL93577
+CCOC(=O)C(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL370809
+O/N=C/c1ccc(-c2ccc(O)cc2)cc1F,CHEMBL455215
+O=C(O)c1cc(C(F)(F)F)cc2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc12,bindingdb_1018840
+CC(=O)NC(C)c1nc(-c2ccc(OCCc3ccc(OS(C)(=O)=O)cc3)cc2)no1,CHEMBL4092884
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2,bindingdb_1017444
+O=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1ccccc1C(F)(F)F,bindingdb_672346
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc(SC(F)(F)F)cc1)CC2,bindingdb_17617
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(-c5ccccc5)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017746
+Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1,CHEMBL478725
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc2c(c1)OCO2,bindingdb_646505
+O=C(O)c1ccc(-c2noc(-c3cc4c(Cl)ccc(Cl)c4o3)n2)cc1F,bindingdb_965527
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183806
+CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1C(=O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL1628199
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3F)c3c(F)cccc32)cc1,bindingdb_648562
+COc1ccc(OC)c2c1s/c(=N\C(=O)C(C)(C)C)n2C,bindingdb_112109
+O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2N1,CHEMBL1929034
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(c1cccs1)OCC(=O)N2,CHEMBL492021
+Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1ccccc1Cl,CHEMBL569353
+CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270678
+CSc1nc(Sc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc(Sc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)n1,CHEMBL3913928
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C#N)cc1,CHEMBL3965309
+Cc1nn(-c2ccccc2Cl)c2c1C(c1ccc(Oc3ccccc3)cc1)SC(C)C(=O)N2,CHEMBL2037332
+O[C@@]1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21,CHEMBL3682509
+Cc1ccc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)c(F)c1,bindingdb_654239
+O=C1O[C@H]2CN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)C[C@H]2O1,bindingdb_654861
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)Nc4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019131
+CC(=O)N1CCC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)(c2ccccc2)CC1,bindingdb_647977
+Cc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672461
+NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2,CHEMBL1924002
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC(F)(F)C3)cc2C(F)(F)F)s1,bindingdb_1182910
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCCC4)ccc23)CC1,bindingdb_648389
+COc1ccc(NC(=O)c2noc3c2CCC3)cc1,CHEMBL1412123
+CN(C)CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1,CHEMBL23698
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4oc(C(F)(F)F)nc4c3)C[C@@]21C,CHEMBL1950697
+CC1=CC(C)(C)Nc2ccc3c(c21)Cc1ccccc1-3,CHEMBL92730
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccccn4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018666
+O=C(NS(=O)(=O)C1CCOCC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018119
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC#N)O2)C(F)(F)F,bindingdb_648978
+CC(=O)Nc1ccc(SC[C@@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL123750
+COc1ccc(NC(=S)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1,CHEMBL465748
+O=C(NS(=O)(=O)CCOC(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018140
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652381
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)c4ccccc4)cc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl,CHEMBL3640892
+COc1ccc(-c2nc(-c3ccccc3)no2)cc1,CHEMBL3589968
+Cc1c(F)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_404010
+O=C(Cc1ccc(S(=O)(=O)CCO)cc1)Nc1ccc2c(c1)nc(C(F)(F)F)n2Cc1cccc2c1OC(F)(F)O2,bindingdb_270960
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3Oc3ccc(OC(F)(F)F)cc3)cs2)cc1,CHEMBL4170500
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(C(=O)O)C1CC1,CHEMBL372519
+OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(F)cc3)c(Cl)c2c1,bindingdb_1184274
+Oc1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1,CHEMBL471626
+CNS(=O)(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654094
+COc1ccccc1-c1noc(-c2ccco2)n1,bindingdb_999880
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,DB11619
+CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1,bindingdb_539916
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C1)C2,bindingdb_652958
+CC(C)c1ccc(-n2cc(Cc3ccccc3O)nn2)cc1,CHEMBL2381351
+CCOC(Cc1ccc(C(=O)OCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,bindingdb_988879
+Cc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CCCO2)ccc1-n1cnnn1,CHEMBL1399420
+O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1,CHEMBL3588865
+CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(OCCCCC(=O)NO)cc1,CHEMBL4238322
+CCO[C@H](Cc1ccc(OC/C=C/C#CC#C/C=C/COc2ccc(C[C@@H](OCC)C(=O)O)cc2)cc1)C(=O)O,CHEMBL2112994
+Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1,CHEMBL2316542
+Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL465539
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(C(F)(F)F)c3)c2)c(Br)c1,CHEMBL235384
+CCn1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_651500
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CCC(C(=O)O)C(O)C2)c2ccccn12,bindingdb_998363
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018128
+CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL122975
+Cc1nc2c(C#N)cccc2nc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,CHEMBL1093915
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cn1ccnn1,bindingdb_654514
+Cc1cc(/C(=N/OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C2CCCCC2)ccc1OCC(=O)O,CHEMBL1644304
+Cc1c(O)cc(O)c2c(=O)n(-c3ccc(O)cc3)cnc12,CHEMBL381720
+CCOc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1OC(F)F,bindingdb_760466
+Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1,bindingdb_55554
+CC(C)=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963510
+CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cc3)c(=O)n([C@H](C)CC)c2n1,bindingdb_648104
+O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(-n3cccn3)nc2)nc2cc(F)c(F)cc21,bindingdb_846212
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)cc(Cl)cc1Cl,CHEMBL518451
+O=C1CC(NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CCN1,bindingdb_650945
+Cc1cc(Oc2ccc3nc(COc4cccc(C#N)c4)n(C)c3c2)cc(C)c1N,CHEMBL4300917
+Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc(Cl)c(F)c3)cc21,CHEMBL4167180
+CC1(C)[C@H]2CC[C@]1(c1cc(-n3ccc(CCS(C)(=O)=O)n3)nc(-n3cnc(CCS(C)(=O)=O)n3)c1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650834
+O=C(O)c1ccc2nc(N3CCCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)sc2c1,CHEMBL4062220
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccc4ccccc34)cc12,CHEMBL3695848
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC(=O)N1CCC(O)(CO)C1,bindingdb_655014
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N[C@@H]4CCC[C@H]4O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017533
+O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1CC1CCCCC1,CHEMBL1090463
+Cn1cncc1[C@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(CC(F)(F)F)c(N3CCC3)c2c1,bindingdb_654189
+COc1ccc(CCNC(=O)COC(=O)c2cccn2C)cc1,bindingdb_1772
+CCOC(=O)C1=CN(C(=O)c2ccc(OC)cc2)CC(C)c2c1[nH]c1ccccc21,CHEMBL509416
+CC(C)(C)OC(=O)n1c(-c2ccc(CCCNC(=O)c3ccccc3)cc2)cc2ccccc21,CHEMBL234591
+Nc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1,CHEMBL4276720
+CC1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC1,bindingdb_649727
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1184272
+Cc1cc(SCc2nsc(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OC(C)(C)C(=O)O,CHEMBL232597
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3cncnc3C(C)C)nc21,bindingdb_652665
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3Cl)cc12,CHEMBL3695892
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1,bindingdb_511454
+COc1cccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1,CHEMBL1088515
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CC[S@@](C)(=N)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652966
+CC(C)N(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1,CHEMBL4161754
+O=C1C=C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2(Cc2ccccc2)CC1,CHEMBL247418
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3nn(C)cc23)cc1,bindingdb_270596
+CC(C)(C)c1cc(OC(=O)/C=C/c2ccccc2)ccc1O,CHEMBL3613278
+CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O,CHEMBL195021
+CS(=O)(=O)c1cc(Cl)cc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL602446
+CC1(C)CCC(C)(C)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4)o3)cnc21,CHEMBL132033
+C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C,CHEMBL400582
+COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(C)cc3)oc2C)ccc1F,CHEMBL3827378
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1COCCO)O2)C(C)=CC(C)(C)N3,CHEMBL243469
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2c(O)cccc21,bindingdb_107869
+CCNc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1,bindingdb_404063
+CC1=C(c2cccc(O)c2)[C@H](c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4164133
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(N)=O,CHEMBL483096
+CC(C)CN(Cc1ccc(N[C@H]2CC[C@@H](O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_646679
+CCN(CC)C(=O)c1nc(C(=O)NC2COC2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_646325
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F,bindingdb_401791
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3ccc(C(=O)OC)cc3)cs2)cc1,CHEMBL4168454
+O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1cccnc1,CHEMBL2441097
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@@H]2CCCC2(F)F)cc1OC,bindingdb_1183644
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCOC3)CC1,bindingdb_652812
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)cn1,CHEMBL124421
+Cc1cc(S(=O)(=O)N2C[C@H](C[C@H](C(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647539
+O[C@@H]1[C@H](O)CS[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL413686
+O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1,CHEMBL3263233
+COC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCC(CO)CC1,bindingdb_653165
+CN1C(=O)COc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc21,bindingdb_402550
+Cc1c(C)n(Cc2cccc(OCC(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678112
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,DB00132
+CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)[nH]n1,bindingdb_475705
+O=C(O)c1cnn(CC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1C(F)F,bindingdb_1018929
+Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2OCC1,bindingdb_401831
+CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4COC4)CC3)cc2O1,bindingdb_1127374
+C=CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12,bindingdb_430634
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5cnc(C6CC6)nc5)c4)(CC2)CC3)no1,bindingdb_1017520
+CCCc1c(OCCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12,CHEMBL177831
+Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1,CHEMBL196590
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC(C)C)CC[C@@H]23)C[C@@H](O)/C(=C\CCO)[C@@H]1O,CHEMBL1830167
+O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc2ccccc2c1,CHEMBL4098241
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cn2)nc2cnc(-c3c(C)nc(N)nc3C3CC3)nc21,bindingdb_648897
+Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccccn2)C3)cc1,CHEMBL403173
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NS(=O)(=O)C(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018964
+Cc1c(CC(=O)O)ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1C,CHEMBL253521
+CCN(CC)CCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21,CHEMBL1481581
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(F)(F)CC1,bindingdb_651792
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H]3CCC[C@@H]3C)CC1)cn2C,bindingdb_645674
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccc([N+](=O)[O-])c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1019003
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3cccc(C(C)C)c3)cc12,CHEMBL3695904
+O=C(O)c1csc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1017901
+O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cncc(Br)c1,CHEMBL1732228
+Cc1ccc(N=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1,CHEMBL3234616
+CCOc1ncc(-c2cccc(N(CC34CCC(c5nc(C(C)(C)C)no5)(CC3)CC4)C(=O)C3(C)COC3)c2)cn1,bindingdb_1018766
+Cc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1,bindingdb_1000086
+CC(C)(C#N)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648913
+O=C(Cc1cncnc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646781
+OCc1ccc(/N=N/c2ccccc2)cc1,bindingdb_999752
+C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_401331
+C=CCSC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL396997
+CC(C)OC(=O)C1CN(C(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL565981
+CN1C(=O)C2C=CC1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21,CHEMBL183173
+Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21,bindingdb_91253
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2-c2ccccc2)c2ccccc12,bindingdb_649794
+CS(=O)(=O)c1cccc(N2CCN(Cc3cccnc3)C(c3ccccc3)C2)c1,bindingdb_108426
+Cc1ccc2nc(SCC(=O)NCc3cccs3)c(C#N)cc2c1,bindingdb_1026208
+COc1ccc2c(c1)c(CC(N)=O)c(C)n2Cc1ccccc1,bindingdb_1004517
+Cc1ccc(CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C#N)cc2)cc1,CHEMBL4070835
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccc(F)cc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_653201
+N#CCCc1ccc(-c2cc3ccccc3n2C(=O)c2ccccc2)cc1,CHEMBL392996
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC4(CCCO4)C2)C3)CC1,bindingdb_646568
+CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1,bindingdb_91214
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CCC3)cc2)Oc2ccc(O)cc21,CHEMBL4159755
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccc(Cl)cc1,CHEMBL567027
+O=C(O)/C=C/c1ccc(Nc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL4076526
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(CC(F)(F)F)cc4CCC23)CC1,bindingdb_646555
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccc(C)cc3)C[C@H]1CCc1cc(O)ccc12,CHEMBL3421875
+Cc1ccc(C(=O)OCC(C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1,CHEMBL375445
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(C)(C)C,bindingdb_1184170
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cnoc4)ccc3[nH]2)C1=O,CHEMBL3578283
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(N(C)C)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263665
+Oc1ccc(C2C(c3cc(O)cc(O)c3)=C(Cc3ccc(Cl)cc3)c3cc(O)cc(O)c32)cc1,CHEMBL3617358
+CCn1ncc2c(Cl)c(C(=O)NCc3ccc(C)cc3C)cnc21,CHEMBL1093602
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC(C(C)(C)C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,bindingdb_654458
+CSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1,bindingdb_1000222
+Cn1c(=O)c(/C=C/c2ccccc2)nc2ccccc21,bindingdb_999947
+CC1(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1,CHEMBL100763
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3797522
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C,CHEMBL550258
+O=c1c2c(O)cc(O)cc2c(Cl)cn1-c1ccc(O)cc1,bindingdb_1157655
+C=C1C[C@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C(=C)[C@H](O)C4)CCC[C@]23C)OC1=O,CHEMBL263638
+CC(=O)NCC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC(C)(C)C)ccc2O1,bindingdb_646864
+Cc1ccc(C#C[C@]2(O)CC[C@H]3[C@@H]4OCC5=CC(=O)CCC5=C4[C@@H](c4ccc(N(C)C)cc4)C[C@@]32C)cc1,CHEMBL232223
+CC(C)(CC(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL372368
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(O)cc3)c(Cl)c12,bindingdb_417319
+Cc1cc(C)c(S(=O)(=O)NC(C)Cc2c[nH]c3cc(F)ccc23)c(C)c1,CHEMBL388432
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_652839
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(C3CCOCC3)cc(C(=O)O)cc2s1,bindingdb_1017512
+O=C(O)C1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1,bindingdb_648329
+O=C(c1cscn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3735008
+O=C(c1cccs1)C1CCN(c2ncnc3sccc23)CC1,bindingdb_539894
+CCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4278109
+Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)c2c(c1)NC(=O)CO2,CHEMBL1929041
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCc2ccccc2C1,CHEMBL1595423
+COc1ccc(-c2nc3ccccn3c2Cl)cc1,bindingdb_672363
+COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)C(C)C)c1,bindingdb_292595
+O=C(Oc1cccc2c(O)cccc12)c1ccccc1,CHEMBL1588408
+CCC[C@@H]1C2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]2[C@@H]1O,CHEMBL3138184
+COc1c(C(=O)O)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2OCC1,bindingdb_17457
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4cccc(C5CC5)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_645626
+COC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C#N)cc4n3C)c2Cl)CC1,bindingdb_206460
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)C)C(=O)CO,CHEMBL497472
+C[C@]1(C(=O)OCc2ccccc2)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,CHEMBL427183
+O=C1CC(c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21,bindingdb_401361
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4nc5c(s4)CCCC5)cc3)ccc21,CHEMBL375812
+CCN(CC)C(=O)c1nc(C(=O)NCC2(O)COC2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_646847
+CCc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cc(C)ccc1OC,bindingdb_356294
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)ccc(F)c3F)cc12,CHEMBL3699382
+CC(=O)Nc1ccc([N-]c2cc([N+](=O)[O-])cc(Cl)[n+]2O)cc1,bindingdb_292588
+O=C(NCc1cccs1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1,CHEMBL3678090
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2Cc2cccc(C(=O)O)c2)c1,CHEMBL562086
+CCCCCCCCCCCCNCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C,CHEMBL4161714
+COC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@]23CCOC3)cc1F,CHEMBL3589383
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1,CHEMBL3581683
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(C)=O)cc2)[C@H]3C(C)C)cc1,bindingdb_270895
+CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,bindingdb_1175409
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL229210
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C)c(F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263901
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1[C@H](O)C[C@@]2(O)CCc1ccc(F)cc1C(N)=O,CHEMBL2147629
+CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1,bindingdb_404180
+C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,DB01431
+Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(F)(F)F)c2)c1,CHEMBL596593
+Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)ccc2c1,CHEMBL244205
+CCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1,bindingdb_69328
+Cc1ccc(C)c2oc(-c3noc(-c4ccc(C(=O)O)cc4)n3)cc12,bindingdb_965500
+COC(=O)c1sc2nc(-c3ccco3)ccc2c1N,CHEMBL1334570
+CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2,CHEMBL1911656
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cn[nH]c1,bindingdb_653052
+CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL563824
+COc1ccccc1[C@H](c1cccc2ccccc12)[C@@](C)(C#N)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1,CHEMBL238890
+Cc1cccc(Cl)c1NC(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1,bindingdb_539925
+COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1082115
+CC(C)CN1[C@H](c2ccc(OCCNCCC(F)F)cc2)c2[nH]c3ccccc3c2C[C@H]1C,bindingdb_402762
+CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1,CHEMBL3959627
+CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,bindingdb_87217
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4cscn4)ccc23)cc1,bindingdb_654952
+O=C(O)c1ccccc1Nc1ccc(Sc2ccccc2)cc1,bindingdb_475599
+O=C1c2ccccc2C(=O)N1c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1,CHEMBL1403448
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,CHEMBL233369
+Cn1c(=O)[nH]c(N2CCN(c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL438503
+COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126840
+O=C1CC(c2ccco2)CC(=O)C1=CNc1cc(Cl)ccc1O,bindingdb_401305
+O=C(O)Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21,CHEMBL393767
+C[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1)C(C)(C)C,bindingdb_648140
+NC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648469
+Cc1ccc(C=C2SC(N)=NC2=O)s1,bindingdb_112098
+C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)C2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C21S(=O)(=O)c1ccc(F)cc1,bindingdb_651736
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCS(=O)(=O)CC2)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F,bindingdb_1183998
+COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)cc1OC,CHEMBL1345862
+CNC(=O)c1cc(C)c2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n(C)c2c1,bindingdb_206602
+CCC1=[N+](C)CCn2c(C)ccc21,CHEMBL1619197
+CCN(C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL249874
+CCCCCCSc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1Cl,CHEMBL559522
+CC(C)[C@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)cc1,bindingdb_125936
+CCC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1,3w5t
+CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1,CHEMBL206192
+Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1,CHEMBL1549333
+O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4ccccc34)c2)cc1,bindingdb_757525
+CN(Cc1ccccc1OCc1cccc(OCC(=O)O)c1)C(=O)c1ccc(-c2ccco2)cc1,bindingdb_1002253
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018779
+CC(C)(C)c1ccc(CN=Nc2ccc(C(=O)O)cc2)cc1,bindingdb_35514
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1,bindingdb_112257
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCCCOCC(F)(F)F)cc1OC,bindingdb_1182981
+COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1,bindingdb_961305
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC2[C@@H](O)c1csc2ccccc12,CHEMBL572356
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)c(F)c2)CC1,CHEMBL3581544
+CCc1nc2ccc([C@](O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(C#N)c1OCC1CC1,bindingdb_646880
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(=O)Cc3ccccc3)c1)CCC2,CHEMBL2312266
+CC(C)=CCc1c([C@H]2CCc3ccc(O)cc3O2)cc(O)c(O)c1CC=C(C)C,CHEMBL1083326
+Cc1ccnc(Nc2nc(-c3sc(C)nc3C)cs2)c1,bindingdb_539847
+CO[C@H]1CC[C@@H](CN2CCN(c3ccc(CO)c(S(C)(=O)=O)c3)C[C@@H]2C(C)C)CC1,bindingdb_1143345
+COc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596624
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1,CHEMBL477095
+C[C@]12C[C@H](c3ccc4c(c3)OCO4)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#CC1CC1,bindingdb_168575
+CC1(C)[C@H]2CC[C@]1(c1cccc(-n3cnc(CC4CS(=O)(=O)C4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652359
+COc1c(C(=O)O)cccc1-c1noc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1018527
+CC1(C)[C@H]2CC[C@]1(CN(CC(F)F)C(=O)c1ccc(=O)[nH]n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653024
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)nc(-c4ccccc4)c3CC[C@H]12,bindingdb_653700
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CO2)[C@H]3C(C)C)cc1,bindingdb_270700
+CCc1oncc1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CN(C[C@@H](F)C(C)(C)O)C3=O)CC1,bindingdb_1127438
+C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL125663
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(OC4CCCC4)c3CC[C@H]12,bindingdb_650304
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1C[C@@H](O)[C@@H](O)C1,bindingdb_650609
+O=S(=O)(c1ccc(F)cc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCCC2)C1,CHEMBL410037
+CC1CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,CHEMBL293409
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O,CHEMBL2031955
+Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(=O)O,CHEMBL236218
+NC1(C(=O)NC[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)COC1,bindingdb_648397
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2c(F)cc(NC(=O)OC(C)(C)C)cc21,bindingdb_647798
+CN1CCCC12CN(C(=O)C1CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C1)C2,bindingdb_645159
+CC[C@@H]1CCCCN1/C(S)=N/c1cc(Cl)ccc1C,CHEMBL198082
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F,CHEMBL1254079
+O=C(O)c1cc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)[nH]n1,bindingdb_654225
+CC(=O)C1(C(C)=O)Cc2ccc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2C1,CHEMBL1094732
+CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O,CHEMBL501711
+CC(C)(Oc1ccc(CCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204693
+Oc1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCCN3CCCCCC3)cc2)Oc2ccccc21,CHEMBL1082539
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OC4CCOCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650797
+COc1cc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc(OC)c1,CHEMBL1459124
+C[C@](O)(CSc1ccc(NC(=O)C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL126154
+CCOC(Cc1ccc(OCCN2CC=C(c3cc(Cl)ccc3Cl)CC2)cc1)C(=O)O,CHEMBL490401
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CC1,bindingdb_645399
+CC(Cc1ccc(Oc2cc(N3CCN(c4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL550396
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OC/C=C/c3ccccc3)cs2)cc1,CHEMBL4160227
+O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1,CHEMBL178886
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL124497
+C[C@H](C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652625
+Cc1nn(C2CCOCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168500
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)NCc2ccccc2)c1,CHEMBL223379
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCCC2)cc1C(F)F,bindingdb_1182889
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCC(=O)NO)nn1,bindingdb_475632
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1,CHEMBL3921621
+O=C(NCCS(=O)(=O)O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018832
+CNS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650780
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)nc1,CHEMBL4165766
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNS(=O)(=O)c4cccc(N5CCCCC5)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_109226
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCCSC(F)(F)F)cc1OC,bindingdb_1183296
+C[C@@H](Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)c1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1,CHEMBL3601096
+Cc1cc(C(=O)NCC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2,CHEMBL2035882
+O=C(c1ccccc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646439
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Oc4ccc(N)cc4)cc3)O[C@]12C(=O)CO,bindingdb_417569
+CCCCCCOc1ccc(C(=O)CCn2ccnc2)cc1,CHEMBL560309
+CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1,CHEMBL141305
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCC)C[C@@]21C,CHEMBL3981243
+Cc1cc(N=Nc2ccc3ccccc3c2)ccc1O,bindingdb_999664
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2-c2cccc(C#N)c2)c2ccccc12,bindingdb_653657
+CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1,CHEMBL1469246
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cnccn2)cc1,CHEMBL2377531
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C(F)(F)F)c2=O)cc1,bindingdb_649101
+CCC1=N[C@H](c2ccc(OCCN3CCCCC3)cc2Cl)[C@H](c2ccc(O)cc2Cl)N1,CHEMBL195165
+CC(C)(C)c1cc(-c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1,CHEMBL4281062
+C[C@@]1(c2ccccc2)CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1004720
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C(O)C(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183888
+O=C(NCCc1c[nH]c2ccccc12)c1cnccn1,bindingdb_672534
+Oc1ccc2c(c1)O[C@@H](c1cccc(OCCN3CCSCC3)c1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087290
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc([C@](C)(O)CC(F)(F)F)cc1OC(F)F,bindingdb_1183584
+NC(=O)C(c1ccncc1)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988923
+C=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL363955
+CN1CC2N(C(=O)C3CCS(=O)(=O)CC3)CCC2(S(=O)(=O)c2cccc(F)c2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_645691
+C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)ccc(NCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_401374
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nnn(-c3ccccc3)c2C(=O)O)cc1,CHEMBL474550
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CCC(C)(O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183076
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(c5cccc(Cl)c5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4216231
+CN1C2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@@H]3C1CC2,bindingdb_760459
+c1csc(CN=Nc2nc3ccccc3s2)c1,bindingdb_672343
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C,bindingdb_54889
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CCC(C)C[C@@H]12,CHEMBL4171793
+CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21,CHEMBL3759448
+COc1ccccc1N1CCN(C(=O)CSCc2c(C)noc2C)CC1,bindingdb_25303
+CCc1nc2ccn(CC(=O)O)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322440
+O=C(O)c1cc(OC(F)F)c2cc(OCC34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1018871
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cc(O)cc4Cl)noc3C3CC3)sc2c1,bindingdb_1019035
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1,bindingdb_652119
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC[C@@H](O)C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699435
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3ccc(C(F)F)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654789
+CCOc1ncc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl,CHEMBL4161247
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ncccc2s1,CHEMBL1917255
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(C(F)(F)F)cc1,CHEMBL360248
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)c(Cl)c12,bindingdb_653251
+CC(=NOCc1ccc(F)cc1Cl)c1ccc(CC#N)s1,bindingdb_112220
+N#Cc1cc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)co1,CHEMBL280767
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC1(F)COC1,bindingdb_404110
+O=C(O)c1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393177
+[C-]#[N+]C(C)(C)CNC(=O)c1nc(C(=O)N(CC)CC)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c2Cl)s1,bindingdb_646052
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc(NC[C@@H](O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647156
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1OCC1CCCN1C,bindingdb_54902
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Br)cccc3C(F)(F)F)n3c2CCCC3)cc1O,bindingdb_998295
+COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1,bindingdb_584415
+CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O,bindingdb_112275
+O=C(N1CCO[C@@H](CO)C1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_646482
+COc1cccc(Cl)c1/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)c2cccc(C)c21,bindingdb_646193
+CCOc1nc2ccc(C(O)(c3cncs3)c3cncn3C)cc2cc1Cc1ccc(OC)cc1,bindingdb_1183420
+CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1F,CHEMBL3361039
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(I)c1,CHEMBL565150
+Cc1nc(NCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)sc1CC(=O)O,bindingdb_1018977
+Cc1cc(O)ccc1-c1ccc(-c2ccc(OCCN3CCCC3)cc2C)[se]1,CHEMBL4279069
+CC(=O)Nc1ccc(OC(C)C(F)(F)F)c(Cl)c1,CHEMBL4168494
+O=C(O)C1CC2CCC(C1)N2C(=O)[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651358
+C[C@H](C[C@H]1CN(S(=O)(=O)c2cn(C3CC3)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_651589
+C[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1)C1CCCC1,bindingdb_649066
+C[C@H]1CC[C@@](C)(c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_647498
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CC3Oc4cc(C(F)(C(F)(F)F)C(F)(F)F)ccc4C3(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649798
+Cc1cccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)c1,bindingdb_584359
+COc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)c(OC)c1,bindingdb_69145
+CS(=O)(=O)c1cccc(N2CCN(CC3(F)CCN(CC(F)(F)F)CC3)[C@H](c3ccccc3)C2)c1,bindingdb_125927
+CCc1ccc2nc(O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)cc2c1,CHEMBL1491959
+Cc1ccc(CN2CCN(Cc3cccc(OCCO)c3)CC2CCO)o1,bindingdb_112183
+C=CCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL8639
+COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C(F)(F)F)c1,bindingdb_402070
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270723
+C[C@]1(C(=O)O)CC[C@H](C(=O)N2CCCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_650354
+O=C(NCCS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018892
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-],CHEMBL2348902
+CCC(CC)(CC)c1cc(-c2ccc(/C=C/C(=O)O)cc2Cl)ccc1O,CHEMBL460351
+Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163812
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc4[nH]ccc4c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640908
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN(C)C)cc1,CHEMBL560510
+CC[C@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL247952
+O=C(O)c1ccc(-c2noc(C34CCC(CNc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1018375
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(n3cnnc3CC#N)CC2)cc1F,bindingdb_647221
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c2Cl)cc2ccc(OC(F)(F)F)cc21,bindingdb_206629
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640886
+C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL410478
+O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1,bindingdb_672440
+O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2C1=O,CHEMBL1990669
+N#Cc1ccc(CN(Cc2cccnc2)Cc2cc(F)ccc2F)s1,CHEMBL2381194
+Cn1cncc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4209998
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263878
+N#Cc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1,CHEMBL1642347
+CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1,bindingdb_257876
+CN(C)c1ccc(C#Cc2ccc3cc(CCO)oc(=O)c3c2)cc1,bindingdb_89258
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)C3)c1Cl)n2C,bindingdb_206496
+CC(C)NC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C,bindingdb_123908
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)nc1,bindingdb_511711
+CCN(c1cc(C)cc(C)c1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481152
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(OCC(=O)O)n1,bindingdb_654552
+Cn1ccc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc21,CHEMBL223629
+Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1,CHEMBL196742
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccc(F)cc3)c(Cl)c2c1,bindingdb_645495
+CCCC[C@]12CCC(=O)C(CC)=C1c1ccc3[nH]nnc3c1C2,CHEMBL377046
+Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(C(F)(F)F)cc4)c(C#N)c3c2)c2cnnn2C)c(C)n1,bindingdb_1183593
+CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1,CHEMBL481537
+Cc1cc(=O)oc2cc(O)c(-c3ccc(C#N)n3C)cc12,CHEMBL3975572
+CCc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1,bindingdb_672472
+CS(=O)(=O)c1cccc(Oc2cccc(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL595222
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC1,bindingdb_647494
+COc1ccc(C)cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651666
+Cc1ccc(F)c(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1,CHEMBL4164442
+Cc1ccc(CN2CCN(CC(C)C)C(CCO)C2)s1,bindingdb_1000083
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c(F)c2)CC1,bindingdb_654121
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2ncc(Cl)cc2F)[C@H]3C(C)C)cc1,bindingdb_270824
+O=C(NC1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1,bindingdb_653603
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)CC1(C#N)CC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649830
+Cc1csc(NC(=O)c2ccc3ccccc3n2)n1,bindingdb_672639
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCC2,bindingdb_652156
+COc1cccc(-c2noc(-c3cccnc3)n2)c1,bindingdb_982703
+CCOC(=O)N1c2ccccc2C=CC1OCC,bindingdb_961271
+CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1,CHEMBL1526624
+O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(O)cc1,CHEMBL4208749
+COc1ccc(C(=O)c2cccn2C/C=C/c2cccc(CC(=O)O)c2)cc1,CHEMBL1641710
+O=c1[nH]c2c(c(=O)[nH]1)C(c1cc3ccccc3n1Cc1ccccc1)c1c([nH]c(=O)[nH]c1=O)O2,CHEMBL4207948
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3ccc(C(=O)O)cc3c2)cc1,bindingdb_1019096
+Cn1c(SCc2ccccc2F)nc2cccnc21,bindingdb_982767
+CCCc1nc2cc(C(O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL1214886
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NOCc1ccccc1)O2,bindingdb_650444
+CC(C)(C)C(=O)NCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,bindingdb_18662
+Nc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1,bindingdb_1005058
+CC(C)c1onc(COc2ccc3ccccc3c2)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL512070
+Cc1cc(CCC(=O)O)ccc1OCCCN(Cc1cccs1)c1nc2ccc(Cl)cc2s1,CHEMBL247909
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1962560
+CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760417
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nnc(-c2ccccc2)o1,CHEMBL2024027
+CCCOC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1,CHEMBL2381364
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CC[C@@H](C(=O)O)[C@@H](C)C3)c1Cl)n2C,bindingdb_206471
+C[Si](C)(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1,CHEMBL4242807
+CC(C)C1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL523825
+Cc1ccc(-c2nnc(Nc3ccccc3)[nH]2)cc1,bindingdb_999863
+Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3cccc4ccccc34)n2)c1C,CHEMBL455936
+CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)OC(C)(C(=O)O)CC2,CHEMBL110071
+C/C(=C/c1oc2ccc(O)cc2c1[N+](=O)[O-])N(C)C,CHEMBL1564105
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CC(F)(F)C1,bindingdb_654477
+O=C(O)c1c(F)cc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1017441
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3cccc(C)c3)n2)c1,CHEMBL1087582
+COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)O,CHEMBL426878
+O=C(COC(=O)c1sc2ccccc2c1Cl)NC1CCCCC1,bindingdb_112112
+CN(C)c1ccc(NC(=O)N2CCOCC2)cc1,CHEMBL1488584
+CCCC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2,CHEMBL377644
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccnc(OCCNCCCF)c2)N1CC(F)(F)F,bindingdb_401498
+C[C@@H]1C[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)C[C@H](C)S1(=O)=O,bindingdb_647595
+Oc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1,CHEMBL200021
+Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(F)C(=O)O,CHEMBL1927473
+Oc1ccc2c(c1)SCC(c1ccc3c(c1)OCCO3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401407
+COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3CO)cc2)cc1,CHEMBL429671
+CN(Cc1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1)S(C)(=O)=O,bindingdb_647727
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(-c2ccccc2)nc1,bindingdb_653764
+CN1C[C@@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL551885
+CCCCCCC1=Cc2c/c(=C3/NN=C(c4ccccc4)O3)c(=O)oc2=CC1=O,bindingdb_403165
+Cc1ccccc1NNC1=c2ccccc2=NC1=O,bindingdb_999771
+CCC1OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419308
+C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401367
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccccc3)C[C@@]21C,CHEMBL3966490
+N#Cc1ccc(-n2c(=O)n(Cc3ccccc3)c3ncccc32)cc1C(F)(F)F,CHEMBL2011372
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccc(Cl)c(Cl)c3)c2)cc1,CHEMBL3109324
+COc1cc(C#N)cc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)[C@H](C)C(C)(C)C)CC4)cn3C)c2C)c1,bindingdb_645391
+CCS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)cc1,bindingdb_645526
+CCN1CCC(n2ncc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_168542
+COc1ccnc(Oc2ccccc2)c1C(=O)NC=NOCc1ccccc1F,bindingdb_1745
+COc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2C)cc1,CHEMBL1081603
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1080366
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(OC)c1OC,CHEMBL1760404
+Cc1ccc(C(=O)c2cccn2C/C=C/c2cccc(OCC(=O)O)c2)cc1,CHEMBL1641718
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NC3CCNC(=O)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_55038
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183667
+Cc1ccc(N2CCN([C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)C(=O)O)CC2)cc1,CHEMBL1090860
+CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1,CHEMBL3707313
+O=S(=O)(c1ccccc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12,bindingdb_112202
+COCc1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(=O)O)c1,bindingdb_1017639
+O=C(O)c1c(F)ccc2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc12,bindingdb_1017931
+O=C(O)c1ccnc(C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1017833
+CC[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL178559
+COc1ccc(NC(=O)NC(C)C2CC3CCC2C3)cc1,bindingdb_672369
+CCn1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184174
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(ncn2Cc2ccccc2)c1Cl,bindingdb_417518
+Cc1cc(NCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,CHEMBL485758
+O=C1CN(C(=O)CNc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)c2ccccc2N1,CHEMBL3977442
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(C4CCNCC4)nc(-c4ccccc4)c3CC[C@H]12,bindingdb_652762
+CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)O,CHEMBL318351
+Cc1cc(S[C@H](Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4249571
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647835
+CN(Cc1ccccc1OCCC/C=C/C(=O)O)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL4212837
+Cc1cc(O)ccc1-c1nn(C(C)C)c2c(C(F)(F)F)cccc12,CHEMBL222580
+CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1,CHEMBL3695787
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc31)CCC2,bindingdb_654880
+CCn1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647543
+O=C(O)c1ccc([C@H]2C[C@](O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1,CHEMBL3823938
+CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,DB01410
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(OCC(=O)O)c1Cl)n2C,bindingdb_650947
+C[C@H](c1c(Cl)cccc1C(F)(F)F)n1nc(-c2ccc(C(=O)O)cc2F)c2c(F)cccc21,bindingdb_649812
+CCO[C@@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)NOC,bindingdb_949603
+Cc1noc(C)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CC[C@H](O)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_651767
+N#Cc1ccc(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)c2ccccc12,CHEMBL3084525
+Cc1ccccc1C(=O)c1ccccc1NC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL146355
+COc1cc2c(cc1NC(=O)c1cnn3ccc(N)nc13)CC(C)(C)O2,bindingdb_1127376
+Cn1c2c(c3cc(O)ccc31)CSc1cc(F)ccc1-2,CHEMBL207168
+CC1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F,CHEMBL2070093
+CN1CCCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1,CHEMBL121879
+O=C(O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4OC(F)F)noc2C2CC2)C3)c(F)c1,bindingdb_1018733
+CC1=C(/C=C/C#Cc2ccc(C(=O)O)cc2)C(C)(C)CCC1,CHEMBL151870
+COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1,CHEMBL1466913
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C[C@@](C)(O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646621
+O=C(NCCS(=O)(=O)O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018925
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183008
+COc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1,bindingdb_1000041
+Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)c3ccc(N)cc3)c2)cc1C,bindingdb_34150
+Cn1c(C#N)ccc1-c1ccc(NS(C)(=O)=O)cc1F,CHEMBL2203833
+Cc1occc1C(=O)NCCCc1ccccc1,CHEMBL1442518
+C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1C[C@H](C)C(=O)O,bindingdb_403085
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1Cl,CHEMBL298187
+CC1=CCC(COC(=O)Nc2ccccc2)CC1,bindingdb_982701
+Cc1ccc2cc(OCCCN3C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)ccc2[n+]1[O-],bindingdb_511750
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)[C@H](C)N(Cc2ccc(Cl)cc2)[C@H]3C(C)C)cc1,bindingdb_206275
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@]4(C)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_653133
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C(C)(C)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)F)n1,bindingdb_648279
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1F,bindingdb_649716
+COC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCC(C(=O)O)CC1,bindingdb_652831
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)c1,bindingdb_402628
+CCC(CC)(c1ccc(OCC(O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1269465
+Cc1nn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206269
+Cc1c(-c2ccc(O)cc2)n(CCCCCCN2CCCC2)c2ccc(O)cc12,CHEMBL46903
+COc1ccc(OCCOc2ccc(CC3=C(O)C(=O)c4ccccc4C3=O)cc2)cc1,CHEMBL482531
+CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322445
+O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(F)cc1,bindingdb_672453
+CC(Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)NC(C)c1ccccc1,bindingdb_292642
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CCO3)CC2)cc1F,bindingdb_649160
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(OC)c(OC)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017469
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OS(=O)(=O)O)c(OC)c2)ccc1O,DB14635
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1,bindingdb_1183795
+CC(C)(O)C(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653267
+NS(=O)(=O)c1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1,CHEMBL1487390
+CC(=O)NCCCN(C)CCCNC(=S)NCCSCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL552770
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OS(=O)(=O)O)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640889
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1F,bindingdb_1184299
+COc1ccc2sc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)cc2c1,CHEMBL401580
+C#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12,CHEMBL192016
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)C4CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018820
+C[C@H](NC(=O)c1cc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCCCC2)cc(C2(C)CC2)c1)C(F)(F)F,bindingdb_646445
+O=S1(=O)[C@@H](c2ccccc2)CCCCN1Cc1cc(F)c(N2C[C@@H]3[C@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_648538
+C=CC[S+]([O-])CC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL388170
+COc1cc(C2c3ccc(N(C)C)cc3OC(=N)C2C#N)cc2c1OCO2,bindingdb_69014
+COc1nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OC(C)C,bindingdb_648955
+CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1,bindingdb_292599
+Cc1cc(C#N)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(O)CC3)c1Cl)n2C,bindingdb_206247
+O=C(C(O)CO)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650889
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CC1NC(=O)c2ccccc21,bindingdb_653032
+CCCCc1ccc(-c2nc(CCOc3ccc4c(c3)CCC4C(CC)C(=O)O)c(C)o2)cc1,CHEMBL369930
+CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL382514
+COc1ccc(C(NC(=O)c2ccc(O)nc2)C(=O)Nc2ccc(C(C)C)cc2)cc1,CHEMBL1499470
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCOC1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651696
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(OCCNCCCF)cn2)N1CC(F)F,bindingdb_403635
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccccn4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_651608
+O=C(NCc1ccccn1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl,CHEMBL1359865
+COc1ccc(CNc2ncnc3ccccc23)cc1,bindingdb_539986
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3cccc(CC(C)(C)OC=O)n3)nc2CC2CCC2)c2ccncc12)C(F)(F)F,bindingdb_651299
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4Cl)cc3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511831
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)c(F)c1,bindingdb_511815
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCC(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018323
+Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1C(C)CO,bindingdb_475612
+CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(C(F)(F)F)cc2)cc1O,CHEMBL2031857
+COc1ccc2c(c1)CCN(C(=O)CC(C)CC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4217478
+CCn1c2ccccc2c2cc(NC(=O)CNC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21,CHEMBL4210109
+CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc([N+](=O)[O-])ccc2N1,CHEMBL1910417
+CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1,CHEMBL1594663
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)(F)F,bindingdb_402347
+Oc1cccc(N2CCc3cc(O)ccc3C2c2ccc(N3CCN(C4CCCC4)CC3)cc2)c1,CHEMBL195466
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl,CHEMBL233660
+CC1CCN(C(=O)c2nc(C(=O)NC3CC34CCOCC4)sc2-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)CC1,bindingdb_651744
+O=C(O)c1cc(C23CCC(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)(CC2)CO3)ccc1F,bindingdb_1019059
+Cc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12,bindingdb_539792
+COC(=O)c1ccc2nc(-c3cccc(N)c3)cn2c1,bindingdb_69079
+CC1CC(C)CN(C(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)C1,CHEMBL1570005
+O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F,CHEMBL3617300
+COc1cccc(C(=O)N(C)c2ccc(Oc3ccc(O)cc3)c(C)c2)c1,CHEMBL4168648
+Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL258832
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263700
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccc(CS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649542
+CCN1CCC(Cc2ccc(C(=O)CCN(C)C)cc2)CC1,CHEMBL551244
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(OCC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017935
+Oc1ccc(-c2cc3cc(O)cc(Cl)c3o2)cc1,CHEMBL184448
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cn[nH]c4)ccc3[nH]2)C1=O,CHEMBL3578281
+CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(C)(=O)=O,CHEMBL2153842
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(OCc3ccccc3)c2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL147912
+O=C(c1cc(-c2ccco2)on1)N1CCCc2ccccc21,CHEMBL1438401
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1,CHEMBL389795
+NCC1(O)CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653849
+O=C(O)c1cc(C2CCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1018970
+Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1,bindingdb_1026170
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(C(F)(F)F)cc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146217
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCN(C2COC2)CC1,bindingdb_647916
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCCN3CCCC3)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL602494
+CC(C)[C@H]1c2ncc(C(=O)NCCC3CN(C(=O)OC(C)(C)C)C3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123956
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CN(c2cccc(C(=O)O)c2)CCO1,CHEMBL1934314
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(-c4ccccc4)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_652529
+CC(=O)O[C@@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O,CHEMBL3632952
+CC(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206451
+CCn1cc(S(=O)(=O)N2C[C@H](CCc3n[nH]c(=O)o3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647052
+O=C(O)C12CCC(C(=O)N3CC[C@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@H]34)(CC1)CC2,bindingdb_647256
+CC([NH+]=Nc1ccccc1[N+](=O)[O-])[c-]1ccccc1=O,bindingdb_999999
+O=C(NN=Cc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12,bindingdb_526105
+CCCc1c(OCCCN2C(=O)CSC2=O)ccc2c(C(F)(F)F)noc12,CHEMBL3403715
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)C(F)(F)F)O2,bindingdb_649009
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C4CN(C(=O)C(F)(F)F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)n1,bindingdb_1017453
+Cc1cc(OC(F)(F)F)cc2ccn(C(=O)c3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)c12,bindingdb_206621
+C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,CHEMBL2022651
+COc1ccc(C(=O)NCCC2=CCCCC2)cc1,bindingdb_69104
+Cc1ccc(CN(C(=O)c2cc3cc(F)ccc3[nH]2)C(C)C)o1,CHEMBL3318065
+CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(F)cc2)cc1,bindingdb_55580
+CC[C@@H](Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2OC)cc1)C(=O)O,CHEMBL1813200
+CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)COC)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645751
+N#Cc1ccc(N2CCc3c(ncnc3Nc3cccc(-c4ccccc4)c3)C2)cc1C(F)(F)F,bindingdb_475902
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(CCN3CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4227543
+CC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1,CHEMBL3422033
+Cc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c1C,bindingdb_69232
+Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)c(C)c1,CHEMBL4070169
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(OC)c1-c1ccccc1,CHEMBL4091706
+CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1184067
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(F)cccc34)c2)c1,CHEMBL593740
+Cc1ccc(-n2[nH]c(C)c(C=Nn3c(C)nc4ccccc4c3=O)c2=O)cc1,bindingdb_830877
+CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,bindingdb_1004518
+CN1C(=O)CC[C@H]1C(=O)N1CCC2(S(=O)(=O)c3cccc(F)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_654220
+CC1=CC[C@]2(CO)CO[C@H](c3ccc(O)cc3)[C@H]1C2,DB07086
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)[C@H](c3ccccc3Cl)C2)c1,bindingdb_1004636
+CC(C)(C)OC(=O)n1c(-c2ccc(CCCO)cc2)cc2ccccc21,CHEMBL234387
+O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL3931396
+COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(=O)O)c3)cc2)cc1,CHEMBL4240680
+COc1ccc(Cl)cc1-c1ncc(C(=O)c2ccc(C(C)(C)C)cc2)n1C,bindingdb_356333
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC=CC1,bindingdb_652417
+O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4C5CCC4CC4(CCCO4)C5)c3)c(Cl)c2)c(=O)[nH]1,CHEMBL125946
+Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1,bindingdb_961310
+Cc1ccc(C2=CCC(C)(C)c3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)s1,CHEMBL165417
+COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1,bindingdb_292593
+CC1(C)[C@H]2CC[C@]1(c1cncc(-n3cnc(C(CO)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647593
+Fc1ccccc1CN=Nc1ncnc2ccccc12,bindingdb_672622
+Sc1nnc(-c2cc(-c3ccco3)[nH]n2)n1-c1ccccc1Cl,CHEMBL1588434
+Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)O,CHEMBL3335660
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CC(=O)O)c2)cc1,CHEMBL3335653
+COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1,CHEMBL1645401
+O/N=C/c1ccc(-c2ccc(O)cc2)c2sccc12,CHEMBL231811
+Cc1nn(Cc2cc3n(n2)CCC3)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168544
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1ccc(F)cc1)O2,bindingdb_648521
+Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCCC4)cc3Cl)[se]2)c(Cl)c1,CHEMBL4282141
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(OCCc3ccccc3)cc2)c1)C(=O)O,CHEMBL118483
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cc(F)cc(OC)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263641
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(C)(C)NC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647577
+CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1,CHEMBL2426158
+COC(c1ccc(C)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,CHEMBL3103194
+CCc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1,bindingdb_950140
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(Cl)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649374
+Cc1cc(OCc2nc(-c3ccc(NS(C)(=O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1080873
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccccc2OC)C1=O,CHEMBL3590274
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(SC)cc3)C[C@@]21C,CHEMBL218214
+O=C(O)C(Cc1ccccc1)Oc1ccc(C#Cc2ccccc2)cc1,CHEMBL574606
+Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206567
+Cc1cccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3n[nH]cc3c2=O)c1,bindingdb_831314
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCCC1)c1ccccc1CC2,CHEMBL3765099
+COc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1,CHEMBL2381476
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)cc(F)c2O1,bindingdb_651444
+C[C@H](O)Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_650872
+CC(C)(O)C(=O)NC[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651318
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1(C(N)=O)CC1,bindingdb_653339
+CC(C)(O)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1,bindingdb_999989
+O=C(CN1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1,bindingdb_91304
+c1ccc(N=C2N=C(Nc3ccccn3)c3ccccc32)nc1,bindingdb_584310
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC(CC#N)O2,bindingdb_646682
+O=C(CC=Nc1ccccc1F)c1cccs1,bindingdb_672437
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(C(F)(F)F)CCC1,bindingdb_646071
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3800071
+COC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL3798627
+Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)N4CCCC(CO)C4)c3)c2c1,CHEMBL1668092
+CC(C)NC(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1,bindingdb_672542
+CCc1nc2ccc(C(=O)Nc3nnc(C)s3)cc2nc1CC,bindingdb_112081
+CCC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(C)=O)O2,bindingdb_646280
+N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,CHEMBL1476347
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc5ccccc45)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263592
+Oc1ccc(-c2csc(-c3ccc(O)cc3F)c2)c(F)c1,CHEMBL2332570
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1COC1=O,bindingdb_655061
+Cc1cnc(-c2ccc(OC(F)F)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002182
+CNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1,CHEMBL4169339
+Cc1ccc(CNc2ccc3c(c2)OCO3)cc1,CHEMBL1489356
+CC1(O)CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_647614
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@H]2COC[C@H]2O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183364
+CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-],CHEMBL2348867
+c1ccc2cc3[nH]c(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc3cc2c1,bindingdb_539833
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F,CHEMBL235480
+CCNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1,bindingdb_1184333
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cccc(C(F)(F)F)c2)c1)C12CC(F)(C1)C2,bindingdb_1018603
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)/C(=C/c5cnc(C6CC6)nc5)C[C@H]4[C@@H]3CC[C@@H]12,CHEMBL551270
+CC1(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CCC(C(=O)O)CC1,bindingdb_646376
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C)C2)cc1,CHEMBL272789
+CC(c1ccccc1C(F)(F)F)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_54961
+O=P(O)(O)Oc1ccc2c(c1)CCCC(c1ccc(OC(F)(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403868
+C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1,bindingdb_69041
+CN(CC#Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1,CHEMBL477941
+CCCCOc1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,bindingdb_583988
+CCCCCOc1cc2ccccc2cc1C(O)CCCCCCC(=O)O,CHEMBL1206089
+CC(C)CN(Cc1ccc(O[C@@H]2CCN(S(C)(=O)=O)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_648614
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cc(Br)cnc1Cl)C[C@H](CO)O2,bindingdb_645537
+O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1ccccc1Cl,CHEMBL457487
+CNC(=O)CC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645845
+CC1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(CC2CC2)cc1,CHEMBL4078937
+COC(=O)N1CCC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CC1,bindingdb_123995
+CC#CC1(O)CCCc2cc(-c3ccc(C#N)n3C)ccc21,CHEMBL1209232
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)c4cccc(C(C)(C)C)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018764
+COc1ccccc1C(=O)Nc1ccccn1,bindingdb_112153
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CC4(CC(CC(=O)O)C4)C3)c1Cl)n2C,bindingdb_206425
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C1CC1,bindingdb_1183145
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl,CHEMBL3093440
+Cc1cccc(OCCSc2nc3ccccc3n2C)c1,CHEMBL2316569
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1CCCO1)O2)C(F)(F)F,bindingdb_649254
+Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1,CHEMBL3208853
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(CN(C)C)c3)c(Oc3ccccc3C(F)(F)F)s2)cc1,CHEMBL3606028
+O=C(O)CC1=C/C(=C\c2ccccc2)c2ccc(F)cc21,CHEMBL455940
+Cc1c(N2CC[C@H](O)[C@@H]2C)ccc(C#N)c1Cl,CHEMBL4090028
+CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)O,CHEMBL489178
+OCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21,CHEMBL374799
+CCc1cn(CS(C)(=O)=O)c(CC)c1Oc1ccc(C#N)cc1,CHEMBL1083361
+Cc1ccc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cc1,CHEMBL1098849
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc12,CHEMBL3695885
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COc1ccc2ccccc2c1,CHEMBL2023244
+COC(=O)Cc1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F,bindingdb_646840
+CCC(OC)C(=O)N1Cc2cc(S(=O)(=O)NC)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645791
+CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CN)O1,bindingdb_168437
+CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322451
+OC1(C(F)(F)C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21,CHEMBL1290633
+O=C(O)c1cccc2nc(C34CCC(/C=C\c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)sc12,bindingdb_1017383
+C[C@@]1(CO)CCc2c(C3=CCC(C(=O)[O-])CC3)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_652911
+CC[C@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(OC)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_649081
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCNS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648308
+CCOC(=O)CSc1nc2cc(OCC)ccc2cc1C#N,bindingdb_1004970
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@@H]2COC[C@H]2O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1183649
+O=C(O)c1ccccc1Nc1ccccc1[N+](=O)[O-],bindingdb_93197
+CCCCCCOc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl,CHEMBL562247
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018151
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1,CHEMBL1504200
+CCCCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O,CHEMBL1172003
+Clc1cn(-c2csc(N3CCOCC3)n2)cn1,CHEMBL3323492
+O=c1ccc2cc(-c3ccccc3)ccc2o1,CHEMBL1650717
+COc1nc2ccc([C@@](O)(c3cnnn3C)C3CCOCC3)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653547
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL319915
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(F)c(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_648640
+C[C@](O)(Cn1cncc1Br)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475866
+Cn1c(C#N)ccc1-c1ccc(O)cc1C#N,CHEMBL4066319
+COc1ccc(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1,bindingdb_292633
+Cc1cc(OCC(=O)O)cc(C)c1Cc1cc(C#Cc2ccc(N)cc2)c(O)c(C(C)C)c1,CHEMBL110158
+CC(C)(O)c1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(Cl)c2)C3)nn1,bindingdb_476023
+CCCCc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)cc1,CHEMBL4065632
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cncc(-c5cnc(C6CC6)nc5)c4)(CC2)CC3)n1,bindingdb_1018286
+O=c1oc2ccccc2cc1-c1nc2c(s1)CCCC2,bindingdb_69204
+CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O,CHEMBL3094431
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]2C)cc1F,CHEMBL3589391
+Cc1cc(C)nc(/N=C(\N)Nc2ccc(N)cc2)n1,CHEMBL1406033
+Cn1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c2ccc(C(=O)O)cc21,bindingdb_1017495
+CC1(C)CCC(C)(C)c2cc(C3=Cc4ccc(C(=O)O)cc4OC3)ccc21,CHEMBL75848
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1c(F)cccc1F,bindingdb_653309
+CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)cc1,bindingdb_648623
+Oc1ccc(/N=C(\c2ccc(O)cc2)c2ccc(O)cc2O)cc1,CHEMBL3234637
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(C)C)cc12,CHEMBL3695880
+CCN(C(=O)Nc1ccc(C(C)C)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL250036
+CCC(CC)(c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1270848
+CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc(-c3ccccc3)oc12,CHEMBL371097
+CN1CCC(n2ncc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_168549
+O=C(C1CNC1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653042
+COc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1,bindingdb_760412
+Cc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402100
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,CHEMBL3905654
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cn(C[C@@H](O)CO)cn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650754
+CC(=O)c1ccc(OCCCOc2ccc(OCC(=O)O)cc2)cc1O,CHEMBL212808
+Cc1nn(C(F)F)cc1S(=O)(=O)n1ncc2cnc(NC(=O)c3c(F)cccc3Cl)cc21,bindingdb_998090
+CCC(C)N(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1,CHEMBL4208949
+CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc32)cc1)C(=O)O,CHEMBL166637
+Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)o1,CHEMBL1413557
+CS(=O)(=O)Cc1ccc(COC(=O)Cc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_1003870
+CCOC(=O)c1cc2ccccc2n1CCN(CC)CC,CHEMBL1616430
+CC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2c(=O)cc(C)oc12,CHEMBL4102462
+CC(=O)N1CCN(c2ccc(CN(C3COC3)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317838
+CC1=CC[C@@]2(CO)CO[C@@H](c3cc(C)c(O)c(C)c3)[C@@H]1C2,CHEMBL181712
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc12,CHEMBL3695867
+Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2)ccc1CCC(=O)O,CHEMBL237485
+CCCc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1,CHEMBL2037328
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(C)=O)cc3)o2)[C@H](C)OC(C)=O)c(C)c1Cl,CHEMBL3640890
+COc1ccc2cc(CCC(C)=O)ccc2c1,CHEMBL1070
+O=C(O)c1cc(OC2CC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(F)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1017983
+CCOc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cn1,bindingdb_403043
+O=C(NC1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)C1CCC(F)(F)CC1,bindingdb_654815
+O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,CHEMBL1071
+CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270783
+O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1cccc2ccccc12,CHEMBL518091
+O=C(CC1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647346
+Oc1ccc(C2Nc3cccc4cccc(c34)N2)cc1O,CHEMBL1822156
+CCOC(=O)N1C[C@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@H](C(=O)O)C1,CHEMBL3398437
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NCc1cnn(Cc3ccccc3)c1)O2,bindingdb_645742
+CN(C)CCOc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL203472
+CC(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)NS(=O)(=O)C1CC1,bindingdb_648631
+C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1,CHEMBL2059712
+Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c(Br)c1,bindingdb_1720
+CCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1OCC,bindingdb_292616
+CC(C)c1cc(Cc2c(Br)cc(CC(=O)O)cc2Br)n[nH]c1=O,bindingdb_965690
+Cc1cc(-c2cc3c(O)cc(O)cc3s2)ccc1O,bindingdb_78779
+CC(C)CNc1nc(CCc2cccc3ccccc23)cc(N(C)CC(C)C)n1,CHEMBL495326
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2ccc(OC(F)(F)F)cc2)cc1,bindingdb_270559
+O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(F)cc1,CHEMBL3545017
+CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_206653
+Cc1ccc(C2=C(c3cnc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SC2)c(F)c1,bindingdb_403807
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43CO)C1CC[C@@H]2O,CHEMBL382632
+CCNc1cc(Cl)c(C(=O)Nc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1,CHEMBL3613431
+O=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12,bindingdb_672409
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1,CHEMBL193851
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc3ccccc3c2)cc1,CHEMBL1079449
+Cc1c(Oc2ccc(Cl)cc2)c2ccc(C(F)(F)F)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1,CHEMBL517436
+C[C@@]1(c2ccccc2)CN(C(=O)NCc2ccccc2)C[C@@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654539
+CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccccc2)c1)C(=O)O,CHEMBL322086
+O=C(O)COc1ccc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c(F)c1,bindingdb_1019052
+CCC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CHEMBL1087584
+Oc1ccc2c(c1)CCCC(c1cccc(Cl)c1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402575
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H](CCCCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL607373
+CCCCOc1ccc(-c2ccc(C(=O)O)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL2413327
+CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1)C(=O)O,CHEMBL426483
+CCOC(c1ccc(OC(F)(F)F)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,CHEMBL3103197
+C[C@H]1c2cc(-c3cccc4cc[nH]c34)c(F)c(F)c2NC(C)(C)[C@@H]1O,CHEMBL1682437
+CC(C)(C)NC(=O)c1cc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc(C2(C)CC2)c1,CHEMBL4126534
+CC(=NN=C(C)c1cccs1)c1cccs1,bindingdb_1000078
+CCc1nc2cc(O)ccc2c(Oc2cccc(/C=C/C(=O)O)c2)c1-c1ccccc1,CHEMBL193730
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168417
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)CC(F)(F)F)cc1OC(F)F,bindingdb_1183583
+CC(=O)N1Cc2cc(S(=O)(=O)NC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648388
+CCS(=O)(=O)CCn1ccc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651391
+CCCC/C(=C\c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397724
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL1911152
+COc1cc(S(=O)(=O)N2C[C@H]([C@@H](CC(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_645502
+Cc1nn(C2CC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168432
+CCOC(=O)c1c(Nc2nc(C)c(C(=O)NC)s2)sc(C)c1C,CHEMBL1541552
+N#Cc1noc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)n1,bindingdb_757588
+Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OC(C)(C)C(=O)O,CHEMBL1630384
+CN(C)CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@H]32)cc1,CHEMBL1628190
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CCS(C)(=O)=O)c(Cl)o3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649873
+O=C(O)C1CCCc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21,CHEMBL573680
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(Cl)cc(Cl)c3)cc12,CHEMBL3699365
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4cccnc4)cc3F)C2=S)ccc(C#N)c1Cl,bindingdb_511755
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(-c5ccno5)cc4C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017618
+COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1CC(=O)O,CHEMBL4244799
+CS(=O)(=O)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21,CHEMBL240157
+CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(-c3ccc(C#N)cc3)cc2)n1)C(=O)O,CHEMBL456792
+Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1,CHEMBL3288346
+CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)ccc(C(C)=O)c1O,CHEMBL373785
+CNc1ccc2cc(C(=O)N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)c3cccc(/C=C/C(=O)OC)c3)ccc2c1,CHEMBL4097177
+Clc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,bindingdb_69008
+CCOC(=O)C1=C(CC)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-],CHEMBL249833
+[N-]=[N+]=Nc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1,bindingdb_652402
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_653665
+CC(C)c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1,CHEMBL3402140
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_645573
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)nc1,bindingdb_647995
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263847
+O=C(O)c1cc(O[C@H]2CCOC2)c2nc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018727
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_654479
+O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645670
+CC1CCCN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1,bindingdb_17493
+CC(C)CN(c1ccc(C(O)(C#Cc2cccc(S(C)(=O)=O)c2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1,CHEMBL2070454
+CCOC(=O)C(C)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1,CHEMBL3764424
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(C)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018878
+CC(C)(C)OC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_646411
+CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(=O)O,CHEMBL205665
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105677
+CC[C@@H]1c2ccc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_1127720
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1,bindingdb_69289
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)C2CCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL149714
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1,CHEMBL3234273
+COc1nnc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_400956
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3cc(CC(C)(C)C)on3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645419
+COc1cc2c(=O)oc3c(C)c(O)ccc3c2cc1Br,CHEMBL438443
+CCOc1cccc(-c2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)c1,CHEMBL2037190
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc([C@H](O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653295
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC2(O)CCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183074
+COc1ccc(Nc2nc(-c3ccccc3)cs2)cc1,bindingdb_672376
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1cncc(C(F)(F)F)c1,bindingdb_1130960
+Cc1c(-c2ccc3cnn(C)c3c2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_646937
+Cc1c(C)n(Cc2ccc(OC(C)(C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678124
+Cc1c(O)ccc2c1c(=O)oc1c(F)c(O)ccc12,CHEMBL206546
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCc2ccccc2)n1,bindingdb_647219
+CCCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL1801714
+CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,bindingdb_69337
+CN1OC[C@@H]2CN[C@H](c3ccc(-c4cccc(F)c4)cc3)C[C@@H]21,bindingdb_55587
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)cc2c1,CHEMBL4098325
+CC(=O)O[C@H]([C@@H]1C[C@@H](C)C2=C3C=C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O1)C(C)(C)O,CHEMBL3632957
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(C)(C)C3)cc1,bindingdb_270500
+Cc1cccc(Cc2c(=O)n(C)c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)c1,CHEMBL2204061
+COc1cc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)ccc1/C=C/C(=O)O,CHEMBL4065563
+Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)nc2C(F)(F)F)ccc1OCC(=O)O,CHEMBL3915258
+Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206298
+CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322438
+Oc1ccc(C(=Nc2ccc(Cl)cc2)c2ccc(O)cc2)cc1,CHEMBL3234619
+CC(C)(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL248118
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1184314
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C[C@@H]1CC[C@@H](C(F)(F)F)OC1,bindingdb_1130822
+CN(Cc1cccs1)C(=O)c1cc2ccc(F)cc2[nH]1,CHEMBL3318060
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2CC[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183329
+O=C(NS(=O)(=O)C1CC1)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018078
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3=O,CHEMBL90766
+COc1nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c(Cl)c1Cc1ccc(F)cc1,bindingdb_1184014
+O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL4237252
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]2OCC=C2[C@@H]1O,CHEMBL512291
+COC1(CC(=O)N2Cc3cc(S(=O)(=O)CC4CC4)ccc3C2C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1,bindingdb_651179
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(CO)C3)CC1,bindingdb_653226
+COc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)ncc2c1cnn2-c1ccccc1,bindingdb_18569
+CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1,CHEMBL3695807
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)[C@@H]1C[C@@H]1C#N)O2)C(F)(F)F,bindingdb_648765
+NC(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC(F)(F)F)c1,CHEMBL3092208
+CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,CHEMBL1510721
+Cc1cc(Oc2ccc3nc(COc4ccc(C(=O)O)cc4)n(C)c3c2)cc(C)c1N,CHEMBL4302689
+C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F,CHEMBL301446
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB15566
+COc1cc(NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC,bindingdb_69324
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C[C@]45CCC(CC4=O)C5(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263790
+Cc1cn(Cc2ccc(O)c(C3CCCCC3)c2)c2ccc(OCC(=O)O)cc12,CHEMBL3397347
+CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21,CHEMBL3763758
+CCCCCS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3906238
+CN(Cc1ccccc1)C(=O)c1ccc2c(c1)c(Sc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3896717
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCOCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263812
+COc1ccc(C(=O)C(C)(C)NO)cc1,bindingdb_112287
+O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccccc2)CC1,bindingdb_69195
+CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc2c(c1)OC(CC)(C(=O)O)CC2,CHEMBL113324
+CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL17222
+COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)C)cc3)c2C)c1,bindingdb_356215
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(CN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL603086
+O=C(/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)NCCO,CHEMBL4098078
+COc1ccc(-c2cn3ccccc3n2)cc1OC,bindingdb_672314
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F,CHEMBL3358926
+Cc1nc2c(s1)CN(C(=O)C1CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C1)C2,bindingdb_648924
+CSCC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL404483
+CCn1cc(S(=O)(=O)N2C[C@H](CS(=O)(=O)CC)Cc3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647871
+CN(C[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_651163
+Cc1cncc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c1,bindingdb_652841
+COc1cc(-c2ccccc2O)ccc1C#N,CHEMBL503575
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3cncc(C4CC4)c3)cc12,CHEMBL3699403
+Cn1c2c(c3cc(O)ccc31)CCc1ncccc1-2,CHEMBL379527
+CC(C)(C)c1cc(C2=Cc3ccc(C(=O)O)cc3OC2)ccc1O,CHEMBL75311
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(OC(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649357
+CN/C=C(\C=N)CNC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C,bindingdb_1127542
+C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12,CHEMBL194532
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4cccc(C)c43)c2)c(C(=O)O)c1,bindingdb_598407
+Cc1cnc(-c2ccc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)o1,bindingdb_654346
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1Cl,bindingdb_1054242
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1079505
+CC(C)NC(=O)NC(=O)CSc1ccccc1F,bindingdb_112174
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)C[C@H](CCc1n[nH]c(=O)o1)O2)C(F)(F)F,bindingdb_648636
+CCOc1ccc(S(=O)(=O)C23CCCN(C(=O)C4CC5(CC(C(=O)O)C5)C4)C2COc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_648491
+COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3,CHEMBL46325
+Oc1ccc2c(c1)OCCC(c1ccc3occc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402386
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)c1cccc(Cl)c1,CHEMBL1163717
+Cc1nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1,CHEMBL1825109
+C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O,bindingdb_953827
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ncc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206454
+O=C(CCCN1c2ccccc2N(Cc2ccccc2)S1(=O)=O)N1CCCC1,CHEMBL3402142
+CC(=O)c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,CHEMBL190368
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)F,bindingdb_401804
+COc1ccc(CO)cc1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL451153
+N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(N3CCOCC3)c2)c1,bindingdb_598463
+C[C@H]1C[C@@H](n2cnnc2)CCN1c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1,bindingdb_646596
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Sc6ccc(N)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_25345
+O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)cc1)c1ccc(Cl)cc1Cl,CHEMBL2338488
+Cc1cnc(-c2ccc(C(F)F)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002196
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(Cl)nc2Oc2c(F)cccc21,bindingdb_1054302
+CCOC(=O)[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21,5q0z
+C[C@@H]1OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1[C@@H](O)C(F)(F)F,bindingdb_506290
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3cccc(OC(F)(F)F)c3)C3CC3)c2F)[C@H](O)C1,bindingdb_988807
+Nc1c(C(=O)NCC(O)(CN(CCF)C(=O)c2c(F)cccc2F)C(F)(F)F)cnn1-c1ccc(F)cc1,CHEMBL464245
+N#Cc1cnc(N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)nc1,bindingdb_653917
+CC(C)C1=CC(C)(C)Oc2cc(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)c(Cl)cc21,CHEMBL1783064
+O=C(O)C(Oc1ccc(Cl)cc1F)c1ccc(Cl)cc1,CHEMBL1956371
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(CCO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654454
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCCC1,bindingdb_650861
+O=c1c(Cl)nc2cc(Cl)ccc2n1CCNc1ncc(C(F)(F)F)cc1Cl,bindingdb_1026205
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(-n4cnnn4)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL590351
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)C(F)(F)F)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017560
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CC(C(F)(F)F)C1,bindingdb_1184133
+CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O,CHEMBL3121587
+C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC[C@@H]1C(=O)O,bindingdb_206670
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2C(=O)c2cccc(C(=O)O)c2)c1,CHEMBL562011
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCC1,bindingdb_645503
+Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C/c1ccc(F)cc1,bindingdb_112151
+COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1,CHEMBL3930183
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nnc(CO)[nH]1,bindingdb_654822
+Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1,bindingdb_953785
+Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1,CHEMBL3139585
+Cc1cc(C(=O)NCCc2ccc(C(C)(C)C)cc2)ccc1O,CHEMBL4211333
+CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCC3,CHEMBL1604955
+CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1,CHEMBL1091535
+CC(C)(F)CN1[C@@H]2CCC[C@@]1(c1c(F)cc(/C=C/C(=O)O)cc1F)c1[nH]c3ccccc3c1C2,6sq0
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1C(C)(F)F,bindingdb_1182874
+CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(C2CCC2)n1,CHEMBL3598231
+CNS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)cc1,bindingdb_654621
+Cc1cc2c(cc1Sc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C,CHEMBL116886
+c1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1,bindingdb_760213
+N#Cc1ccccc1CC(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12,bindingdb_650845
+COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1,bindingdb_292607
+CC(C)c1nnc(NC(=O)c2ccc3c(c2)OCO3)s1,bindingdb_69154
+NC(=O)[C@H]1C2CCC(O2)[C@H]1NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_654970
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(F)c3nccn3c2)c1)C12CC(F)(C1)C2,bindingdb_1019080
+Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc32)cc1,CHEMBL1738936
+N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c(F)c1Cl,CHEMBL394592
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(F)c3)cc12,CHEMBL3695881
+COc1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1,CHEMBL179619
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CC3CC2C3)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c2Cl)s1,bindingdb_648069
+CC1(C)OC(S)=Nc2ccc(-c3coc(C#N)c3)cc21,CHEMBL282649
+Cc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1,CHEMBL3793608
+OC1(C(F)(F)F)CCCc2c1[nH]c1ccc(Cl)c(Cl)c21,CHEMBL1288322
+Cc1cc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)nn1C,CHEMBL1914477
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648072
+CCCCNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC,CHEMBL2326698
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C,CHEMBL1760267
+COc1cccc(C2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)c1,CHEMBL1427088
+CC(C)OC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL565752
+Cc1c(N2C(=O)N(Cc3ccc(-c4ccncc4)cc3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511772
+Cc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2ccc(Br)cc2)no1,bindingdb_87264
+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,DB01990
+COc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,CHEMBL1610464
+Cc1cnc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)s1,bindingdb_168543
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4202533
+NC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc2ccccc12,bindingdb_540004
+CN1CCN(CCOc2ccc(C(=C(C#N)c3ccccc3)c3ccc(OCCN4CCN(C)CC4)cc3)cc2)CC1,CHEMBL3929730
+CC[C@@H](NC(=O)c1ccc2c(c1)nc(C(C)C)n2Cc1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL1825112
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O,CHEMBL196228
+COc1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1,CHEMBL1318598
+CN(C)C(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596601
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1ccc(C(F)(F)F)cc1,CHEMBL218122
+CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O,CHEMBL1423560
+C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1,CHEMBL1517375
+COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3,CHEMBL397919
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3n[nH]c4ccccc34)o2)c1,bindingdb_292602
+CC(CCc1ccccc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,CHEMBL241300
+C[C@]12CN(c3cccc(C(N)=O)c3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210783
+CCOC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)O,CHEMBL490402
+O=C(O)Cn1ccc2cc(OCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ccc21,CHEMBL393373
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5cccnc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4217464
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_402769
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1C,bindingdb_1184164
+Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=S)Nc3ccccc3)cc2)c1=O,CHEMBL3978392
+C[C@@](O)(COc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL470590
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nccc(C(N)=O)n1,bindingdb_1143242
+CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1,bindingdb_1701
+C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3)CC[C@@H]12,CHEMBL4064645
+Cc1cc(F)ccc1-c1c(Cc2ccc(/C=C/C(=O)O)cc2)c2ccc(C(F)F)cc2oc1=O,CHEMBL3427411
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ccn(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652549
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(OCC(=O)O)CC3)c1Cl)n2C,bindingdb_646618
+CCc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1,bindingdb_584200
+CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1nccc(C(F)(F)F)n1,CHEMBL3959681
+O=C([C@H]1CC[C@](F)(C(=O)O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653300
+CC[C@H]1[C@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1,CHEMBL4067691
+Brc1cccc(CN2CCn3nnnc3C2C2CCCCC2)c1,bindingdb_647130
+COc1ccc(-c2cccc(C(=O)O)c2)cc1CNC(=O)c1ccc(Oc2ccccc2)cc1,CHEMBL1934308
+CN1CCN(c2cc(NC(=O)c3cc(C#N)ccc3Cl)ccn2)CC1,bindingdb_48809
+Cc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1Cl,CHEMBL231122
+CC(C)n1c(O)nc2ccc(-c3ccccc3F)cc21,CHEMBL189416
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)Cc2ccccc2)C3)cc2ccccc21,bindingdb_1000052
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3oc(-c4ccc(Cl)cc4)nc3C)c2)cc1,CHEMBL1090211
+CN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1,CHEMBL372029
+O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1,CHEMBL1360685
+CC(=O)N1CCN(CCn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_168408
+CCC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651593
+CCn1cc(S(=O)(=O)N2C[C@@H](CS(=O)(=O)CC)Cc3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647950
+CCn1c(=O)c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2n(CC)c1=O,CHEMBL4226313
+O=C1CC(C(=O)N2CC[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCN1,bindingdb_650685
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccc(Cl)nc32)cc1,CHEMBL198623
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(F)(F)CC1,bindingdb_55001
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)CC2(C)O,CHEMBL568062
+COC(=O)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL244715
+Cc1nnc(-c2ccc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)o1,bindingdb_655002
+CC1CC(C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CCS1(=O)=O,bindingdb_646134
+O=C(N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)C1(CO)CCS(=O)(=O)CC1,CHEMBL3952914
+CCC[C@@]1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652394
+Cc1nc(N)nc(Nc2ccc(Cl)cc2)c1Br,bindingdb_958544
+CS(=O)(=O)NC(=O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2,bindingdb_1017688
+CCc1ccc(C(=O)NCc2cccs2)s1,bindingdb_1005052
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1,CHEMBL3105794
+CS(=O)c1ncn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_654669
+CC1(C(=O)OC(=O)C2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCCC2(C)c3cc(O)ccc3CCC12,CHEMBL555373
+Cc1cccc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)n1,CHEMBL2204057
+Oc1ccc(N=Nc2ccc3ccccc3c2)cc1,bindingdb_999684
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cc(OC)cc(OC)c2)cc1,bindingdb_270536
+Cc1ccc(/N=C(\c2ccc(O)cc2)c2ccc(O)cc2O)cc1,CHEMBL3234629
+CNC(=O)Cc1cnc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654992
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C3CCCC3)C(C)(C)C1)cn2C,bindingdb_648863
+O=C(O)c1ncc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cn1,bindingdb_1018797
+CC1(C)OC(S)=Nc2c(Br)cc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL24963
+CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccc(F)cc1C(N)=O,CHEMBL3358946
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)s2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640846
+O=C(Nc1ncccc1O)c1cc2ccccc2o1,bindingdb_1000329
+Cn1c([C@@H](N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)C(C)(C)C)nc2ccc(C(=O)O)cc21,CHEMBL4101514
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(C(F)F)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652358
+C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DB06412
+O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,3nsq
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183362
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)CC2COc3ccccc3O2)s1,CHEMBL2059558
+C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_400902
+CCc1nc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(C)C)s1,bindingdb_647821
+CC(=O)N1CCN(CCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1,CHEMBL2346974
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168545
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182965
+O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)[nH]1)Nc1nccs1,bindingdb_401131
+O=C(NC1CCOCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21,CHEMBL1642357
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)nc1C,CHEMBL4170144
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(C)F,bindingdb_401694
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccccc4Cl)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018426
+Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CC2(F)F)c(C)c1,CHEMBL3774648
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(O)(C(F)(F)F)CC2)[C@@H]3C(C)C)nc1,bindingdb_124121
+O=C(O)/C=C/c1ccc(-c2ccc(F)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1,CHEMBL459497
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)c(C(=O)c3ccccc3)s2)cc1,CHEMBL3105678
+COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3924894
+CC(C)Sc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL453740
+Cc1ccc2nc([C@H](CC3CCN(CC(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1,CHEMBL4171481
+Cc1cc(C(F)(F)F)cc2ccn(C(=O)c3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)c12,bindingdb_206705
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(O)nc1,CHEMBL382426
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5ccnn5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018413
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647291
+Cc1ccc(-c2cc(-c3ccc(C)cc3)[n+](C)o2)cc1,bindingdb_539926
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)c(C(F)(F)F)c1,bindingdb_511785
+CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc(C(C)=O)c1C,bindingdb_112086
+CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)c(Cl)c4)oc3C)ccc21,CHEMBL372404
+C[C@]12CCC(=O)C[C@@H]1CC(CCCCCCCC(=O)N1CCOCC1)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL224654
+COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1,bindingdb_1714
+Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4094499
+CN(Cc1ccccc1OCCCOCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL4208123
+Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1,6dgl
+CCn1cc(S(=O)(=O)N2C[C@@H](CC3(C#N)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649421
+CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-],CHEMBL2348921
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(CC)cc3)oc2C)c1)C(=O)O,CHEMBL213678
+Cc1ccc(CN=C2Nc3ccccc3CS2)cc1,bindingdb_999914
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(Sc6ccc(N)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417656
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CCC(F)(F)F)cc1F,bindingdb_1182930
+CC(C)(C(=O)NC(N)=O)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)nc3)nc2Oc2c(F)cccc21,CHEMBL3315067
+O=C(CCC1CCCN(C(=O)C2=CCCCC2)C1)N1CCN(c2ccccn2)CC1,bindingdb_112208
+CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL386504
+O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1,bindingdb_953889
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)c(F)c1,bindingdb_511753
+Oc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)Oc3ccc(O)cc3S2)cc1,CHEMBL418327
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_402289
+COc1ccc(-c2nc(COc3ccc(CCC(=O)O)c(C(F)(F)F)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1080013
+O=C(CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)NCC(F)(F)F,bindingdb_645434
+NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)C(F)(F)CCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596613
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)cc2c(F)cc(C(F)(F)F)cc21,bindingdb_206717
+C[C@H](C[C@H]1CN(S(=O)(=O)c2ccnc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_649082
+COc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)cc1,bindingdb_417420
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1C(N)=O,CHEMBL3352882
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC[C@@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183496
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(F)(F)C3)c1Cl)n2C,bindingdb_206416
+CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1,CHEMBL1603587
+CC(=O)Nc1ccc(CN=Nc2nc3ccccc3s2)cc1,bindingdb_672625
+CC[C@@H]1c2ncc(C(=O)N[C@@H](COC(N)=O)c3ccc(S(=O)(=O)CC)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_1127421
+C[C@@H](O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649935
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1,CHEMBL3315049
+CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1,CHEMBL3318059
+Oc1ccc2c(c1)CCCC(c1ccc(C(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402636
+CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C#N)=C(C)N2,CHEMBL4096901
+COc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)NO)cc1)=C2c1ccc(O)cc1,CHEMBL3589697
+O=C(NN=Cc1c[nH]c2ccccc12)C1COc2ccccc2O1,bindingdb_958531
+Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1,bindingdb_999838
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F,CHEMBL236748
+CS(=O)(=O)c1ccc(C#CC(O)(c2ccc(N(CC(F)(F)F)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070461
+CC(=O)N[C@@H]([C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(F)(F)F,bindingdb_645124
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(Cl)n1,bindingdb_655054
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F,CHEMBL550730
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)c1,CHEMBL491751
+CC(=O)N1CCN(c2ccc(CN(CC#N)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317847
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ncnc5ccccc45)nc(OC4CCC4)c3CC[C@H]12,bindingdb_649518
+C=CCC1Oc2cccc(O)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL266709
+Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O,CHEMBL4245186
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)c1,CHEMBL606539
+O=C(c1cccc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)N1CCCC1,CHEMBL482064
+O=C(O)c1ccc(-c2nn(Cc3cc(F)ccc3F)c3cccc(F)c23)c(F)c1,bindingdb_652089
+CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1,CHEMBL3678086
+O=C(O)c1ccc(-n2nc([S+]([O-])c3c(Cl)cccc3Cl)c3ccccc32)cc1,CHEMBL3933815
+CCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1085380
+CC1(C)CCC[C@]2(C)[C@H]3CC[C@H](O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12,CHEMBL2386485
+CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,CHEMBL1078
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)cncc3F)cc12,CHEMBL3699362
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC[C@H](O)C(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184183
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1130955
+CC(C)c1onc(-c2cccc(CC(=O)O)c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl,CHEMBL217932
+COc1cc(O)c(Br)c2cc(-c3ccc(O)c(F)c3)oc12,CHEMBL362272
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC3CCCC3)cc(OC3CCCC3)c2)cc1)C(=O)O,CHEMBL247937
+CN(C)CCN1CCc2ccccc21,CHEMBL422471
+CCc1ccc(C2c3nnnn3CCN2Cc2ccccc2)cc1,bindingdb_650380
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@@H]2CCCCC2(F)F)cc1C(F)(F)F,bindingdb_1182902
+CC(C)(C)n1ncc(C(=O)Nc2ccc3cnn(CC4CCN(c5ccc(C(=O)O)cc5)CC4)c3c2)c1-c1ccc(F)cc1,CHEMBL4101903
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C4CCCC4)CCCc4ccccc43)C(F)(F)F)cc12,CHEMBL235365
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)CO,bindingdb_400996
+Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/c2nnc(C)n2C)cc1,bindingdb_401389
+CCC(=O)c1cnc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130739
+CC(=N)C(C#N)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1,bindingdb_830890
+CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1,CHEMBL4094234
+C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O,CHEMBL538137
+C[C@H]1OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1[C@H](O)C(F)(F)F,bindingdb_29777
+COC1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(C5CC5)ccc(F)c4Cl)c3C2)C1,bindingdb_645220
+COC(=O)c1sccc1NC(=O)Nc1ccc(C)cc1,bindingdb_55732
+CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1,CHEMBL1213603
+CCC(CC)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL203338
+N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1,CHEMBL370458
+CNC(=O)[C@H]1C[C@]1(c1ccc(C(OCc2c(F)cccc2F)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1,bindingdb_653132
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(F)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263905
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(=O)(=O)C1CC1,bindingdb_654219
+CCCC12CCC(=O)C(C)=C1c1ccc(O)cc1C2,CHEMBL212418
+Cc1cc(C)cc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1,bindingdb_652723
+Oc1ccc(-c2ccc3c(Cl)c(O)ccc3n2)cc1,CHEMBL196530
+Cc1cc(Cl)ccc1OCC(=O)OC(C)C(=O)N(C)C,CHEMBL1501342
+NC1(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCOCC1,bindingdb_647289
+COc1nc2c(OC)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1182986
+Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc12,bindingdb_69332
+CCN1CCC(n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_168601
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(O[C@H]3C[C@H](C(=O)O)C3)c1Cl)n2C,bindingdb_646949
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(O)(c4ccccc4)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_648499
+CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@H](F)[C@@H]12,CHEMBL3326460
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_653844
+CS(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,bindingdb_760306
+CS(=O)(=O)N1CCC(CO)(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648668
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)S(=O)CCN3CC2CCOCC2)cc1,bindingdb_54918
+Cc1cc(C#N)ccc1N1C(=O)[C@@H]2[C@H](O)CCN2C1=O,CHEMBL389606
+CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2c1OCC2,CHEMBL1911655
+Cc1ccc(CN2C[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)C2)cc1,CHEMBL4208957
+COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)cc2oc1=O,CHEMBL475989
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc(OC(F)(F)F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263789
+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL497834
+O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@H]2C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@@H]1[S+]2[O-],CHEMBL2031515
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(C(C)C)ncc2[nH]1)C(F)(F)F,CHEMBL3126934
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1,bindingdb_1127537
+CC[C@@H](C(C)C)[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4061349
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCC(O)CC3)cc2)cc1,CHEMBL184372
+Oc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1,CHEMBL3765583
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc3nc(C4CC4)sc3c2)c1)C12CC(F)(C1)C2,bindingdb_1018768
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183398
+CCOc1sc(CC)nc1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_650896
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2Cc2ccncc2)c1Cl,bindingdb_168591
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(N4CCCC4)COC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55053
+CCCC[C@@]12CCC(=O)C(c3cccs3)=C1c1ccc3[nH]nnc3c1C2,CHEMBL214692
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)N(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018882
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC3)cc2C1=O,bindingdb_1127495
+c1ccc(-c2ccc(-c3ccccn3)nn2)nc1,bindingdb_69034
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL3666805
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CC(C)C)c1)CCC2,CHEMBL2312278
+COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cn2)cc1,bindingdb_953864
+Cn1c2c(c3cc(O)ccc31)CCc1cnccc1-2,CHEMBL378087
+COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1csc(CNC(=O)[C@H](C)N)c1,CHEMBL475503
+O=C(O)c1ccc(-n2cc(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc32)nc1,bindingdb_651765
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184153
+Cc1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646746
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCO)CC[C@@H]23)C[C@H]1O,3vrt
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(OC(C)C(F)(F)F)cc1OC,bindingdb_1184260
+Cc1ccc2c(Cl)c(C(=O)Nc3cc(C)on3)sc2c1,bindingdb_953917
+CCNc1nn(CC)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645119
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1cc(F)cc(Cl)c1,bindingdb_417693
+Oc1ccc2c3c(cnc2c1)-c1cccc(C(F)(F)F)c1OC3c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_1050056
+COC(=O)c1ccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1,bindingdb_87268
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(C)cc2)C1=O,CHEMBL3403696
+CN1C[C@@H]2CN(C(=O)N3CC[C@](c4ccc(C(OCc5c(F)cccc5F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)C[C@@H]2C1,bindingdb_645170
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(Cl)nc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL258522
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_649054
+CC(C)CC(c1nnnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL561713
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1,CHEMBL598608
+O=C(O)C1CC2(C1)CC(C(=O)N1CCCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC13)C2,bindingdb_648143
+Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL2037326
+CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2,bindingdb_91275
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccccc1,CHEMBL1165353
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl,CHEMBL233243
+Cc1cccc(CN2C(=O)CSc3ccc(C(=O)NC4CC4)cc32)c1,bindingdb_292598
+Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccccc2)cc1,CHEMBL2037186
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21,bindingdb_1054239
+CCn1c(Cc2ccc(C(F)(F)F)cn2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206557
+Cn1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1=O,bindingdb_647060
+O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1,bindingdb_988791
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccncc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,CHEMBL409905
+CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1,CHEMBL2348872
+C=C1C[C@@H](C[C@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C(=C)[C@H](O)C4)CCC[C@]23C)OC1=O,CHEMBL429347
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)C4CC4)cn3)c(=O)n([C@@H](C)C3CC3)c2n1,bindingdb_647961
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCO,CHEMBL331820
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1nccs1,CHEMBL569290
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CS(=O)(=O)C2)sc1-c1cnc(NC2CCCC2)cc1C(F)F,bindingdb_1183184
+CCN(CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,CHEMBL1618864
+CN(C)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,bindingdb_475949
+Cn1ccnc1-c1ccc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_655035
+CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O,CHEMBL196051
+NC(=O)CN1CC[C@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3F)C3CC3)c2F)[C@H](O)C1,bindingdb_988944
+Cc1cc(C)c2nc(NC(=O)c3sccc3C)sc2c1,CHEMBL3218919
+COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(CSc3ccccn3)c2)cc1,CHEMBL1303031
+COC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1,bindingdb_539862
+N[C@H](CO)C(=O)NC1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998183
+O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(Cl)cc1,bindingdb_672375
+CCc1c(N[C@@H](C2=NOC(c3ccc(C#N)cc3)O2)[C@H](C)O)ccc(C#N)c1Cl,CHEMBL3640865
+Cn1c(C#N)ccc1-c1ccc(O)cc1F,CHEMBL4095883
+O=c1cc(-c2ccccc2)oc2cccc(O)c12,CHEMBL16807
+Cc1ccc(OCCSc2nc3ccccc3[nH]2)cc1,CHEMBL2316541
+OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)O1,bindingdb_539927
+COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,DB07932
+O=C(Nc1ccn(Cc2ccccc2)n1)c1[nH]nc([N+](=O)[O-])c1Cl,bindingdb_1000295
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182786
+N#Cc1ccc(OCCN(CCOc2ccc(C#N)cc2)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1,CHEMBL3753473
+CCOc1nc(C(=O)O)cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018077
+N#CCCN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647584
+Cc1cccc2c(C(=O)c3c(Cl)cccc3C(F)(F)F)cn(-c3ccc(C(=O)O)cc3)c12,bindingdb_651679
+C/C(=N\O)c1cc(-c2ccc(O)c(F)c2)ccc1O,CHEMBL3409958
+O=C(NCCOc1ccccc1)c1ccc2c(c1)OCO2,bindingdb_584198
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(C)c1,CHEMBL3814071
+CC1(O)CN(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_652154
+CC(C)CNC(=S)NCCSCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CHEMBL550082
+S=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1,bindingdb_112074
+C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL434302
+C[C@@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649346
+C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1,CHEMBL3121588
+O=C(c1ccc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1,CHEMBL482063
+Cc1noc(C)c1-c1nc(-c2ccccc2F)c2c(n1)[C@]1(C)C=C(C#N)C(=O)[C@H](C)[C@H]1CC2,bindingdb_647885
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F,CHEMBL3358922
+COc1ccc(OC)c(C2c3nnnn3CCN2Cc2ccc(OC(C)C)cc2)c1,bindingdb_652948
+CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1,CHEMBL403670
+Cc1cc(C(=O)O)cc2sc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3(F)CC3)C4)nc12,bindingdb_1018035
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cc(Cl)ccc3Cl)cs2)cc1,CHEMBL3609383
+CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1c(F)cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)c1CC,bindingdb_206384
+Cc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c1C,bindingdb_402567
+CSCc1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130975
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O,CHEMBL3590264
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1F)c1ccccc1,CHEMBL1825122
+CC(F)(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4069711
+Cc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596621
+CCOC(Cc1ccc(OCCN2CC=C(c3ncccn3)CC2)cc1)C(=O)O,CHEMBL523649
+CN1CCN(CCOc2cccc([C@H]3Oc4cc(O)ccc4C4=C3c3ccc(O)cc3OCC4)c2)CC1,CHEMBL1083497
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CCC(F)(F)F)cc1OC(F)(F)F,bindingdb_1183347
+CC(O)(CSc1ccc(N)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,CHEMBL387137
+CCO[C@@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)NOC,bindingdb_949600
+CCO[C@@H](Cc1cccc(C2=NOC(c3ccccc3)C2)c1)C(=O)O,CHEMBL521925
+Oc1ccc(-c2nc3ccccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL1254449
+C#C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL437065
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)OC5)C(=O)C4CC(C(F)F)C4)c3)cc2s1,bindingdb_1018409
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C)cnc2Cl)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654838
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCC3)cc2C(F)(F)F)s1,bindingdb_1182746
+COC(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1,bindingdb_1700
+Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccc2c(c1)OCO2,CHEMBL1924003
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@H](C)c2ccc(C(F)(F)F)cc2F)[C@H]3C(C)C)cc1,bindingdb_270950
+CC1(C)Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F,bindingdb_403448
+CCN(C(=O)c1ncco1)C(C)[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_650840
+CCOc1ccc(C2=C(c3cnc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3CCC2)c(F)n1,bindingdb_403543
+Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1OCCCCCC(=O)O,bindingdb_1002263
+Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1,CHEMBL4211066
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C)(C(=O)N(C)C)c1ccccc1,CHEMBL214948
+Oc1cccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccc(F)cc3OCC2)c1,CHEMBL471627
+CS(=O)(=O)c1cccc(N2CCN(C[C@@H]3CC[C@H](C(F)(F)F)OC3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1143352
+Cc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL397050
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(C)C)n1,bindingdb_652228
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)cc1,CHEMBL2385087
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)C=CC=CO2)cc1,CHEMBL2282522
+N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2)o1,bindingdb_1026216
+COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2oc1=O,CHEMBL515454
+Cc1cccc2c1/C(=C/c1c(F)cccc1Cl)C(=O)N2c1ccc(C(=O)O)c(O)c1,bindingdb_206449
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(N5CCOCC5)cc4)ccc1c23,CHEMBL3234034
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)cn1-c1c(F)cc(CC(C)C(F)(F)F)cc1F,bindingdb_1182979
+CC(C)[C@H]1c2ncc(C(=O)NC(Cc3ccc(F)cc3)C(=O)O)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123971
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)CC(F)(F)F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_647041
+N/C(=N\N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)N[N+](=O)[O-],CHEMBL1981657
+CCCCCCOc1ccc(C(=O)CCN2CCN(C)CC2)cc1,CHEMBL551450
+CCn1cc(S(=O)(=O)N2C[C@@H](CS(=O)(=O)CC)Oc3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_651525
+O=C(CSc1cc(Cl)ccc1Cl)NN=Cc1ccc[nH]1,bindingdb_539843
+Cc1oncc1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127378
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2ccc(C(F)(F)F)nc2)n3C2CC2)cc1,bindingdb_1127354
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3COC3)c3c2CCC(CO)C3)CC1,bindingdb_653472
+N#CC1=C(SCC(=O)Nc2cccc3cccnc23)NC(=O)C(C#N)C12CCCCC2,CHEMBL1410021
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3nccs3)C[C@H]1CCc1cc(O)ccc12,CHEMBL3421879
+C[C@](O)(CN1CCc2cc(Br)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475840
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1183783
+N#Cc1cccc(-c2ccc3oc(=O)ccc3c2)c1,CHEMBL1835828
+CCCc1nc(-c2ccncc2)cn1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4285849
+O=C(N1CCc2cc(O)ccc2C1)C(F)(F)Cl,CHEMBL1766974
+C[C@H](c1ccc([C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)O2)cc1)c1cccc(N)c1,bindingdb_17554
+COc1ccc2c(c1)CC/C(=C\c1ccc(OC)c(Cn3nc(C)cc3C)c1)C2=O,CHEMBL1539136
+COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)Nc1nnn[nH]1,CHEMBL3263768
+O=C(C1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)c3cccc(Cl)c3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_654471
+O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)C1CCCO1,bindingdb_91252
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccccn2)C1=O,CHEMBL2407860
+CC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2ccccc21,CHEMBL1800987
+CC(C)(C)OC(=O)Nc1cccc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)c1,bindingdb_654613
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1,CHEMBL2385732
+CC1(C)Cc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N(C(=O)c2c(F)cccc2Cl)C1,CHEMBL3596611
+C[C@]1(c2ccccc2)CN(S(C)(=O)=O)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654153
+Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12,CHEMBL1334484
+CC(C)(C)c1ccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)cc1,CHEMBL4243351
+COc1nc2ccc(C(O)(c3ccc(N(C)C)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183459
+CC(C)(Sc1ccc2c(c1)CC(N(CCCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)O,CHEMBL398936
+COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,CHEMBL54804
+O=C(NS(=O)(=O)C1CC1)c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1,bindingdb_1018177
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(F)cc1-3,CHEMBL416411
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC(C)C)cc1,CHEMBL4218904
+CC1(C)OCC(C)(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CO1,bindingdb_648935
+CCc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(F)C(=O)O,CHEMBL1927474
+Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1,CHEMBL192756
+COCCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL404183
+CCC1(C)c2ccc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)cc2C(=O)N1CC1CCC(C(F)(F)F)CC1,bindingdb_124122
+O=C(O)c1cccc2c1NC(c1cccc(Cl)c1Cl)C1CC=CC21,CHEMBL1511666
+COc1ncc(-c2cccc(N(CC34CCC(c5noc(C6(C)CC6)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1017571
+COc1ccc(-c2csc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)cc1OC,bindingdb_539903
+COc1ccccc1C(=O)Nc1cccc(Oc2ccc(O)cc2)c1,CHEMBL4174938
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL147282
+CC(C)(NS(C)(=O)=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648811
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(Cl)nn3c2CCC3)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_653358
+CC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1,bindingdb_999862
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccn1)O2,CHEMBL302166
+O=C(O)[C@H]1CCc2cc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2C1,bindingdb_1018699
+Cc1cc(C)c2c(c1)c(=O)oc1c(C)c(O)ccc12,CHEMBL204119
+CS(=O)(=O)Nc1ccc(-c2cccc(N(CC34CCC(c5cc(C(F)(F)F)ccn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018314
+CN(C)C(=O)c1cnc(-c2ccc3c(c2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nncs2)nc1,CHEMBL1911285
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(F)c3Cl)cc12,CHEMBL3695891
+O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(Cl)c1,CHEMBL486363
+N#Cc1ccc(-c2ccc(O)cc2F)n1CC(=O)O,CHEMBL4098744
+O=C(Nc1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3O)nc2c1)c1ccccc1Cl,CHEMBL386447
+COC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653644
+CCn1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_652401
+C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@@H](N)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1257235
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC1(F)CC1,bindingdb_402566
+O=C(NC1CCS(=O)(=O)CC1)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183336
+CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2c1CCC2,bindingdb_1026130
+CNC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143201
+C[C@@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL4065892
+O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CCC3)C4)sc2c1,bindingdb_1018340
+COc1cc(CNC(=O)[C@@]2(Cc3ccc4ccccc4c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407639
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cc(CO)on1,bindingdb_654371
+COc1ccc2c(c1)c(Cc1cccc(OC(C)(C)C(=O)O)c1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL181141
+Cn1cncc1C(O)(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4094197
+Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(/C=C3\SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)cc12,CHEMBL4159675
+CCC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651655
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC4CC4c4ccccc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018225
+Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)c(C)c1,bindingdb_91299
+O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F,CHEMBL3617299
+CC1(c2ccc(/C=C/c3nnc(CO)o3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1,CHEMBL4104400
+COc1cc(C(=O)CSc2nc3ccccc3o2)cc(OC)c1OC,bindingdb_1026172
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1c(F)cc(OCCN2CC(CF)C2)cc1F,bindingdb_961275
+COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(=O)C1CCCCC1)O2)C(C)=CC(C)(C)N3,bindingdb_417423
+CC(C)NC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL257204
+Cc1cc(C(F)(F)F)c(C)cc1CN(c1ncnc(NCC2CCN(CC(N)=O)CC2)c1F)C1CC1,bindingdb_100328
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4N)no3)cc12,bindingdb_965514
+Cc1cc(SC/C(=C/c2ccccc2)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O,CHEMBL517392
+Cc1c(N2C(=O)OC[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1Cl,bindingdb_506273
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3ncnc(-c4ccccc4)c3CC[C@H]12,bindingdb_653081
+C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O,CHEMBL433586
+O=C(O)c1cc(OC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)sc2c1,bindingdb_1018502
+CC(C)CN1CCc2c(ccc3[nH]ncc23)[C@H]1c1ccc(CCC(=O)O)cc1,6iar
+C[C@]12CCC(=O)C=C1C[C@@H](CCCCc1ccc(OCCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL238000
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccncc1,CHEMBL566823
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(C4(F)CCC4)c3)C2)CC1,bindingdb_652304
+COc1cccc(C(=O)Nc2cnc(Oc3ccc(O)cc3)nc2)c1,CHEMBL2441091
+Cc1nn(-c2ccccc2Br)c2c1C(c1ccc(Oc3ccccc3)cc1)SC(C)C(=O)N2,CHEMBL2037333
+CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCN2CCCC2=O)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022747
+NC(=O)C1CCN(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,bindingdb_1739
+CC(=O)N(C)c1ccc(C23CC4CC(CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1,CHEMBL3397781
+COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C,bindingdb_650251
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)ccc21,CHEMBL199579
+CCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2,CHEMBL1606490
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccn(CCO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654497
+c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1,CHEMBL1384172
+CN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1,bindingdb_1184194
+Cc1c(OCCNCCCF)cncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_400873
+CCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(Cl)cccc43)c2)c1,CHEMBL593814
+Cc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1,bindingdb_1000213
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263889
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)C(F)(F)F)cc1,CHEMBL242526
+CCc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2,CHEMBL2398207
+COc1c(C(=O)Nc2ccc(Cl)cc2)ncc2c1cnn2-c1ccccc1,bindingdb_18562
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)c3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C)cc1,bindingdb_1127350
+O=C(NN=Cc1ccc(Br)s1)c1cccs1,bindingdb_999819
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C[C@@H]1C)cn2C,bindingdb_646858
+CCc1ccc2oc(-c3cc(N)ccc3O)nc2c1,bindingdb_69055
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(ncn2CCC2CCNCC2)c1Cl,bindingdb_417299
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCCCCCCP(=O)(O)O,bindingdb_417266
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)cnc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206644
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2Cl)c1,CHEMBL4167449
+CC(C)(C1CCN(C(=O)c2cc(F)ccc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1,CHEMBL3092198
+Cc1nn(C2CCNCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc12,bindingdb_18597
+Cc1cc(C)nc(Nc2ncc(O)n2-c2ccccc2)n1,bindingdb_91215
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)NC2CC2(F)F)C3)CC1,bindingdb_648692
+Cc1ccc(-c2cc3ccc(O)cc3s2)cc1,bindingdb_17658
+CC(C)(c1nc2nccnc2[nH]1)[C@@H]1c2ccc(-c3ccc(N4CCCC4=O)cc3)nc2Oc2c(F)cccc21,bindingdb_1054343
+CCCS(=O)(=O)NC(=O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018918
+CCn1c(Cc2ccc(NC=O)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_270847
+COc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1,bindingdb_672605
+O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12,bindingdb_112113
+Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12,bindingdb_112267
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C)c4)cc3)C(=O)CCCOCc3ccccc3)nccc2c1,bindingdb_109216
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1,CHEMBL1940687
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CC(C(F)(F)F)C1,bindingdb_1184166
+Cc1cc(S(=O)(=O)C23CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1F,bindingdb_649143
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4cccc(N5CCCCC5)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017670
+COc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O,bindingdb_988914
+NC(=O)c1noc(C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1018550
+COC[C@@](C)(F)CN1[C@H](c2ccc(OC3CN(CCCF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402303
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1,CHEMBL1164857
+CCOC(=O)CCC(=O)Nc1ccccc1C(N)=O,CHEMBL1449807
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)Nc4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018738
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(F)cc1-3,CHEMBL106994
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1cn(-c2ccccc2)nc1C(C)C,bindingdb_647308
+COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1641638
+Cc1ccc(CN=Nc2ccc3ccccc3n2)o1,bindingdb_55689
+CCC1(C(=O)O)Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192638
+CC(C)c1ccccc1-n1cc(C(=O)c2ccccc2N)nn1,CHEMBL2381352
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL270311
+CCOC(=O)C1=C(C23CC4CC(CC(C4)C2)C3)c2ccc(OC)cc2C1=O,CHEMBL211674
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc3c(c2)CCC3)o1,bindingdb_108545
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(OC)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270607
+O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(COc2ccc(Cl)cc2Cl)nc2ccc(F)cc21,bindingdb_846220
+C[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2F)CO1,CHEMBL4069468
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C#N)c2[nH]1)C(F)(F)F,CHEMBL1911547
+CC(=O)O[C@@H](C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H](O)C(C)(C)O,CHEMBL3632943
+Cc1cccc(Cl)c1/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)c2cccc(C)c21,bindingdb_645737
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C(C)(C)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_649549
+O=C(O)Cc1ccc(-c2noc(-c3ccccc3)c2COCCOc2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL384762
+Cc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL358379
+CCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1,CHEMBL1098403
+CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(=O)O,CHEMBL396109
+CC(=O)Nc1cnc(O[C@@H](C)c2ccccc2)c(Cl)c1,CHEMBL4172966
+Cc1cc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C)cc1CC(=O)O,CHEMBL404468
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CC2)c(Cl)c1Cl,bindingdb_646605
+COc1cnc(-c2cccc(N(CC34CCC(c5nc(C(C)(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1018638
+CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21,CHEMBL1400512
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCCCCCCCP(=O)(O)O)C(=O)SCF,bindingdb_417248
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@@H](CNC(C)=O)[C@H]2C)c(OCCO)n1,bindingdb_645171
+CCCCC1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL112987
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)c3cccc4ccccc34)cc12,CHEMBL3695849
+COc1ccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)cc1,CHEMBL591533
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2F)N1CC1(F)CC1,bindingdb_402786
+CCOC(=O)c1ccc(NC(=O)c2c3c(nn2-c2ccc(OC(F)(F)F)cc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846222
+Oc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)[se]2)cc1,CHEMBL4289024
+COC(=O)[C@@H]1C[C@@H](n2cnnc2)CCN1c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1,bindingdb_649223
+CC(=O)NCCOC(=O)Nc1ccncc1,CHEMBL1367559
+N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(C(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F,bindingdb_476035
+CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2C[C@H](O)C[C@@H]12,CHEMBL3326462
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270504
+COc1nc2ccc([C@](O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(C#N)c1OCC1CC1,bindingdb_652748
+CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)nc1,bindingdb_401418
+O=C(O)c1ncc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018369
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OC4CCCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_650512
+COc1ccc2c(-c3c(C)n(Cc4cc(O[C@@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc34)noc2c1,CHEMBL519060
+O=C(OC1CCCCC1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,CHEMBL1334684
+CCOc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1,bindingdb_1764
+Cc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cc1,CHEMBL1165497
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H]3CC3C(F)(F)F)c2=O)nc1,bindingdb_652517
+CCOC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N,bindingdb_982658
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NS(=O)(=O)O)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640905
+CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL275153
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3797260
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CN2CCOCC2)c(C(F)(F)F)n1,bindingdb_1131077
+CC(=O)N1CCN(c2ncc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cn2)CC1,bindingdb_655006
+CC(C)CCCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830781
+CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1,CHEMBL1534931
+OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1,bindingdb_27816
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C(F)(F)F)CCC2)cc1C(F)(F)F,bindingdb_1183153
+Cc1c(O)c(Cl)c(C)c2c1c(=O)oc1c(Cl)c(O)ccc12,CHEMBL203348
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1nc(C)c[nH]1,bindingdb_652612
+Cc1ccc2c(C(Nc3ccc(Cl)cc3)c3ccccc3Cl)c(C)[nH]c2c1,CHEMBL3109601
+CC(=O)NC[C@@H]1Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N(S(=O)(=O)c2cn(C(F)F)nc2C)[C@@H]1C,bindingdb_646236
+Cn1c(C#N)ccc1-c1ccc(NS(C)(=O)=O)c(C#N)c1,CHEMBL2203831
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)nc1,CHEMBL362914
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(C)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019045
+Cc1ccc(-n2nc(C)c(/C=N/n3c(C)nc4ccccc4c3=O)c2O)cc1,CHEMBL3196467
+CCc1cc(-c2nnn(CCC3COCCO3)c2CC)ccc1-c1cn(Cc2ccc3ccccc3c2)nn1,bindingdb_539858
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183843
+CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1,CHEMBL1271360
+O=S(=O)(Nc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1,CHEMBL3952612
+COc1ccc2oc(-c3ccccc3OC)cc(=O)c2c1,CHEMBL4278241
+COc1cccc(NS(=O)(=O)c2ccc3c(c2)C2C=CCC2C(c2ccc(C(=O)O)cc2)N3)c1,bindingdb_961168
+CSC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21,CHEMBL192765
+COC(c1nc(C(=O)NC2CCOCC2)sc1-c1cc(C(C)(C)C)cc(C2(C)CC2)c1)C1CCCCC1,bindingdb_649080
+CCN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL405428
+COc1cc(C(=O)N2CC(C)OCC2C2CC(O)C2)cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12,CHEMBL4114862
+CC(=O)NCC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652137
+Cc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3cccs3)sc2c1,bindingdb_69245
+CCCc1c(OCCCn2ccc3c(OC(C)(C)C(=O)O)cccc32)ccc2cc(C(=O)c3ccccc3)ccc12,CHEMBL216395
+Cc1cc(C)c(NC(=O)c2cc3c(nc4sccn43)s2)c(C)c1,CHEMBL1579795
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1184341
+COc1c(F)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_402480
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(F)CCS(=O)(=O)CC1,bindingdb_647808
+Cc1cc(-c2cccc3cc[nH]c23)c(C)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682420
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263648
+O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc43)cc2)S1,CHEMBL418695
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccn3)c2Cl)cc1,bindingdb_168567
+NC(=NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1,bindingdb_1000026
+Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1,CHEMBL3094368
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1,bindingdb_1018269
+COC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL361266
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184361
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(F)c1,CHEMBL4175728
+CCC(Cc1ccc(O)cc1)c1ccc(O)cn1,CHEMBL539462
+C=CCCC(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963523
+Cc1nn(-c2ccccc2)c2ncc(C(=O)N(CCN(C)C)c3ccc(Cl)cc3)c(Cl)c12,bindingdb_18606
+OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1,bindingdb_1183414
+C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@]43CC[C@H]5O)[C@@H]1CC[C@@H]2O,CHEMBL245575
+Cc1cccc(CN2C[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)C2)c1,CHEMBL4206713
+Cc1ccccc1Oc1ccc(C#N)c(Cl)c1,CHEMBL470204
+O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc21,CHEMBL426529
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC1CC1,bindingdb_652993
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCCC(F)(F)F)cc1OC,bindingdb_1183741
+CNc1cc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)ccc1C(=O)O,bindingdb_998196
+COC1CCN(C(=O)c2ccc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C1,bindingdb_647676
+Cc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1OCC(=O)O,CHEMBL1081602
+COc1ccc2c(c1)OCCN(C(=O)c1cc(O)no1)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4217811
+O=C(NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)c1cccnc1,bindingdb_649063
+Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3ccnc4c(Br)cccc34)CC2)no1,bindingdb_475905
+NNc1nc2sc3c(c2c(=O)[nH]1)CCc1ccccc1-3,bindingdb_91290
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc(OC(F)(F)F)c2)cc1,bindingdb_270488
+CC(C)(C#N)C(=O)N[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651865
+CCCCOc1cc(-c2nc3ccc(O)cc3o2)ccc1O,CHEMBL364110
+CCC[C@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_647171
+Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C,bindingdb_652079
+CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(C)(C)C)cc2)c1)C(=O)O,CHEMBL271877
+O=C(NC12CC(C1)C2)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645958
+N#CCc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL184151
+CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CHEMBL421729
+O=C(Nc1ccncc1)[C@@H]1CC[C@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@H]12,bindingdb_646715
+Cc1c(O)ccc2c1oc(=O)c1c(C)cccc12,CHEMBL204959
+O=C(O)c1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL4279753
+COc1cc(NC2CN(CCCF)C2)cnc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402051
+CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933823
+COc1nc2ccc([C@@](C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C,bindingdb_654697
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2CC2CCCCC2)c2ccccc12,bindingdb_653115
+O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3,bindingdb_17474
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1,bindingdb_1018482
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)[C@@H](O)C[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL2079386
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc(Br)c2)no1,CHEMBL1535636
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCC2(F)F)cc1C(F)(F)F,bindingdb_1183032
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CN1CC(O)C1,bindingdb_654899
+Cc1cccc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)c1,CHEMBL2204040
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2)N1CC(F)(F)F,bindingdb_403035
+Cn1nc(C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)oc1=O,bindingdb_646854
+O=C(c1ccc(OCCN2CC(CF)C2)cc1)c1c(-c2cccc(C(F)(F)F)c2F)cnc2cc(O)ccc12,bindingdb_1050049
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3CCC3)c2=O)nc1,bindingdb_646302
+CN(c1ccc(C(O)(c2nnn[nH]2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2069318
+CC(C)(Oc1ccc(CCCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204688
+O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1,CHEMBL3779912
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(C)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1184145
+CC(C)(C)OC(=O)N[C@@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(Cl)c2)C1,bindingdb_998175
+O=C(Cc1ccncc1)N[C@H]1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_653355
+NC(=O)Nc1cc(CC(c2ccccc2)c2ccccc2)ccn1,CHEMBL3643673
+C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,DB01183
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c2ccsc12,CHEMBL3640877
+CCCCc1cc(CC)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114126
+O=C1c2ccccc2C(=O)C1c1ccnc2ccccc12,bindingdb_961349
+O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1,CHEMBL2181925
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640824
+NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645513
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccc(C#N)cc23)C(F)(F)F)c(C)c1,CHEMBL3093450
+O=C(O)c1cccc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,CHEMBL3823564
+COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1,CHEMBL383404
+CC1(COC(c2ccc([C@]3(S(=O)(=O)c4ccc(F)cc4)CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C3)cc2)(C(F)(F)F)C(F)(F)F)CCCCC1,bindingdb_648933
+COc1ccc(C(=O)NC[C@H](Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1,CHEMBL230730
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C(C)C)C3(CC3)C1)cn2C,bindingdb_645498
+CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccc(N)cc3)cc21,CHEMBL1616144
+COC1(C)CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_647316
+CC(C)(c1ccccc1)c1ccc(O)cc1,bindingdb_692075
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c2CCNCC3)c(F)c1,bindingdb_648301
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-c5ncco5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263805
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc1,CHEMBL3335649
+Cn1ccc(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)cc1=O,bindingdb_652496
+C[C@@H]1[C@H](CNC(=O)Oc2ccccc2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N1S(=O)(=O)c1ccc(F)c(F)c1,bindingdb_653938
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB00324
+Cc1ccc(OCc2ccc(Br)cc2)c([N+](=O)[O-])n1,bindingdb_999714
+COC(=O)C1CCc2c(C3=CCC(C(=O)OC(C)(C)C)CC3)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_646190
+CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)[C@@H](S(=O)(=O)c3ccc(F)c(-c4ccccc4)c3)C2)CC1,bindingdb_646444
+CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(C(N)=O)cc1)c1ccccc1,CHEMBL1825121
+Cc1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_652472
+COc1ccccc1-c1nc(C)c(COc2cccc(C(=O)O)c2)o1,CHEMBL4214540
+CC(C)(C)c1cc(-c2nc(C(=O)NC3COC3)ncc2CC2CCCCC2)cc(C(C)(C)C)c1,bindingdb_647470
+O=C(O)/C=C/c1ccc(C2c3ccc(O)cc3CCN2c2ccccc2)cc1,CHEMBL3775344
+COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL226267
+C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2C1CCCCC1,CHEMBL1765950
+CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C,bindingdb_539826
+Cc1nc2ccc(Br)cc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,CHEMBL4104828
+CC(=O)NCCOC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1,CHEMBL456071
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(CCC#N)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_645672
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)O[C@H]4CCOC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4160849
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CC2CCN(CC(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_646548
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)cc1,CHEMBL3814806
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cc3)c(=O)n([C@H](C)C3CCC3)c2n1,bindingdb_647929
+C[C@]12CC[C@@H]3c4cc(-c5cccc6c5oc5ccccc56)c(O)cc4CC[C@H]3[C@@H]1CC(C(=O)O)C2O,CHEMBL4229166
+Cc1cc(C(F)(F)F)cc2c1c(Cc1c(Cl)cnc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)cn2C,bindingdb_206673
+CCOc1cccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)c1,CHEMBL238944
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)C3CCN(C(=O)OCc4ccccc4)CC3)cc12,CHEMBL3699348
+N#Cc1ccc(O[C@H](c2cnc(C3CC3)nc2)[C@H](CO)NC(=O)C(F)(F)F)c(Br)c1,CHEMBL4217184
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL590584
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2(C(F)(F)F)CCC2)cc1C(F)F,bindingdb_1184315
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN([C@@H](C)c4cnc(C(F)(F)F)nc4)CC2)O[C@@H](C)C3)nc1,bindingdb_126503
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(N4CCC(O)C4)ccc23)c(F)c1,bindingdb_654347
+CC(C)c1onc(-c2ccc(S(C)(=O)=O)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL466318
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3C3CC3)c3c(F)cccc32)cc1O,bindingdb_206273
+CCCc1nc2ccc(-c3ccc(OC)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4096447
+CCn1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)F)n1,bindingdb_651142
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)cc1)C(F)(F)F,CHEMBL429987
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1,CHEMBL3558130
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184068
+Cc1ccc(-n2c(COc3cccc4ccccc34)nnc2SCCC(=O)O)cc1,CHEMBL4284470
+CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3)cn2)CCO1,bindingdb_558648
+CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)ccc21,bindingdb_1175406
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H]3C[C@@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645824
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cncc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)no1,bindingdb_1017569
+Cn1nc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1C(=O)O,bindingdb_1018307
+O=C(N[C@@H]1CC[C@@H](O)C1)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183289
+COc1ccc2c(-c3c(Cl)cc(NC(=O)CC(=O)O)cc3Cl)cccc2c1C(C)C,CHEMBL196642
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(CCC(=O)O)cc1,CHEMBL363327
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(-c3ccncc3)o2)C1=O,CHEMBL3234860
+COc1cc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,CHEMBL1390795
+O=C(O)[C@H]1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645914
+CC(C)n1nc(NC(=O)C2CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598278
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)c(F)c1,bindingdb_998368
+N=c1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,CHEMBL1390708
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC[C@H](n3cnnc3)C2)cc1F,bindingdb_649417
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC2CC2)cc1OC(F)F,bindingdb_1183051
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2OCCC3)c(F)c1,bindingdb_654205
+O=C(NS(=O)(=O)c1cn[nH]c1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018213
+Cc1c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2C[C@@H](C)C(=O)O)ccnc1OCCN(C)CCCF,bindingdb_401135
+Cc1cc(C)n2c(NC3CCCC3)c(-c3cc4ccccc4o3)nc2n1,bindingdb_999542
+CN(CCn1ccnc1)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_649698
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccccc2)cc1,CHEMBL3990520
+CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)o1,bindingdb_292546
+CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(=O)O,CHEMBL551480
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2/C1=[N+](/C)[O-],CHEMBL249438
+C[C@]12Cc3cnn(C4CCCCC4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccccn1,CHEMBL2022658
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(Cl)c3)c(C(=O)c3cccc(F)c3)s2)cc1,CHEMBL3105671
+CC1(C)Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F,bindingdb_401207
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)O)c2)s1,bindingdb_650695
+O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl,bindingdb_1723
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)Nc1ccc2ncsc2c1,bindingdb_649057
+N#Cc1ccc2[nH]c3c(c2c1)CCCC3(O)C(F)(F)F,CHEMBL1289013
+CN1CC[C@H](N2C(=O)S/C(=C\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@@H](F)C1,CHEMBL4164196
+O=c1c(O)c(-c2ccccc2)oc2ccccc12,CHEMBL294009
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O,CHEMBL2147569
+CCC1(CC(O)(CNC(=O)c2cnn(-c3ccccc3)c2N)C(F)(F)F)CCCc2ccccc21,CHEMBL394168
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(S(C)(=O)=O)c1,CHEMBL3358940
+NC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464408
+O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1,CHEMBL3921236
+COc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(CN4CCCCC4)c(O)c3c2=O)cc1,CHEMBL1431591
+COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nc3Oc3c(F)cccc32)cc1,CHEMBL3315060
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NN3CCOCC3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_652235
+Cc1nc2ccccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL595482
+Cn1c(N)nc2ncc(-c3ccccc3)cc21,DB08398
+Cc1ccc(-n2ncc3ccccc3c2=O)cc1Cl,bindingdb_999716
+N#Cc1cc2c(nc1-c1cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c1)CCOC2,bindingdb_1019076
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)(F)F,bindingdb_1182990
+CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(F)cc3)c2c1C,bindingdb_112121
+CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,CHEMBL4288877
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_651471
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(F)(F)F)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL231413
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184043
+COC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1,bindingdb_475812
+Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(CC(C)(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1,CHEMBL366335
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cc(C)[nH]n1,bindingdb_652476
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961381
+CC(C)CC(NC(=O)CCCNC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3)C(=O)O,bindingdb_35517
+CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br,CHEMBL381937
+O=C1CCC(=O)N1CCCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1087557
+CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,CHEMBL1591
+O=C(/C=C/c1ccc(O)cc1)c1cc(Cl)ccc1O,CHEMBL1981815
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CC[C@@H](n3cnnc3)[C@@H](O)C2)cc1F,bindingdb_648159
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(N)CC1)O2)C(F)(F)F,bindingdb_647503
+CNCCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1,CHEMBL3290283
+FC(F)(F)c1cccc(CN(CCCOc2ccc3[nH]ccc3c2)CC(c2ccccc2)c2ccccc2)c1Cl,bindingdb_1000152
+COc1ccc(NC(c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1OC,CHEMBL3109596
+Cc1cc(Cl)ccc1Oc1ncnc2oc(-c3ccccc3)cc12,bindingdb_112207
+CSC1=NC(C)(C)CC2(CC(c3ccccc3)Oc3cc(O)ccc32)N1,bindingdb_112187
+CC(C)(N)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645978
+COC(=O)c1sc2nc3c(cc2c1N)CCCC3,bindingdb_999758
+CCc1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2,CHEMBL1929038
+Oc1cccc(-c2ccc3cc(O)ccc3c2)c1,CHEMBL195217
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCCC3)c(Oc3ccc(C#N)cc3)c(Cl)c2c1,bindingdb_1183736
+COc1nc2ccc(C(O)(c3ccc(F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183112
+Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1,CHEMBL1090443
+Cc1ccc(C2=CCC(C)(C)c3ccc(C#Cc4ccc(C(=O)O)cc4)cc32)cc1,CHEMBL358145
+Cc1nnc(=O)[nH]c1N=NCc1cccs1,bindingdb_112222
+COc1ccc(CCOC(=O)Cc2ccc(SCc3ccccc3C(=O)O)cc2)cc1OC,bindingdb_1003780
+CCSCC(C)(C)n1[nH]c2ccccc2c1=O,bindingdb_999591
+CCCCC12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2,CHEMBL378675
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017663
+Cc1nn(C(C)C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168461
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2sc(-c3cccc(C(=O)O)c3)cc2c1,CHEMBL558267
+COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccccc43)noc2c1,CHEMBL1947143
+CCC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccccc1,bindingdb_1004643
+CO[C@@H](Cc1ccc(C#CCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL182230
+NC(=O)C(C1CCOCC1)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988772
+CCC(C)OC(=O)N1CCN(c2ccc(F)c(S(C)(=O)=O)c2)CC1c1ccccc1,bindingdb_1004674
+O=C(O)c1ccc(C(O)C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c(F)c1,bindingdb_1017396
+CC(C)CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_830843
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(N[C@@H](C)C(N)=O)cc2)c(C)c1,CHEMBL1668076
+CC(C)[C@@H](C)[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4085972
+C#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2,CHEMBL250301
+COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCCC2CCSS2)c(Cl)c1,CHEMBL448790
+CC(C)(O)[C@@H](N)C(=O)NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647454
+NC(=NOC(=O)c1cc(Br)ccc1Cl)c1ccccn1,bindingdb_672366
+CCCC(CCC)(c1ccc(O)c(C)c1)c1cc(C)cs1,CHEMBL4225888
+Cc1ccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)cc1,CHEMBL2381201
+N#Cc1ccc(C(O)(C2CCC2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3819393
+Cc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706896
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,3wt5
+O=C1NC(=O)C2(CCC(C(=O)N3CCC4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5OCC34)CC2)N1,bindingdb_645988
+COc1ccc(C(=O)n2c(C)c(Cc3ccccc3OC(C)(C)C(=O)O)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL361395
+CCS(=O)(=O)c1ccc([C@@H](COC(N)=O)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_270801
+CC(C)CN(Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)S(=O)(=O)Cc1ccccc1,CHEMBL3263709
+Cn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183956
+N#Cc1cc(F)cc(-c2ccc3nc(O)n(C4CCCC4)c3c2)c1,CHEMBL187488
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NC(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017998
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccccc1,CHEMBL3593816
+COc1cc(C(=O)O)cc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc12,bindingdb_1018207
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc([C@H]2CC[C@@H](C(=O)O)CC2)c2c(F)cccc21,bindingdb_645549
+Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)O,CHEMBL213849
+CCCc1nc2ccc(C(O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL1214887
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCc4ccc(C(C)C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018473
+CCCCCCOc1c(C)cc(C(=O)CCN(C)C)cc1C,CHEMBL549482
+COc1cccc(F)c1C(=O)c1cn(-c2ccc(C(=O)O)cc2)c2c(F)cccc12,bindingdb_651673
+CCCc1nc2ccc(-c3ccc(Cl)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4080865
+Cc1cc(SCc2cnc(-c3ccc(C(F)(F)F)c(F)c3)s2)ccc1OCC(=O)O,CHEMBL3786533
+O/N=C/c1c(Cl)cc(-c2ccc(O)c(F)c2)cc1Cl,CHEMBL438516
+Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CHEMBL1491551
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCS(=O)(=O)CC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184129
+CC1(NC(=O)c2c(F)cccc2CC[C@]2(O)CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)CC1,CHEMBL2147565
+Fc1ccc(F)c(CN2CCn3nnnc3C2c2cccc(F)c2F)c1,bindingdb_648029
+O=C1[C@H]2C3CCC(C3)N2C(=O)N1c1cccc(C(F)(F)F)c1,CHEMBL255776
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1183661
+CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1,bindingdb_584462
+Cc1cc(C(F)(F)F)nn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)nc12,bindingdb_206285
+Cc1cccc(S(=O)(=O)N2CCCc3ncc(NC(=O)c4c(F)cccc4Cl)cc32)c1,bindingdb_998166
+Oc1ccc2oc(-c3ccc(O)c(Cl)c3)nc2c1,CHEMBL362349
+Nc1nc(-c2ccco2)c(-c2ccco2)s1,CHEMBL1424486
+CC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1,bindingdb_982734
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F,bindingdb_1184065
+O=C1CC[n+]2c([nH]c3ccccc32)[C-]1C(=O)Nc1ccccc1[N+](=O)[O-],bindingdb_403922
+C=CCCCON=C(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3787225
+COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,CHEMBL445978
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4CC5CC(C4)CC3C5)cc2)cc1,CHEMBL184371
+COc1cc(S(=O)(=O)N2C[C@@H](CNC(C)=O)Cc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647686
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OC)c(C#N)c4)cc3)C(=O)[C@H]3CC[C@H](O)CC3)nccc2c1,bindingdb_1017784
+C/N=C1\SC(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C,CHEMBL3208616
+CCO[C@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)N(C)OC,bindingdb_949596
+CC(C)CN(c1ccc(C(O)(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl,CHEMBL2070366
+COc1cccc(C(=O)COc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1,bindingdb_1761
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_652405
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccccc1F)C2,CHEMBL256383
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2ccccc2)cc1,CHEMBL477318
+Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccc(Br)cc1-2,CHEMBL1620132
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccc(Cl)cc3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168447
+N#Cc1ccc(CN2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1F,bindingdb_645563
+CCN(C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl)C1CCC1,bindingdb_646749
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N(C)CC3CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4228566
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O,CHEMBL2314757
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263747
+CC(C)CN(Cc1ccc(-c2cccc(CC(N)=O)c2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3264012
+CC1=C(SCCC#N)S/C(=C2\SC(C)=C(SCCC#N)S2)S1,CHEMBL1407483
+CCOCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C,CHEMBL512879
+CC(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cc5)c4)(CC2)CC3)no1,bindingdb_1017487
+OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F,CHEMBL1094207
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1cnc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403961
+O=C(O)C1Nc2c(C(=O)N3CCOCC3)cccc2C2C=CCC12,CHEMBL1570659
+CCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)ccc12,bindingdb_1778
+CS(=O)(=O)c1cccc(Oc2cccc(-n3c(-c4ccccc4)nc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL595224
+Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)c(C)c1,CHEMBL1407108
+O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1,CHEMBL3600934
+Cc1cn(C)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_18546
+COc1cc(C(F)(F)F)ccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3699370
+COc1cc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)ccc1C,CHEMBL603612
+Clc1ccc(Nc2ccc3ccccc3n2)cc1,bindingdb_999821
+COc1ccc(-c2nc3ccccc3n2[C@H](C(=O)NC2CCCCC2)C2CCCCC2)c(OC)c1,bindingdb_846265
+N#Cc1ccc(C2CCCCC2O)cc1C(F)(F)F,CHEMBL501627
+O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1-c1ccccc1,CHEMBL520083
+Oc1ccc2c(c1)SCCC(c1ccc(OCF)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401932
+C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL352837
+COc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc3ccccc3c2=O)cc1,CHEMBL4068985
+CC(C)CNC(=O)CCc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1,CHEMBL393967
+N#CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645479
+CCOC(=O)N1C[C@@H](CCc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](C(=O)O)C1,CHEMBL3398455
+C=CCNCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL204191
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC1(F)COC1,bindingdb_403853
+COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)cc2oc1=O,CHEMBL458221
+CC(/C=C/CC1(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1)=C\C(=O)O,CHEMBL89581
+CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL3264921
+CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1,bindingdb_1763
+Cc1c(-c2cc[nH]n2)cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N,bindingdb_958538
+O=C(O)c1cc(C2CCOCC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1019084
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(CO)C3)c(F)c1,bindingdb_653315
+CC(C)c1onc(-c2c(Cl)cncc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL469135
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,CHEMBL1480
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270529
+COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](NC(=O)C(C)(F)F)C(C)C)cn1,CHEMBL4208798
+Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12,bindingdb_539965
+COc1cccc(F)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCC(C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_649843
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ccn(C[C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654389
+CCc1cc(C(=O)O)c2ncc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2c1,bindingdb_1017756
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2C(=O)O)c1,CHEMBL515106
+CCOc1ccc(CN2CCn3nnnc3C2c2cccc(F)c2F)cc1,bindingdb_647946
+CCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,bindingdb_112056
+COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1,CHEMBL1525853
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ncc(Cl)cc3Cl)c(F)c2)cc1,bindingdb_647030
+O=C1CN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC(=O)N1,bindingdb_648920
+CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CCC1)C2c1cc2ccccc2n1Cc1ccccc1,CHEMBL4214332
+COc1ccccc1-c1ccc2c(c1)C(CSc1ccc(Cl)cc1)=CC(C)(C)N2,CHEMBL205414
+CC1=CC(C)(C)Nc2ccc3c(c21)C(CCC(C)C)Oc1ccccc1-3,CHEMBL114607
+O=C(O)c1ccc(N2CCCC2)c2ccccc12,CHEMBL3402220
+C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074226
+CCc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2,CHEMBL1682421
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1182992
+CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_647807
+Cc1cc2c(cc1C)NC(c1c(C)n(C)n(-c3ccccc3)c1=O)C1=C(O)CC(C)(C)CC1=N2,CHEMBL1409120
+N#CC(C#N)=C1NC(N)=C(C#N)C(c2ccccc2)=C1C#N,CHEMBL1303255
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccccc3)n2)c1,CHEMBL1087581
+O=C(COC(=O)CCN1C(=O)C2CC=CCC2C1=O)NCCc1ccccc1,bindingdb_292615
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(C(F)F)C2)C3)CC1,bindingdb_645415
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCC[C@H]1C(=O)Nc1ccccc1F,bindingdb_650724
+CC(C)(O)C(=O)NCC1C2CCc3cc(I)ccc3C21S(=O)(=O)c1ccc(F)cc1,bindingdb_647810
+Cc1nn(CC(F)(F)CO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337829
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2)N1CC1(F)COC1,bindingdb_401127
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(Oc3ccccc3)c2)cc1,CHEMBL3314040
+Cc1nccn1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,CHEMBL525360
+Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)c1,CHEMBL93705
+CC1=CC(O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C(=O)C2C13CO,bindingdb_292632
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)cc12,CHEMBL3695863
+CC1(C)CN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC[C@]1(O)c1ccc(Cl)cc1,bindingdb_652323
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccs4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018602
+COc1cccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1OC,bindingdb_109173
+COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1,CHEMBL1619911
+C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O,CHEMBL4073499
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F,bindingdb_1183725
+C[C@]12O[C@@](C)(C[C@H]1C(=O)O)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL3623115
+O=C1C(=C2CCc3ccccc32)Cc2ccccc21,bindingdb_999743
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(=O)(=O)CC)cn2)nc2cnc(-c3c(OC)ncnc3C3CC3)nc21,bindingdb_647422
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(OCC(=O)O)cc2)c(C(F)(F)F)n1,CHEMBL1209113
+CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1,bindingdb_475765
+O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1,CHEMBL3678096
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(Cc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417527
+CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1,CHEMBL3699371
+Clc1ccc(C2CC(c3ccccc3)=Nc3ncnn32)cc1,bindingdb_972689
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCCC1)c1ccccc1CC2,CHEMBL3763536
+COc1cc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC,bindingdb_87230
+O=C(O)c1cccc([C@H]2C[C@](O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,CHEMBL3822901
+C[C@]1(c2ccc(F)cc2)CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648635
+CCC(C(=O)NC)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645056
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_206379
+Cc1ccccc1-n1c(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1,CHEMBL3196509
+COc1ccc2c(c1)CO[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,CHEMBL179929
+N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,CHEMBL1444
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6cc(C(F)(F)F)ccn6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1018634
+CCN(CC(O)c1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL448111
+CC1(C)C(=O)N(c2ccc(C#N)cc2)C(=O)c2ccccc21,CHEMBL479957
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)O)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL231514
+COc1cc(NC2CN(CCC(F)(F)F)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_402301
+CCOC(=O)c1cccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)c1,bindingdb_846216
+Oc1cc(CSc2nnnn2-c2ccccc2)nc(Nc2ccc(F)cc2)n1,CHEMBL1468795
+CN(C)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c32)cc1,CHEMBL371072
+CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1,CHEMBL1573688
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(OC3CC3)cc(C(=O)O)cc2s1,bindingdb_1017530
+O=C(O)c1ccc(NC(=O)[C@H](C2CCCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1,bindingdb_846311
+NC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCCC1,bindingdb_651055
+Cc1nc(N=CN(C)C)sc1C(=O)Nc1ccccc1,bindingdb_982750
+COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(=O)O)c3)c(OCc3ccc(OC)cc3)c2)cc1,CHEMBL4237642
+C=CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147556
+NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL789
+CC(C)S(=O)(=O)NC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018483
+COc1ccc(-c2noc(CCCC(=O)O)n2)cc1,bindingdb_760417
+COc1cc2c(cc1NC(=O)c1cnn3ccc(N[C@@H]4CCCNC4)nc13)CC(C)(C)O2,bindingdb_1127510
+C[C@H](CF)CN1C(c2c(F)cc(/C=C/C(=O)O)cc2F)c2[nH]c3ccccc3c2CC1(C)C,bindingdb_401240
+CCn1cc(S(=O)(=O)N2C[C@@H](CC3(C(=O)O)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645649
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCc3ccnc(OC)c3)c(S(C)(=N)=O)c2)cc1,bindingdb_654511
+Cc1oc(-c2ccc(-c3ncccn3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1,CHEMBL223128
+CC(=O)NCCCCCCCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018169
+NS(=O)(=O)c1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1,bindingdb_1018575
+CCc1cc(OC)cc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL202896
+O=C(O)c1cc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CO4)n2)ccc1F,bindingdb_1018976
+O=C1CCC2(Cc3ccccc3)Cc3cc(O)ccc3C2=C1c1ccc(O)cc1,CHEMBL214972
+COc1cc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc(OC)c1OC,bindingdb_584491
+COC(=O)C(=CC1(C)CC2C=CC1CC2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC,CHEMBL391046
+CC1(C)[C@H]2CC[C@]1(c1cncc(-n3cnc(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651772
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(N)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017606
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CCC3(CC3)C[C@@H]12,CHEMBL4175639
+CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1,CHEMBL1498999
+C=C(c1ccccc1)[C@@]12CC[C@H](OC(C)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765962
+CC(C)(C)c1ccc(CN(CCOc2ccc(CCC(=O)O)cc2)c2nc3ccccc3s2)cc1,CHEMBL247507
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)NS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647931
+Cn1cc(NC(=O)c2cc(NC(=O)CCS(C)(=O)=O)cn2C)cc1C(=O)NCCCC(=O)NCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL1818254
+Cc1oc(-c2ccccc2)nc1CCOc1ncc(CC2(C(=O)O)CCCO2)cn1,CHEMBL385974
+Cc1csc(-c2ccc(C(=O)NCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)cc2)n1,CHEMBL403637
+CC(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1,CHEMBL396041
+COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CC(=O)O)c2)cc1,CHEMBL3393185
+O=C(O)c1ccc(-c2nn(C(=O)c3c(C4(C(F)F)CC4)ccc(F)c3Cl)c3cccnc23)c(F)c1,bindingdb_646345
+CN1C(=O)c2ccccc2C2CN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC21,bindingdb_648154
+Cc1ccccc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2ccccn2)C1,CHEMBL3735549
+O=c1oc2cc(O)ccc2c(Nc2ccc(OCCN3CCCC3)cc2)c1-c1ccc(O)cc1,CHEMBL4159678
+CC1=C(c2ccc(C#N)c(Cl)c2C)C(=O)N2CC[C@H](O)[C@@H]12,CHEMBL395483
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccncc2)CC1,CHEMBL1434556
+CC(C)CN(Cc1ccc(-c2ccc(=O)[nH]c2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263703
+Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)s2)cc1,CHEMBL2332580
+COc1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_652551
+CC(O)(COc1ccc([N-]C#[S+])cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_1074207
+O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,DB13155
+Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL365290
+CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)cc1C(C)(C)C,CHEMBL3939687
+Nc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,bindingdb_1000074
+COc1ccc(C2c3nnnn3CCN2Cc2cn(-c3ccccc3)nc2C(C)C)cc1,bindingdb_653015
+CCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(C)c(C(=O)NC[C@H]2CC[C@H](C)CC2)nn1CC,bindingdb_1183290
+CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_647516
+NC(=O)C(c1ccncc1)N1CC[C@@](O)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988869
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)c3noc(=O)[nH]3)Oc3ccc(N(C(=O)[O-])C(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_652319
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O,CHEMBL197101
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@H]2C(=O)O)c1,CHEMBL3398439
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COC)c1ccccc1,CHEMBL215598
+O=C(O)[C@@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCCC3)C[C@H]1O,bindingdb_653404
+COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CHEMBL3623095
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCOC)n1,bindingdb_645335
+CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCC2,CHEMBL1669772
+COc1cc(N[C@H](C)C(F)(F)F)ccc1-c1c(Cl)c(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)nn1CC(C)C,bindingdb_1184081
+O=Cc1cccc2c1c(-c1ccc(C(=O)O)cc1)nn2C(=O)c1c(Cl)cccc1C(F)(F)F,bindingdb_648991
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(CC)(c2ccc(OC)cc2)C1=O,CHEMBL3590260
+CCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1085853
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(Oc3ccc(C#N)cc3)c(Cl)c2c1,bindingdb_645592
+CCOC(=O)N1CC(NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C(O)c2ccccc21,bindingdb_646609
+N#Cc1cccc(S(=O)(=O)N2C[C@H](CN3C(=O)COC3=O)Oc3ccc(NC(=O)O[C@@H]4C[C@@H]5CC[C@H]4C5)cc32)c1,bindingdb_648464
+CC(C)c1cc(Cc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,CHEMBL3261332
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)cc(Cl)c3)cc21,CHEMBL4160620
+COCc1cc(CN2CCCC2)c(O)c2ncccc12,bindingdb_760490
+COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)c1,bindingdb_584488
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678131
+CC(C)=CCc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2,CHEMBL1537093
+COc1ccc(Cn2c(-c3ccc(C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1,bindingdb_112085
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1Cl)c1ccccc1,CHEMBL1825128
+Cc1cc(CN2Cc3cccnc3CC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643203
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3ncn(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652224
+COc1ccc(C(=O)n2c(C)c(Cc3ccccc3OC(C)C(=O)O)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL181628
+O=C1C(=O)N(CCN2CCOCC2)C(c2cccc(F)c2)C1C(=O)c1cc2ccccc2o1,bindingdb_953773
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc2[nH]cnc2c1,bindingdb_653125
+C[C@@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1,CHEMBL3640864
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCC(CF)C2)cc1,bindingdb_961331
+Oc1cccc2c1[nH]c1ccc(Br)cc12,CHEMBL1288956
+Oc1ccc2c(-c3cc(Cl)c(O)cc3O)noc2c1,CHEMBL362307
+CCN(CC)C(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC,CHEMBL1445011
+CN(C)C=NC(=S)Nc1ccc(Cl)cc1,bindingdb_999889
+Cc1c(N)cccc1C[C@@H](C)NC(=O)C(F)(F)F,bindingdb_402503
+Cc1ccccc1OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CHEMBL1087339
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC3(C)CCC3)ccc2O1,bindingdb_645724
+COc1ccc2c(c1)C1CC1(C(=O)N1CCN(C(=O)N(C)C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126656
+O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12,CHEMBL1493034
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3c2CCCC3)c(F)c1,bindingdb_998270
+Oc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)cc1,CHEMBL222434
+CN(CCOc1ccc(CC(Oc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL65805
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(F)c(-c4cncnc4)cc3F)C[C@@]21C,bindingdb_168454
+CC(C)[C@@H](O)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_646283
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1cscc1C,CHEMBL3581681
+CCn1c(Cc2ccc(C(F)(F)F)cc2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206250
+CC(=O)C1C(=O)C(=O)N(Cc2ccccc2)C1c1ccco1,bindingdb_34120
+CC(=O)Nc1cc(-c2ccc(Cl)cc2)n[nH]1,bindingdb_958562
+CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1)c1ccccc1,CHEMBL3678099
+CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CCN2CCOCC2)c(C)c1,CHEMBL550090
+COc1ccc(C(=O)Nn2c(SCC(=O)NCC3CCCO3)nc3ccccc3c2=O)cc1,bindingdb_584116
+COc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)c1,CHEMBL426550
+CC(C)c1ccc(NC(=O)c2cnc3c(cnn3Cc3nccn3C)c2Cl)cc1,bindingdb_168419
+Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCCC(C)CC(=O)O)cc1,bindingdb_1002224
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ccc(OC3CN(CCCF)C3)cn2)N1CC(F)(F)CO,bindingdb_17592
+CC(C)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2ccc3[nH]nc(F)c3c2C[C@H]1C,bindingdb_402596
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182826
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)cc12,CHEMBL3736463
+CCOc1cc(C2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1Cl,CHEMBL2385743
+CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC,CHEMBL250702
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)c(C(F)(F)F)c3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511733
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(C)c3)c(F)c2)CC1,bindingdb_654761
+Oc1ccc2c(c1)CC[C@H](c1ccc(F)cc1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961319
+N#Cc1cc(F)cc(-c2ccc3c(c2)C(c2ccc(Cl)s2)(c2ccc(Cl)s2)OCC(=O)N3)c1,CHEMBL521049
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(C3)CS(=O)(=O)C4)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,CHEMBL4127932
+O=C(N1CCC(O)(CO)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645034
+Oc1c(Cc2ccccc2)ccc2c1[nH]c1cc(Cl)c(Cl)cc12,CHEMBL1290518
+CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3cccc(C#N)c3)ccc21,CHEMBL4225334
+Fc1ccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)cc1,CHEMBL4091239
+O=C(O)c1ccc(-n2cc3c(n2)CCC(c2ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C3)cc1,bindingdb_650643
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1,CHEMBL360240
+CC(C)(Oc1ccc(CCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204690
+CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O,CHEMBL153057
+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(F)c1,CHEMBL1164485
+CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,CHEMBL3122141
+O=C(CC=Nc1ccc2c(c1)OCO2)c1cccs1,bindingdb_69194
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_1183249
+CC(C)CN1[C@H](c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CC1(C)C,CHEMBL3775540
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1,CHEMBL1801008
+C[C@H](O)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649967
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)C(=O)O)n3)nc2CN2CC(F)(F)C[C@@H]2C)c(C(F)F)c1F)C(F)(F)F,bindingdb_645224
+COc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)c(C)c1,CHEMBL4212325
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183263
+O=c1[nH]nc(Cc2c(Cl)ccc(Cl)c2Cl)c2ccccc12,CHEMBL3622590
+CN(c1ccc(C(O)(c2cccs2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070347
+Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CC(F)(F)C[C@@H]32)cc1,bindingdb_1157653
+CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCCO)cc1C(C)(C)C,CHEMBL3960035
+CCC1Nc2cc3oc(=O)cc(C(F)(F)F)c3cc2CC1C,CHEMBL6654
+O=C(NCc1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,bindingdb_112061
+O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccncc2)nc2ccccc21,CHEMBL1642349
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3c(C4CC4)ncnc3C3CC3)nc21,bindingdb_649118
+Oc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL283337
+CCn1nc(OC)c(S(=O)(=O)N2C[C@H](CC(C)(C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1C,bindingdb_647036
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O,CHEMBL3589803
+CC(C)N(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1coc(CS(C)(=O)=O)n1,bindingdb_653127
+O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccccc1F,bindingdb_69320
+CN(C)CCOc1ccc(Nc2nc(-c3ccc(O)cc3)nc(Cl)c2-c2ccccc2)cc1,CHEMBL4239984
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C#N)cc2)[C@@H]3[C@H]2CCOC2)cc1,bindingdb_646342
+COc1ccc2c(c1C)c(=O)oc1c(C)c(O)ccc12,CHEMBL205614
+Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)C2CCCCC2)c(C)c1,CHEMBL1393680
+CCCCC12CCC(=O)C(CCC)=C1c1ccc3[nH]nnc3c1C2,CHEMBL380188
+COCCCOc1cc(C(=O)O)cc2ccc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)nc12,bindingdb_1018996
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1C[C@H](C)N(C(=O)C3CCCC3)C[C@H]1C)cn2C,bindingdb_646507
+C[C@@H]1c2c(ccc(O)c2F)O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL180146
+c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1,bindingdb_760259
+Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1075835
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1182788
+COc1cc(-c2nc3ccccc3c(=O)n2N)cc(OC)c1OC,bindingdb_672426
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3)nc21,CHEMBL4302578
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(C(C)(C)O)cn1,bindingdb_653368
+CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)O)cc(=O)c3c2Cl)ccc1O,CHEMBL250880
+CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1)C(=O)O,CHEMBL89152
+COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)cc(C)n1,CHEMBL3976470
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(C#N)cc1C,CHEMBL3581691
+O=C1c2cc(O)ccc2-c2c1c1ccc(O)cc1c(=O)n2-c1ccc(OCCN2CCCCC2)cc1,CHEMBL3827784
+O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3734774
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL300629
+C[C@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL4074521
+CCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21,CHEMBL225022
+CC1(C)CCC(C)(C)c2nc(-c3cc(-c4ccc(C(=O)O)cc4)cs3)cnc21,CHEMBL131850
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654915
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054346
+C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CCC21)C(=O)O,CHEMBL2382123
+COc1ccc2sc(S[C@H](C)C(=O)O)nc2c1,CHEMBL572662
+Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(OCCN2CCCCC2)cc1,CHEMBL101382
+CCN(CC)C(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1,bindingdb_672573
+CCOC(=O)c1ccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1,CHEMBL63932
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CSC3)nc2CC2CCCCC2)cc1C(C)(C)O,bindingdb_650156
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)cc12,CHEMBL3699355
+CC(C)Oc1cc(Cl)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2c1C(=O)O,bindingdb_1018919
+CN(C)c1ccc(/N=N/c2ccccc2Br)cc1,bindingdb_999596
+CCn1c2c(c3cc(O)ccc31)CSc1ccccc1-2,CHEMBL207550
+CS(=O)(=O)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)cc1,bindingdb_403140
+C[C@](O)(COc1ccc(Br)cc1F)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3233072
+OCc1sc(N2CCOCC2)nc1-c1ccccc1,CHEMBL3323480
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC2(O)CCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1183122
+CC(C)(C)c1ccc(C(=O)NCc2ccc(OCC(=O)O)cc2)cc1,CHEMBL4093296
+Cc1ccc(C(=O)CC(Nc2ccc(C(F)(F)F)cc2)c2cccc(F)c2)cc1,CHEMBL1163581
+C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O,CHEMBL3958704
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)F,bindingdb_1183476
+CCCn1cncc1/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,bindingdb_401561
+CCCCCc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)cc1,CHEMBL4087804
+CC(C)(C)OC(=O)n1c(-c2cccc(CCNS(=O)(=O)c3ccccc3)c2)cc2ccccc21,CHEMBL233569
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(C)c(F)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263861
+CCCC[C@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O,CHEMBL1170076
+CC(C)N(C(=O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1)C(C)C,CHEMBL2349049
+Cc1c(NC(=O)c2cc(O)cc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C,bindingdb_646663
+CC(=O)c1cn(CCOc2ccccc2C)c2ccccc12,bindingdb_539898
+NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1,CHEMBL1363571
+CCOc1cnc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017707
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ncc(C#N)cn1,bindingdb_651795
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,DB00635
+COc1cc2c(cc1NC(=O)c1cnn3ccc(NCCN)nc13)CC(C)(C)O2,bindingdb_1127384
+C[C@@H]1CC(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC[C@H]1C(=O)O,bindingdb_649735
+COc1nc2ccc([C@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1,bindingdb_652792
+O=C(O)C[C@@H]1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645684
+CN(C)[C@H]1CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_646836
+Cc1nn(-c2ccc(I)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417691
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(C)(=O)=O,bindingdb_646767
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2CC(C)(C)N1C[C@H](C)C(=O)O,bindingdb_400899
+CC(C)Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(C(F)(F)F)c1,bindingdb_401073
+Cn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O,bindingdb_1000058
+CCOc1sc(C(F)(F)F)nc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_654155
+C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1,CHEMBL1765933
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCO2)nc1,CHEMBL218591
+CCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3586191
+COc1ccc2c(c1)CCN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c1)C2,bindingdb_598258
+Cn1ccc2c1CCc1c-2n(C)c2ccc(O)cc12,CHEMBL382640
+CN(C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1,CHEMBL513904
+CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1cccc(C(C)C)c1,CHEMBL3695916
+Cc1ccc(C)c(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)c1,bindingdb_292600
+Cc1c(O)ccc2c1oc(=O)c1c(C)c(NC=O)ccc12,CHEMBL204341
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263629
+N#CC1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(N=[N+]=[N-])cc3)C2)CC1,bindingdb_648243
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCN(C)CCCF)c2C(F)F)N1C[C@H](C)C(=O)O,bindingdb_402979
+CCOC(=O)C1=c2c(=Cc3ccccc3OC)c(N)c(C#N)n2C(=O)C(c2ccccc2OC)S1,bindingdb_401158
+CNC(=O)c1ccc([C@@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@@H]2C)cn1,CHEMBL2337515
+CCc1cc(NCC(C)C)nc(NCC(C)C)n1,CHEMBL484451
+COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C,bindingdb_1026184
+CCN(CC)CCOc1ccc(Nc2cc(Cl)nc(-c3ccc(OC)cc3)n2)cc1,CHEMBL4246128
+CCCc1cccc(Cl)c1/C=C1/C(=O)N(c2ccc(C(=O)O)cc2)c2cccc(F)c21,bindingdb_646537
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C1=CCN(C)CC1,bindingdb_54962
+COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1,bindingdb_539956
+COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(OC)cc2)cc1,CHEMBL3234267
+O=C(C1CCC1)N(CC12CCC(c3nc(CC4CC4)no3)(CC1)CC2)c1cccc(-c2nc(CC3CC3)no2)c1,bindingdb_1018665
+C[C@]12C[C@H](c3ccc(OCCCCCS(=O)(=O)C(F)(F)C(F)(F)F)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2036561
+N#C/C(=C/c1ccccc1)c1nn(CCO)c(N)c1C#N,bindingdb_958533
+CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322437
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NCC(C)(C)C)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183880
+COc1ccc(/C=C/C(O)=C2\C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1,CHEMBL1461750
+Cc1ccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)cc1,CHEMBL256544
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,3vru
+CCn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1,CHEMBL4104804
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC(C)(O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1183989
+O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1,bindingdb_206597
+CCC(Cc1ccc(C(=O)NCc2ccccc2C)cc1)C(=O)O,CHEMBL3763373
+CC(=CC(=O)c1sccc1Cl)N(C)C,bindingdb_1000006
+CCc1onc(-c2c(Cl)cccc2Cl)c1COc1cc(C)c(/C=C/c2ccc(C(=O)O)cc2)c(C)c1,CHEMBL101547
+Fc1ccc(CN2CCn3nnnc3C2c2ccc3c(c2)OCCO3)cc1,bindingdb_653247
+C[C@](O)(CBr)C(=O)Nc1ccc(C#N)nc1,bindingdb_476111
+O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCc1ccc(-n2cccn2)cc1,bindingdb_988735
+CCCN1CCN(c2ccc(C(=O)CCN(C)C)cc2)CC1,CHEMBL560310
+CN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1,CHEMBL559742
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12,CHEMBL257668
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC[C@@H](O)CO)n1,bindingdb_645523
+COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C,bindingdb_1680
+CC1(c2nc(-c3cccc(N(CC45CCC(c6ccc(C(F)(F)F)cn6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)no2)CC1,bindingdb_1017492
+CN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1,bindingdb_539810
+COc1cc(O)c2c(c1C(=O)NCc1cc(OC(C)=O)cc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL1945212
+CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2,bindingdb_961296
+N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(-c3cccnc3)c2)c1,bindingdb_598479
+Oc1ccc2c(c1)O[C@H](c1ccc(OCCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087546
+CCn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)nc2c(C)cc(C#N)cc21,bindingdb_647863
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_401937
+O=C(O)c1ccc([N+](=O)[O-])c2c1NC(c1ccccc1)C1CC=CC21,CHEMBL1489669
+CCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C,CHEMBL1459742
+CC(C(=O)O)c1cccc(Oc2ccccc2)c1,DB00573
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCCC2)c2ccncc12)C(F)(F)F,bindingdb_650910
+Cc1ccc(NN=C(C#N)C(=N)N2CCCCC2)cc1,bindingdb_999836
+O=c1oc2cc(O)c(Cl)cc2c2ccccc12,bindingdb_953800
+COc1nc2ccc([C@@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCN(CC(F)(F)F)CC1,bindingdb_646115
+CS(=O)(=O)N1CCC(F)(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648666
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@H]1CC(=O)N(CCO)C1,bindingdb_648581
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,bindingdb_511455
+Cc1ccc(OCCSc2nnc(-c3ccncc3)n2C)cc1,CHEMBL1470855
+CSC1=C(c2ccc(O)cc2)C(=O)c2cc(O)cc(O)c21,CHEMBL190038
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC2CCCCC2)cc1,CHEMBL4214487
+C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OS(=O)(=O)O)c1,CHEMBL4083216
+COc1ccc(-c2nc(SCCCCOc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1,CHEMBL1079961
+O=c1[nH]c(-c2ccccc2)cc2onc(-c3ccccc3)c12,CHEMBL246652
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C3COC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648772
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CN2CC(F)C2)c(C(F)(F)F)n1,bindingdb_1130782
+Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL79426
+Cn1cc(S(=O)(=O)N2C[C@H](CN3C(=O)COC3=O)Oc3ccc(NC(=O)OC4C[C@@H]5CC[C@H]4C5)cc32)cn1,bindingdb_651436
+CC1=C2c3ccc4[nH]nnc4c3CC2(Cc2ccc(F)cc2)CCC1=O,CHEMBL214291
+COc1ccc(CN2CCn3nnnc3C2c2ccccc2F)cc1,bindingdb_654234
+O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1,CHEMBL2335811
+Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1C,CHEMBL2312715
+Cc1cc(C(=O)O)ccc1-c1nnc(-c2cc3c(C)ccc(C)c3o2)o1,bindingdb_965516
+CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12,CHEMBL200495
+Cc1ccc([C@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)cc1,CHEMBL256329
+C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[C@@]21C,CHEMBL398841
+Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CHEMBL214295
+CC(C)(O)Cn1ccc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_652589
+N#Cc1cccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4ccccc4c3=O)CC2)c1,CHEMBL1593653
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1,bindingdb_1183418
+O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1,bindingdb_292578
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccnc(C(F)(F)F)c1)C[C@H](CCc1nnn[nH]1)O2)C(F)(F)F,bindingdb_647417
+O=C(O)c1cc(F)c2nc(C3(O)C4COCC3CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_846234
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12,CHEMBL3678155
+O=C(COC(=O)C(O)c1ccccc1)c1ccc2c(c1)OCCO2,bindingdb_961334
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3,CHEMBL336353
+CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12,CHEMBL1911645
+Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C1(CCCCC1)C(=O)N2,CHEMBL408648
+CC(C)c1ccc(-n2cc(C(=O)c3ccccc3[N+](=O)[O-])nn2)cc1,CHEMBL2381371
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@@H](O)[C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)CC[C@@H]23)C[C@H]1O,3vtb
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CC(C)C)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270963
+CC1=CC(C)(C)Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL117585
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2ncn(CCC3CCNCC3)c2c1Cl,bindingdb_18585
+C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1,CHEMBL2022859
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(OCc3ccccc3)nn3c2CCCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646356
+CC(C)CN(Cc1ccc(N2CCN(NS(C)(=O)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317823
+NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12,CHEMBL2316547
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(CS(C)(=O)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651874
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)cnc(C(=O)N3CCC(C4COC4)CC3)c1Cl)n2C,bindingdb_206430
+CCOC(=O)N1CCC(NC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1,bindingdb_584080
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCC(O)(C(F)(F)F)CC1,bindingdb_654056
+CCC(Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1cc(C)on1,CHEMBL1542646
+CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1NCCCCO,CHEMBL4207978
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL250997
+O=c1[nH]c(=O)c(Cc2ccccc2Cl)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204042
+NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)F)cc3)C3CC3)c2F)CC1,bindingdb_988689
+CCCCCCOc1ccc(C(=O)CCN(C)C)c2ccccc12,CHEMBL552185
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@H]3CCCN3C(=O)OCc3ccccc3)cc12,CHEMBL3699384
+Clc1ccc(C2c3nnnn3CCN2Cc2ccccc2)cc1,bindingdb_652314
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC,bindingdb_1183701
+CC(=N)C(C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1,bindingdb_526005
+CC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL415289
+C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2,CHEMBL2311171
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC[C@@H]4CO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263567
+CN1CCN(C2=C(Cl)C(=O)C(c3cnc(N4CCCCC4)s3)=C(Cl)C2=O)CC1,CHEMBL1418568
+CCOc1sc(C2CC2)nc1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651427
+CCCN1CC(Oc2ccc([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)cc2)C1,bindingdb_402936
+CC(=O)N1C[C@@H](CO)[C@H](NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650944
+O=C([C@H]1CC=CCC1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_649890
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(-c4ccsc4)c3)C2)CC1,bindingdb_653342
+CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)c(Cl)c4)oc3C)ccc21,CHEMBL202236
+O=C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1,CHEMBL4202981
+O=P1(O)C=C(c2ccccc2)OC(c2ccccc2)=C1,bindingdb_999713
+COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_401205
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)CC1,bindingdb_646620
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2ccc(OC(F)F)cc2)n3C2CC2)cc1,bindingdb_206290
+O=C(O)c1ccc(-c2nc(C(=O)c3c(F)cccc3Cl)n3c2CCCC3)c(F)c1,CHEMBL3596272
+O=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccccc1,bindingdb_112053
+COc1ccc2c(-n3c(=O)n(Cc4cc([C@@]5(C)OC(=O)NC5=O)ccc4Cl)c4cc(C(F)(F)F)ccc43)noc2c1,CHEMBL1947142
+CCS(=O)(=O)[C@@H](C)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651914
+C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1649689
+Cc1nn(Cc2ncc[nH]2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168428
+O=S(=O)(Oc1ccccc1)C1CC2OC1C(c1ccc(/C=C/c3cc(O)cc(O)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4212982
+CC(O)(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)C(F)(F)F,bindingdb_649795
+Cn1nccc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645077
+C[C@H](C#N)c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_652677
+O=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,CHEMBL391798
+CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,CHEMBL370492
+CCCc1c(OCCCN(C)c2cccc(CC(=O)O)c2)ccc2c(C(F)(F)F)noc12,CHEMBL207442
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(C(C)C)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647042
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1,CHEMBL1395826
+CCCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL389903
+Cc1cccc(OC(=O)C2C(c3ccccc3)C(C(=O)O)C2c2ccccc2)c1,CHEMBL1087460
+COc1ccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,CHEMBL1466894
+Cc1c(O)cc(C)c2c1oc(=O)c1cc(O)ccc12,CHEMBL206227
+CNc1ccc(Cc2ccc([C@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)cc1OC,bindingdb_417747
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)cc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206332
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3nnc(CCS(C)(=O)=O)o3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652568
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(-n2ccnc2)nc1,bindingdb_654028
+O=[N+]([O-])c1ccc(CN(Cc2cccnc2)Cc2cccc(C(F)(F)F)c2)s1,CHEMBL2381207
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL107367
+CCC(C(=O)O)C1CCc2cc(OCCn3ncc4ccccc4c3=O)ccc21,CHEMBL200611
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1ccc(C#N)c(Cl)c1,bindingdb_270874
+CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,bindingdb_830934
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087299
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)C(=N)/C=C\C(=N)CC#N,bindingdb_652545
+CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1,CHEMBL559942
+CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL171804
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3cccs3)oc2C)cc1)C(=O)O,CHEMBL1813008
+CC(C)(N)C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647765
+COc1ccccc1-c1nc(C)c(COc2ccc(C(=O)O)cc2)o1,CHEMBL4209627
+C[C@H](COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC2(F)COC2)cc1)NCCCF,bindingdb_401092
+CCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCCO4)C[C@@]21C,bindingdb_168573
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cnc(OCCNCCCF)c2Cl)N1CC(F)(F)CO,bindingdb_400878
+CCCC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL4174812
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1C,CHEMBL491924
+CCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1,CHEMBL1385771
+Cc1ccc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C)c2)C3)nc1,CHEMBL4105376
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263708
+Cc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3765549
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1cccnc1)c1ccccc1,CHEMBL1821832
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SC3)ccc2O1,bindingdb_401705
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCO[C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL219684
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)CF,bindingdb_403468
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3(C)CC3(F)F)c2=O)nc1,bindingdb_647524
+COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4070717
+O=C(NC1CCCC1)n1c(-c2ccccc2)cc2c1CN(S(=O)(=O)c1cccs1)CC2,bindingdb_846306
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6cccc(N)c6)c(O)c5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_17485
+Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C,bindingdb_539874
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2nccs2)c(F)c1,bindingdb_18612
+O=C(O)c1ccc(-n2cc(C(=O)c3c(F)cccc3C(F)(F)F)c3cccc(F)c32)cc1,bindingdb_651798
+N#Cc1ccccc1NC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,bindingdb_846227
+Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,CHEMBL4097121
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263858
+CCn1cc(S(=O)(=O)N2c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O[C@@H](CNC(=O)[C@H]3C[C@H]3F)[C@H]2C)c(OCCO)n1,bindingdb_645470
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc(OC)c4)oc3C)ccc21,CHEMBL199794
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(CCS(C)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_645336
+CCn1c(Cc2ccc3c(c2)OC(F)(F)O3)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_206631
+CC(C)C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4ccc(F)c(C#N)c4)c(C(F)(F)F)c23)CC1,bindingdb_645856
+CC(C)OC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,bindingdb_1026155
+COc1cc(S(=O)(=O)N2C[C@H](C[C@@H](C(N)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_649360
+CCCCCCSc1cc(C)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(C)c1,CHEMBL550760
+CC(Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184331
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnc(NC[C@H](O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647683
+O=C(O)c1cccc2nc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CO4)sc12,bindingdb_1018746
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H](CCC(=O)NS(=O)(=O)C(C)(C)C)O2)C(F)(F)F,bindingdb_649199
+O=c1[nH]nc(Cc2ccccc2F)c2ccccc12,CHEMBL3622575
+C=C(C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(SC)cc3)OC[C@@]21C,CHEMBL551259
+CCC(Cc1cc(C)cc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094476
+COc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1,bindingdb_1026138
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(F)C(F)(F)F)cc4CCC23)CC1,bindingdb_652053
+COc1cc(F)c(NCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402654
+COc1cccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c1O,CHEMBL1210878
+N#Cc1ccc(N2C(=O)N(CCCOc3ccc(-c4ccncc4)c(F)c3)C3(CCCC3)C2=O)cc1Cl,bindingdb_511771
+O=C(O)CCc1ccc(OCCCN(Cc2ccccc2)c2nc3ccccc3s2)cc1,CHEMBL247705
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL395795
+COc1cccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1,CHEMBL3971739
+CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1C(N)=O,CHEMBL3358942
+Cc1ncccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1,CHEMBL4172253
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(N(C)C)cc2)C1=O,CHEMBL3590266
+CC1(C)COCCN1Cc1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_648795
+O=C1NS(=O)(=O)c2cc(C(=O)N3CC[C@](c4ccc(C(OCc5c(F)cccc5F)(C(F)(F)F)C(F)(F)F)cc4)(S(=O)(=O)c4ccc(F)cc4)C3)ccc21,bindingdb_647555
+COc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1,CHEMBL139631
+COC1CN(C(=O)C2CCc3c(C4=CCC(C)(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)F)CC4)c3C2)C1,bindingdb_647054
+CC(C)[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12,CHEMBL3084694
+CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC,CHEMBL1342063
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2ncccc2s1,bindingdb_1130905
+COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)C3c3cccs3)oc12,bindingdb_87226
+CCc1cc(CC(C)(C)C(F)(F)F)cnc1-n1c(CC)nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c1Cl,bindingdb_1182935
+Cc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_652415
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)N4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017589
+CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(C(C)C)nn1Cc1ccc(Cl)cc1Cl,CHEMBL1933844
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(C45CCC(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1018908
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC[C@@H](O)CO)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183223
+O=C(Nc1ccc2ccccc2c1)c1ccc(Br)o1,bindingdb_1000327
+Nc1c(C(=O)NCC(O)(CC2(c3cc(F)ccc3Cl)CCC2)C(F)(F)F)cnn1-c1ccccc1,CHEMBL234988
+NC(=O)[C@@H](NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)c1ccccc1,bindingdb_652076
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cccs2)cc1,CHEMBL2377526
+CCCCCS(=O)(=O)NC(=O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018966
+C#CC[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL203561
+COc1ccc(C(=O)O)cc1-c1noc(C23CCC(COCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1017658
+c1ccc(-c2nc(-c3nccc4ccccc34)oc2-c2ccccc2)cc1,bindingdb_55734
+O=C(O)c1ccc2nc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1017700
+CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183933
+Oc1ccc2c(c1)CCCC(c1ccc(N3CCCC3)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401611
+CCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596627
+N#Cc1ccc(-c2ccc3oc(=O)ccc3c2)n1CC1CCCCC1,CHEMBL3955849
+CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1,bindingdb_30440
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc2[nH]nnc2c1,bindingdb_652707
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5c(c4)CCN5C(C)=O)ccc1c23,CHEMBL3234033
+CCCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,bindingdb_963236
+CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(C(=O)O)cc1,CHEMBL522668
+C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccc(F)cc2)CO1,CHEMBL4078214
+CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O,CHEMBL3588888
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3=O)c2)c1)c1ccccc1,CHEMBL4059755
+Cc1oc(-c2ccccc2)nc1CC#Cc1ccc(CC(C(=O)O)c2cccc(-c3ccccc3)c2)cc1,CHEMBL476897
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(Oc3ccc(C#N)cc3)c(Cl)c2c1,bindingdb_1183276
+O=C(O)c1ccc(O)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018326
+C[C@@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL362428
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC#CCOCc1ccc(O)c(C(N)=O)c1,CHEMBL151601
+COCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270914
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnn(C)c1,bindingdb_654010
+CCS(=O)(=O)c1ccc([C@H](COCC(=O)O)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270579
+O=C(O)C(Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1,CHEMBL574824
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)cc3F)C(C)(C)C2=O)ccc(C#N)c1F,bindingdb_511807
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)s1,CHEMBL193404
+CCOC(=O)c1cnc(N2CCN(c3ccc(-c4ncon4)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143311
+Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccccc1,bindingdb_999909
+COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3ncccc23)cc1,CHEMBL455126
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3ccc(C(=O)O)cc3)ccc2c1,CHEMBL551345
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccc(Cl)cc3)c(F)c2)CC1,CHEMBL3580673
+CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,3osw
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cncc(OCCNCCCF)c2)N1CC(F)(F)F,bindingdb_401532
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3C(F)(F)F)c2)c(Cl)c1,bindingdb_481762
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C,bindingdb_651192
+CN(C)c1ccc(CN2CCn3nnnc3C2c2ccccc2F)cc1,bindingdb_654235
+C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1254991
+O=C(NS(=O)(=O)C1CCCC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017898
+CC(O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965577
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183565
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CSC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_652806
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)cc1O,CHEMBL3314007
+Cc1c(C(O)(c2nccs2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3818438
+CC(C)C(=O)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL1910414
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccco4)c3CC[C@H]12,bindingdb_650039
+CCOC(=O)CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,bindingdb_584226
+O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094379
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCCCN1CCCC1=O,bindingdb_646888
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cncc(-c5cnc6nc(C7CC7)sc6c5)c4)(CC2)CC3)no1,bindingdb_1017754
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCNCC3)cc2C1=O,bindingdb_1127528
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1081730
+COc1ccccc1NC(=O)c1ccc2c(c1)nnn2C,bindingdb_91287
+O=C(O)C(=O)/C(=C\c1ccsc1)c1ccc2ccccc2n1,bindingdb_672495
+Cc1cc(OC(F)(F)F)cc2c1c(Cc1c(Cl)ncc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)cn2C,bindingdb_206672
+CC(C)Oc1ccc(CN2CCn3nnnc3C2C2CCCCC2)cc1,bindingdb_647489
+CCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4211999
+Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/c1cccs1)[C@H](C(=O)O)C2,CHEMBL1962538
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CNC(=O)c2ncc[nH]2)c(F)c1,bindingdb_18639
+CC(=O)Nc1cc(-c2ccc(F)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12,bindingdb_292540
+Cc1cc(-c2cccc3cc[nH]c23)c(/C=C/C#N)c2c1NC(C)(C)[C@H](O)[C@H]2C,CHEMBL1682428
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183600
+Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12,bindingdb_91291
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6ccc(O)cc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834542
+NCCOC(=O)CC1CN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1,bindingdb_647003
+O=C(C1CCNCC1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650127
+Oc1ccc(/C(=N\c2ccc(F)cc2)c2ccc(O)cc2O)cc1,CHEMBL3234634
+CCCCCCCCCCCC/C(=C\CCCC(=O)O)[N+](=O)[O-],CHEMBL569372
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183895
+CCCCCOc1ccccc1C(O)CCCCCCC(=O)O,CHEMBL1206077
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3OC(F)(F)F)c(Cl)c2)cc1,CHEMBL3609415
+CC1(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCOCC1,bindingdb_649538
+CS(=O)(=O)c1cc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)CC3)[C@H](c3ccccc3)C2)ccc1C(N)=O,bindingdb_999883
+O=C(O)c1ccc(C2CC2)cc1N1C(=O)[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018239
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1)C(C)(C)O,bindingdb_1183879
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NCc4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018631
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@H](c5ccc(Sc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_417462
+Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2ccc(Cl)c(Cl)c2)o1,CHEMBL1601179
+Cc1ccccc1-n1c(SCC(=O)C(C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1,bindingdb_830875
+CC(C)S(=O)(=O)Nc1ncc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_650467
+Cc1c(N2C(=O)CC[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1Cl,bindingdb_506287
+CC(C)[C@H]1CN(c2ccc(CCO)c(S(C)(=O)=O)c2)CCN1CC1CCN(CC(F)(F)F)CC1,bindingdb_1130786
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C(F)(F)F)C(C)(C)c3ccccc3)ccc2O1,bindingdb_645652
+Oc1ccc2cc(-c3noc4ccc(O)cc34)ccc2c1,CHEMBL188299
+C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1,bindingdb_1062525
+Cc1cc(Oc2cccc(CNC(=O)c3cc4c(Cl)cccc4[nH]3)c2)ccc1CCC(=O)O,CHEMBL392718
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc(F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018640
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2CC[C@@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183020
+Cc1ccc(S(=O)(=O)N2Cc3ccc([C@]4(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]54C)cc3C2)cc1,CHEMBL1097284
+O=C(Cc1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,CHEMBL3105811
+Brc1ccc(-c2csc(N=NCc3ccco3)n2)cc1,bindingdb_112144
+O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1c1ccccc1,CHEMBL1494360
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3CC4CC[C@@H]3C4)CC1)cn2C,bindingdb_650418
+COC1(C)CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_646019
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C(=C/C)CC)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1962559
+Cc1cc(C(O)(c2ccc(Cl)cc2)c2cncn2C)cc2c(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)nc12,bindingdb_1183391
+O=C1NC(=O)C(=Cc2ccc(Oc3ccccc3)cc2)C(=O)N1,CHEMBL495505
+C[n+]1c2n(c3ccccc31)N=C(c1ccccc1)CS2,bindingdb_539945
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1184047
+Oc1ccc2c(c1)SCC(c1ccc(OC(F)(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401488
+CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])s1)Cc1cccc2ccccc12,CHEMBL2059545
+Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc4c(c3)OCC4)cc21,CHEMBL4174837
+CCCCCCCCCCNCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C,CHEMBL4168979
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC4(CC3)COC4)c1Cl)n2C,bindingdb_648669
+O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@H](C1CCCCC1)n1c(-c2ccc(-n3cccn3)nc2)nc2cc(F)c(F)cc21,bindingdb_846314
+COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1,CHEMBL206578
+CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCN(C(C)c4cnc(C(F)(F)F)nc4)CC2)OC(C)C3)nc1,bindingdb_126499
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccc(F)c23)CC1,bindingdb_647246
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC4(CCOC4)C2)C3)CC1,bindingdb_646307
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](c1n[nH]c(=O)o1)O2)C(F)(F)F,bindingdb_647743
+COC1(C(F)(F)F)CCC(CN2Cc3cc(C(=O)NCC4CCN(S(C)(=O)=O)CC4)ccc3[C@H]2C(C)C)CC1,bindingdb_271259
+CCCCCS(=O)(=O)Nc1ccc(C(=O)CCN(C)C)cc1,CHEMBL555726
+COc1cccc(CN(C)C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)c1,bindingdb_539802
+COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccco3)n2)cc1,CHEMBL1390198
+N#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12,CHEMBL197667
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)F,bindingdb_645076
+CC(NC(=O)c1ccncn1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653193
+CN(C)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3ccccc23)cc1,CHEMBL4165015
+COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC,CHEMBL3799613
+CS(=O)(=O)c1cc(N2CCN(C[C@@H]3CC[C@H](C(F)(F)F)OC3)[C@@H](c3ccc(F)cc3)C2)ccc1CO,bindingdb_1143209
+CC1(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1,CHEMBL98558
+Cc1cccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)c1,bindingdb_999594
+COc1ccc(C(N)CCc2ccc(C)o2)cc1,CHEMBL1624402
+O=C(O)c1cc(-c2nc(C34CCC(OCc5c(-c6ccccc6C(F)(F)F)noc5C5CC5)(CC3)CC4)no2)ccn1,bindingdb_1017821
+CC(C)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cn2)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_402501
+C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2F)CO1,CHEMBL4091401
+CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1,bindingdb_1054317
+Clc1ncn(-c2csc(N3CCOCC3)n2)c1I,CHEMBL3323497
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCC[C@H]1CO,bindingdb_646572
+CS(=O)(=O)NC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017597
+COc1ccccc1C(=O)c1sc(N)cc1-c1ccnc(Cl)c1,CHEMBL4284673
+CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12,CHEMBL514185
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,CHEMBL4204175
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,CHEMBL3581530
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(C)=O)c(C)c1Cl,CHEMBL3640911
+COc1ccc(C(=O)CSc2nnc(C3CCCCC3)n2N)c(OC)c1,CHEMBL1387920
+O=C([C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1Cc2ccncc2C1,bindingdb_650030
+N#Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3F)CCCC2)cc1,CHEMBL212356
+N#Cc1ccc(-c2ccccc2Cl)cc1C(F)(F)F,CHEMBL238365
+C[C@@H]1C[C@@H]([C@@H](O)C(C)(C)O)O[C@H]2C[C@@]3(C)C(=C12)C[C@H](O)[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C,CHEMBL3121589
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc(-c5ccccc5)s4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263613
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNS(=O)(=O)c1ccccc1)O2)C(F)(F)F,bindingdb_650659
+c1ccc(C2=C(c3ccc(OCCN4CCC4)cc3)c3ccccc3OCC2)cc1,CHEMBL513397
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)c(F)c3)cc12,CHEMBL3699374
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C4(CC#N)COC4)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653410
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1O,CHEMBL3598148
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2CCc2cc(-c4cccnc4)ccc23)cc1,bindingdb_647800
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cn(CCS(C)(=O)=O)cn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654565
+O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCc1ccc(C(F)(F)F)cc1,bindingdb_988809
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)cn3)cc21,CHEMBL4176762
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183839
+NC(=O)c1cc(F)c2nc(C(O)C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1017691
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3CC2CCN(CC(F)(F)F)CC2)cc1,bindingdb_1127565
+CN1CCN(CC(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)CC1,bindingdb_988905
+COc1cc2c(cc1C13CC4CC(CC(C4)C1)C3)[C@H]1CC[C@]3(C)C=C(C(=O)O)C[C@H]3[C@@H]1CC2,CHEMBL4225089
+S=C(NCCc1ccccc1)Nc1ncccn1,bindingdb_69063
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271133
+COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F,CHEMBL1911542
+COc1ccc(CN=Nc2nc3ccccc3o2)cc1O,bindingdb_69189
+CCCc1nc2ccccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4286027
+CCCCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3805318
+CCS(=O)(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623127
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1-3,CHEMBL418990
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCC3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1184285
+N#Cc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163822
+Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1,CHEMBL594983
+CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1,bindingdb_953822
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)N3CC[C@@H](CC(=O)O)[C@@H](C)C3)c1Cl)n2C,bindingdb_206698
+CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C[C@H]2CC[C@H](C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206214
+C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,DB05234
+Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4ccc(Cl)cc43)c2)c(C(=O)O)c1,bindingdb_598560
+Cc1ccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1,CHEMBL2312712
+C=C(c1ccc2nc(NC(=O)OC)[nH]c2c1)c1cccs1,bindingdb_658466
+COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C(F)(F)F)cn4c3C)c2Cl)CC1,bindingdb_206289
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(C)(F)CO,bindingdb_401885
+CCn1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cn1,bindingdb_112172
+C[C@@H]1[C@H](CO)Oc2ccc(NC(=O)OCC(C)(C)C)cc2N1S(=O)(=O)c1cccc(C#N)c1,bindingdb_648879
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(NC)cc3)C[C@@]21C,CHEMBL1608
+Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)cn1,CHEMBL4080576
+CC(C)(O)C(O)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651057
+CCCCC1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL114941
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(OC(F)(F)F)c3)c(F)c2)CC1,bindingdb_647978
+Cc1c(C)n(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12,CHEMBL3678137
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC(=O)O)cc3)C[C@@]21C,CHEMBL453382
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(C)c(C#N)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654609
+CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2)c1C,CHEMBL1934437
+COc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1OC,bindingdb_1017434
+Cc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1,bindingdb_539952
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCCOc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O,CHEMBL3355869
+C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccncc1,CHEMBL125363
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC[C@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4163562
+CC(=O)[C@@]12CN(Cc3cccc(Cl)c3)C[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,CHEMBL4203448
+CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(Cc2cccnc2)C[C@@H](CO)O1,bindingdb_672354
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL3355859
+O=C(c1ccccc1Cl)c1scnc1-c1cc(Br)cc(C(F)(F)F)c1,CHEMBL4289114
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1c(C)nn(C)c1C,bindingdb_654493
+C[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138317
+Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(C(=O)O)cc3)c(=O)n([C@@H](C)C3CC3)c2n1,bindingdb_647851
+CC(C)(C)COC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2,bindingdb_649469
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1CC2,CHEMBL1623045
+CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12,bindingdb_1771
+CCc1ccc(-c2nnn(CCC(=O)OC)n2)cc1,bindingdb_584289
+Cc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)cc1,CHEMBL221184
+COc1cc(C=NNC(N)=S)ccc1OCC(=O)Nc1ccc(C)cc1,bindingdb_1767
+Cc1cc(SC/C(=C/C#N)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O,CHEMBL517251
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_652149
+O=C(Cc1ccncc1)N[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652373
+O=C(O)c1ccc(F)c(-c2noc(C34CCC(COCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1018064
+C=CC(=O)OC1CCC(C(C)(C)CC)CC1,bindingdb_481735
+COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCN(C(C)=O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_646141
+CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL249873
+O=C1NC2CN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2c2ccccc21,bindingdb_647376
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3F)cc12,CHEMBL3695883
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCC1,CHEMBL1307479
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)CCC(=O)OC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017804
+N#CCCS(=O)(=O)c1nnnn1-c1ccccc1,CHEMBL1422039
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_648712
+Oc1ccc2c(c1F)OCCC(c1cccc3[nH]ccc13)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402709
+COC(=O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)CC1,bindingdb_652052
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4cc[n+]([O-])cc4)c(C(F)(F)F)c3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511734
+Cc1nc[nH]c1C1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_653538
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1cccc(Cl)c1)c1c(F)cccc1Cl,bindingdb_998102
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,CHEMBL131
+CC(O)C(=O)NCC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646208
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)nc1,bindingdb_270695
+CCC(Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1)C(=O)O,CHEMBL3764209
+C[C@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1,CHEMBL180538
+COc1ccccc1-c1nc(C)c(COc2ccc(CCC(=O)O)cc2)o1,CHEMBL4205247
+O=C(O)CNC(=O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1018811
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccccc4Cl)oc3C)c2)cc1,CHEMBL1091980
+CC(C)OC(=O)N1CCC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651899
+CC(C)c1ccccc1-c1sc2cc(O)ccc2c1N(C)c1ccc(/C=C/C(=O)O)cc1,bindingdb_401094
+CCn1c(C(O)c2ccc(C(F)(F)F)cn2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127568
+N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648951
+COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)(C)C)ccn1,CHEMBL3940521
+CCCCN(Cc1cccc(F)c1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL522159
+O=C(c1ccccc1Cl)c1sccc1-c1cccc(-c2ccccc2)c1,CHEMBL4277389
+O=C(NS(=O)(=O)CC1CCOCC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018083
+CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,bindingdb_584139
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_652152
+COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126851
+Cc1cc(C(N)=O)cc2c1nc(C(=O)c1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_651149
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nccc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_402176
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270510
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2cccnc21,bindingdb_647670
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCN3CCCCC3)C2)cc1,CHEMBL403966
+Oc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3cc(O)ccc3CC2)c(F)c1,bindingdb_403262
+CCn1c(Cc2ccc(C(N)=O)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21,bindingdb_1127616
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)C[C@@]21C,CHEMBL220955
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651944
+O=C(O)c1cc(F)c(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)cc1O,bindingdb_998273
+COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2N)c1,bindingdb_356202
+Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncn1C,bindingdb_1183176
+COc1ccc(-c2nc(Cl)cc(Oc3ccc(OCCN4CCCC4)cc3)n2)cc1,CHEMBL4241067
+C/C=C/[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C,CHEMBL444286
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cccc(C(N)=O)c2)cc1,CHEMBL3086015
+O=C(O)COn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21,bindingdb_91270
+Cc1csc2nc(CNS(=O)(=O)N(C)C)cn12,CHEMBL1586461
+COC(=O)CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1,CHEMBL3263243
+Cc1cccc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1,bindingdb_651189
+O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,CHEMBL1668238
+Cc1cc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)c(C)cc1Cl,CHEMBL390634
+CN(C)c1cccc(C(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)c1,bindingdb_646216
+CC(C)c1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12,CHEMBL238124
+CC(C)CCC(=O)N[C@H](Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1)C(=O)N1CCC(C)CC1,5vb5
+CC(C)CN1CCc2cc(O)ccc2[C@@]1(C)c1ccc(/C=C/C(=O)O)cc1,CHEMBL3774494
+COc1cc([C@@H]2C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(O)cc2)cc(OC)c1OC,CHEMBL3360848
+C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,DB00687
+C=Cc1cccc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_653793
+CC(=O)N1CCN(c2ccc(CN(C3CC3)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317841
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(CO)cc4)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1018228
+CCOC(=O)[N-]c1cn(N2CCOCC2)n[o+]1,bindingdb_401052
+O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1,CHEMBL1320937
+CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCC4)nc4c(C(F)(F)F)cccn34)c2)c1,CHEMBL612005
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CN)O1,bindingdb_417634
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4Cl)ns3)cc12,bindingdb_965504
+CCOC(=O)n1cc(-c2cnc(CNC(=O)C(C)(c3ccccc3)c3ccccc3)o2)c2ccccc21,bindingdb_112076
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CCNC(=O)C1CC1)O2,bindingdb_646511
+CC1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_651885
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3C[C@H]4CCCC[C@H]4C3)cc2)cc1,CHEMBL185231
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(Cl)cccc3Cl)cc12,CHEMBL3695864
+CCN(C)C(=O)c1ccc2c(c1)c(Sc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3923672
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CCCN(C(N)=O)C1,bindingdb_653031
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ncccc1Cl,CHEMBL520276
+CCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168410
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCc1cccc(I)c1,CHEMBL268214
+O=C(COc1ccccc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1,bindingdb_69247
+C=CCn1c(SCC(=O)NC2CCCCC2)nnc1C(C)NC(=O)c1cccs1,CHEMBL1304094
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(-c5cnc(C)o5)cc4C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017570
+Fc1ccc(F)c(CN2CCn3nnnc3C2c2ccccc2F)c1,bindingdb_653922
+Cc1cc(C)nc(SC2=CS(=O)(=O)c3ccccc32)n1,bindingdb_760468
+Cc1cc(OCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O,CHEMBL409215
+Cc1cc(/C=C2\Sc3ccccc3N2C)cc(C)[n+]1CC1CCCO1,bindingdb_539971
+COc1cccc(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1,bindingdb_988773
+COc1nc2ccc([C@@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C,bindingdb_651732
+Cc1cnc(-c2ccc(C(F)(F)F)c(F)c2)n1Cc1ccccc1OCCCCC(C)(C)C(=O)O,bindingdb_1002219
+COc1ccc(CNC(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)cc1,bindingdb_649092
+CCCCc1ccc([C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1,CHEMBL1929243
+Oc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1,CHEMBL434577
+Cc1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3678160
+Cc1cc(CNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL473717
+Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCCc3ccccc3)c(Cl)c12,bindingdb_417430
+CCC(C(=O)O)C1CCc2cc(OCc3cc(-c4ccccc4)on3)ccc21,CHEMBL199526
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)c1,CHEMBL402956
+CC(C)(Oc1ccc(CN(CC(=O)Nc2ccccn2)Cc2ccco2)cc1)C(=O)O,CHEMBL1084548
+CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1,CHEMBL2403356
+COC(=O)c1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL3799245
+Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1,CHEMBL1624511
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCCNCCCF)c2F)N1CC(F)(F)F,bindingdb_403756
+Oc1ccc(-c2cc3cc(O)ccc3o2)cc1,CHEMBL367588
+O=COCc1ccc2c(ccc(=O)n2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1,bindingdb_54879
+CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21,CHEMBL2322447
+Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(C)cc4)oc3C)c2)cc1,CHEMBL1090877
+CN(C)c1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1,CHEMBL3764439
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(C(O)C(F)(F)F)O2)C(F)(F)F,bindingdb_647382
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cncn3CCS(C)(=O)=O)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653944
+COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+](=O)[O-],bindingdb_958519
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nc(C)co1,bindingdb_652965
+CC(C)CN(c1ccc(C(O)(C#CC(C)(C)C)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070357
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1183965
+CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O,CHEMBL424674
+CCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1,CHEMBL138623
+CCCC/C(=C\c1cc(OCc2ccccc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397710
+CCc1cc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C(=O)O,bindingdb_1018174
+CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O,DB06926
+CC(C)CNc1cc(/C=C/c2ccccc2)nc(NCc2ccccc2)n1,CHEMBL493096
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182846
+CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@@]34C=CCO4)[C@H]12,CHEMBL3692354
+O=S(=O)(Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl,CHEMBL2338477
+N#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F,CHEMBL471876
+CCOC(=O)C(C)(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,bindingdb_1005029
+CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1,bindingdb_112092
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cc1,bindingdb_511760
+C=Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12,CHEMBL195290
+COc1cccc2c1-c1ccc3c(c1C(c1cccc(OCSC)c1)O2)C(C)=CC(C)(C)N3,CHEMBL97206
+Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL375760
+C=Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12,CHEMBL198089
+COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,CHEMBL1606174
+C[C@@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CCC1,bindingdb_1183780
+COc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1,CHEMBL1576191
+O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1,CHEMBL3939189
+C[C@]12CN(c3cccc(S(C)(=O)=O)c3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210151
+CCCC[SnH](CCCC)CCCC,DB08601
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,CHEMBL1221
+O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)c2ccccc12,CHEMBL396948
+Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699388
+Oc1ccc(-c2nc3cc(O)c(Br)cc3o2)cc1F,CHEMBL363705
+CCc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)C(=N)O2,bindingdb_961202
+Cc1c(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)ccc([N+](=O)[O-])c1C,CHEMBL3084688
+COC(=O)[C@H]1CCOC[C@@H]1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F,bindingdb_647471
+O=C(O)c1cc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc2c(N2CCNCC2)n1,bindingdb_1018877
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SCC3)ccc2O1,bindingdb_403749
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4164157
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnc4[nH]c(=O)[nH]c4c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650753
+Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)O,CHEMBL1643196
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,bindingdb_1131082
+N#Cc1ccc(C2=NOC3CCCCC23)c(C(F)(F)F)c1,CHEMBL2159567
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1182991
+Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)cc1,CHEMBL2059562
+OC(c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F,CHEMBL522039
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC[C@@H](O)C(F)(F)F)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1182880
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1,bindingdb_649761
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C[C@@H]1C)cn2C,bindingdb_645909
+Cc1ccccc1-c1noc(-c2cccc(C(=O)O)c2)n1,CHEMBL3589975
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(N2CCC(F)(C(=O)O)CC2)c2ncccc21,bindingdb_647756
+Cc1cccc(S(=O)(=O)C23CCN(C(=O)[C@]4(C)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)c1,bindingdb_654615
+Nc1nc2ccc(S(=O)(=O)n3c(CCCC(=O)O)cc4cc(Cl)ccc43)cc2s1,CHEMBL4104907
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1Cc1ccccc1,CHEMBL3974043
+Cc1cc2cc(C(=O)N(C)Cc3ccccc3OCCCCCC(=O)O)ccc2o1,bindingdb_1002261
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(Cl)ccn3)cc12,CHEMBL3699408
+COc1cc(O)ccc1-c1ccc2cc(O)ccc2c1,CHEMBL427180
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(C#N)cc1,bindingdb_649339
+Cc1c(-c2ccc3c(cnn3C)c2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_54933
+CCS(=O)(=O)c1ccc([C@@H](NC(C)=O)C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1,6r7j
+CCn1cc(S(=O)(=O)N2C[C@H](CC3(C(N)=O)CC3)Oc3ccc(N(C(=O)[O-])C(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_650480
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H](CO)Cc1c[nH]c2ccccc12,bindingdb_648671
+O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCOCC2)c1Cl,bindingdb_168541
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018193
+Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)cc1C,CHEMBL2316565
+Cc1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018545
+C[C@]1(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC[C@H](C(=O)O)CC1,bindingdb_650024
+C[C@]12CCC(=O)C=C1C[C@@H](CCCCCCCCCC(=O)O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL391648
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1NCc2cc(S(=O)(=O)C3CC3)ccc21,bindingdb_649145
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1,CHEMBL1375487
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182830
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NCc4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017387
+CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1,CHEMBL3235686
+CCc1ccc2nc(NC(=O)c3ccc4c(=O)[nH]c(CN5CCOCC5)nc4c3)sc2c1,bindingdb_403873
+CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1,CHEMBL4239777
+CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)OC(C)(C(=O)O)CC2,CHEMBL324449
+CC(=O)NC1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)S1,bindingdb_112210
+COc1ccc(N2C(=O)c3ccc(O)cc3C2=O)c(OC)c1,CHEMBL234733
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1[N+](=O)[O-],CHEMBL2349053
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC(O)C2)C3)CC1,bindingdb_647671
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O,3wt7
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccccc2)c1N)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,CHEMBL564332
+C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(CCO)n1,bindingdb_475591
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1,DB14541
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)C)cc1,CHEMBL231803
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C)c1,CHEMBL3963321
+CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O,DB01892
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C,bindingdb_647125
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSCCNC(=S)NCCCN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2nccn2C)cn1C,CHEMBL539699
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncc(Cl)cc3F)cc21,CHEMBL4175921
+O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)nc1,CHEMBL3967961
+Brc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1,CHEMBL4091689
+Cc1ccc(C(=O)CC(Nc2ccc(F)c(F)c2)c2cccc(F)c2)cc1,CHEMBL1163585
+O=C(NC[C@@H](O)CO)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647632
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,DB00620
+O=C(c1ccc(=O)[nH]c1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651197
+COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)C34CCC(C(=O)O)(CC3)CC4)C2)cc1F)(C(F)(F)F)C(F)(F)F,bindingdb_648457
+Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,bindingdb_91262
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNS(=O)(=O)C1CC1)O2,bindingdb_649564
+COCCN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168495
+CCCCC(Cc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1)C(=O)O,CHEMBL1819394
+CC1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1cccc(F)c1,CHEMBL4100053
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183992
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccccn4)cc3F)C2=S)ccc(C#N)c1Cl,bindingdb_511800
+CC(C)CN(Cc1ccc(-c2ccccc2NS(C)(=O)=O)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263697
+CCCCCC(=O)Nc1ccc(C(=O)CCN(C)C)cc1,CHEMBL558889
+CC1(C)CC=C(C#Cc2ccccc2)c2ccc(C3=NOC(c4ccc(C(=O)O)cc4)C3)cc21,CHEMBL1783651
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](OCC2CC2)C(=O)O)c2sccc12,CHEMBL484001
+CCO[C@H]1CC[C@H](CN2Cc3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)ccc3[C@H]2C(C)C)CC1,bindingdb_124126
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,CHEMBL518945
+CCCOC(=O)c1ccccc1NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL147770
+CC/C(=C(/CC)c1ccc(OCCO)cc1)c1ccc(OCCO)cc1,CHEMBL3632924
+Cc1nc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)ccc2[nH]1,bindingdb_403196
+O=C(O)C12CCC(C(=O)N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)(CC1)OC2,bindingdb_654937
+COc1cc(C(F)(F)F)ccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_654393
+COCCOCOc1cc(C)c(-c2ccc3cc(C(=O)O)ccc3c2Cl)cc1C12CC3CC(CC(C3)C1)C2,CHEMBL563805
+Cn1c(-c2ccc(-c3ccncc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,CHEMBL522066
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)cc2CC2CCCCC2)c2ccccc12,bindingdb_649037
+CCCCCCOc1ccc(C(=O)CCN2CCCC2)cc1,CHEMBL553652
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3COC)cc1,bindingdb_1127677
+Cc1ccc(C2=CC(C)(C)Oc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)cc1,CHEMBL162345
+C[C@@]1(c2ccccc2)CN(C(=O)N2CCOCC2)C[C@@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654078
+COc1ccccc1/C=C/C(=O)c1cc(I)ccc1O,CHEMBL4286655
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645447
+CCCCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O,CHEMBL216596
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2(C)CC2)cc1C(F)(F)F,bindingdb_1184225
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccccc3OCCN(C)C)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123923
+CC(=O)NC1(c2ccccc2)CCN(c2cc(C)nc(-c3ccccc3)n2)CC1,bindingdb_672365
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1,bindingdb_988708
+Cc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1,bindingdb_650208
+C=CC(C)(C)C(F)(F)COC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(C)=O)O2,bindingdb_648607
+Cc1cccc(CN2CCn3nnnc3C2c2ccccn2)c1,bindingdb_652773
+CN(C)S(=O)(=O)NC(=O)c1ccc2nc(N3C4CC[C@H]3C[C@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_263879
+COc1ccccc1CCNC(=O)c1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)ccc1O,bindingdb_481596
+Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,CHEMBL60796
+CC(C)(COc1ncc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)cc1F)n1cnnn1,bindingdb_475850
+CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL107789
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cncc(Br)c1)C[C@H](CO)O2,bindingdb_645086
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ncc(CS(C)(=O)=O)cn1,bindingdb_654525
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)c1cccs1)O2)C(F)(F)F,bindingdb_651174
+O=c1c2c(O)cc(O)cc2c(Br)cn1-c1ccc(O)cc1,bindingdb_1157690
+Fc1cccc(Cl)c1CN=Nc1ccccn1,bindingdb_999642
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3C3CC3)c3c(Cl)cccc32)cc1O,bindingdb_650379
+CCn1c(SCC(=O)N2CCOCC2)nc2oc3c(Cl)cc(Cl)cc3c(=O)c2c1=O,CHEMBL1588072
+O=C(O)Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c(Cl)c1,CHEMBL222561
+CCN1CCN(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1C,CHEMBL195216
+CCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(Cl)c(C(=O)NC[C@H]2CC[C@H](C)CC2)nn1CC,bindingdb_1183505
+CC(CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)S(=O)(=O)c1ccc(Cl)cc1,bindingdb_652075
+O=C(O)c1cc(OC2COC2)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017775
+Cc1ccc(Oc2ccc(CN(Cc3cc(F)cc(F)c3)c3c(Br)cc(CC(=O)O)cc3Br)cc2)c(C)c1,CHEMBL2087295
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCC(=O)O)cc3)C[C@@]21C,CHEMBL397914
+CC1(C)OC(S)=Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL25037
+Cn1c(NC(=O)CCC2CCCCC2)cc(=O)n(C)c1=O,bindingdb_1000339
+Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(Cc2ccccc2)c1,1q4x
+O=C(O)c1cccc(-c2nc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)no2)c1,bindingdb_1018515
+CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O,CHEMBL393381
+CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL384153
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccc(Cl)cc1,bindingdb_417736
+CC[C@@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1183555
+CCCc1nc2ccccc2n1Cc1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL3977198
+Cn1c(C#N)ccc1-c1ccc(/C(=N\O)C(C)(C)C)cc1,CHEMBL1209298
+O=C([O-])c1cc(-c2ccco2)nc2ccc(Br)cc12,bindingdb_953846
+COC(=O)Oc1c(Br)c(=O)oc2ccccc12,CHEMBL1589718
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCCC2,bindingdb_647832
+CC(=O)NC1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_647720
+O=S(=O)(c1ccc(F)cc1)N1CCOc2cccc(Nc3ccccc3F)c2C1,5aph
+O=C(CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(Br)cc4)C2O3)cc1)NO,CHEMBL3589699
+CC(C)(O)CNC(=O)c1nc(CC2CCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2OC(F)(F)F)s1,bindingdb_645393
+CCCCCc1ccc(C#Cc2cc(Cc3c(C)cc(OCC(=O)O)cc3C)cc(C(C)C)c2O)cc1,CHEMBL109430
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCOCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263689
+CCCCCCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL401116
+CCn1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)CO2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184344
+CCOC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1OC,bindingdb_403313
+CO[C@H]1CCC[C@@H]1n1c(=O)c(NCc2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_647952
+N#Cc1ccc(CC(=O)N2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,bindingdb_649276
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(C[C@@H]2CCc4nc(C)oc4C2)[C@H]3C(C)C)nc1,bindingdb_271188
+COCCn1c(SCCOc2cccc(C)c2)nc2ccccc21,CHEMBL2316564
+OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c(NCc4ccncc4)ncnc32)O1,bindingdb_539870
+Cc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CHEMBL3800363
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2CCCC2)cc1C(F)F,bindingdb_1182819
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL27769
+Cc1ccc(C2CC2)nc1N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@H]1C(C)C,bindingdb_1130728
+CC(O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1208797
+Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)s1,CHEMBL2332602
+COc1cc(C(F)(F)F)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3699369
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(N4CCC4)ccc23)c(F)c1,bindingdb_654972
+Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2)c1C,CHEMBL1320239
+Cc1ccc2c(c1)cc(-c1ccc3c(c1)CC(NS(=O)(=O)c1ccccc1)C3)n2C(=O)OC(C)(C)C,bindingdb_1000323
+CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,bindingdb_584111
+C[C@@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)cc4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL368449
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,CHEMBL3609407
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402772
+CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)O,CHEMBL459721
+CC1(C)C/C(=N\O)c2ccc(-c3cccc(C#N)c3)cc21,CHEMBL565906
+C[C@@H](CO)NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650771
+COc1cc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O,CHEMBL3263750
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(Cc3ccccc3)C2)cc1,CHEMBL256161
+CN(C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1)C1CNC1,bindingdb_645382
+O=C(NC1CCOCC1)[C@H]1C[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652724
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1SC,CHEMBL552105
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)cc1,bindingdb_998379
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC[C@H]3CNC(=O)O3)c(S(C)(=N)=O)c2)cc1,bindingdb_54984
+Cc1cc(-c2nc(OC3CCCC3)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2ccccc2n1,bindingdb_649780
+CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])s1)C(=O)c1cccc2ccccc12,CHEMBL2059548
+Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc43)nc12,bindingdb_69178
+CN(C)CCNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_646005
+O=C(N[C@H]1CC[C@@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccnc1,bindingdb_653348
+COc1ccc(C2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1,CHEMBL322312
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1,CHEMBL3815001
+Oc1ccc(-c2cc(-c3ccc(O)cc3Cl)c(-c3ccc(O)cc3Cl)s2)c(Cl)c1,CHEMBL2332582
+C[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL514646
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(CO)CCC#N)cc1F,bindingdb_652060
+COc1c(F)cc(O)cc1-c1csc(N2CCOCC2)n1,CHEMBL3323500
+Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1,bindingdb_112130
+CCC(=NNC(=O)c1ccoc1C)c1ccc(C)o1,bindingdb_1000191
+CCS(=O)(=O)Nc1ncc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_646816
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3C3CC3)noc2C2CC2)cc1,bindingdb_1018215
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccc(C(F)(F)F)cc1,bindingdb_417755
+C=CCO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OCC)C(=O)O)cc1,CHEMBL562659
+Cc1cc(N)ccc1N1CCCC1,CHEMBL1620786
+CC(C)N1CCN(c2ccc(C3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1,CHEMBL364492
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCCC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827034
+CC/C(=C\c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O,CHEMBL3764848
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)o2)sc(C(C)=O)c1C,bindingdb_961343
+CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccccc3)ccc21,CHEMBL3121751
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CO)Cc2ncc(NC(=O)OCC(C)(C)C)cc21,bindingdb_647951
+NC(=O)Nc1cc(CCc2ccccc2F)ccn1,CHEMBL3643685
+CC(C)c1cnn(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL3357422
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1,CHEMBL2407652
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCC3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182805
+CCc1ccc(C2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]c3cc(C)ccc23)cc1,bindingdb_950134
+CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,bindingdb_69202
+Cc1c(C(=O)O)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1,CHEMBL1934435
+COc1cc(C#N)cc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C(C)C)CC4)cn3C)c2C(F)(F)F)c1,bindingdb_647341
+COc1cnc(NCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401297
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(CC2CCC(C(F)(F)F)CC2)C3(C)C)cc1,bindingdb_1127716
+CCn1c(S)nnc1-c1csc2c1CCCC2,CHEMBL1367791
+O=[N+]([O-])c1cc(-c2ccc(/C=N/c3nc4ccccn4c3-c3ccco3)o2)ccc1Cl,CHEMBL1976046
+CC/C(=C(\c1ccc2[nH]ncc2c1)c1ccc(/C=C/C(=O)O)cc1OC)c1ccccc1,CHEMBL3581645
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC2(O)CCC2)sc1-c1cnc(NC2CCCC2)cc1C(F)F,bindingdb_1183287
+O=C(CC(F)(F)F)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646501
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(OC(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263705
+O=c1cc(C(F)(F)F)c2ccc(NC3CCCCC3)cc2[nH]1,CHEMBL3706887
+COc1ccc(C(=O)Nc2cccc(Oc3cccc(O)c3)c2)cc1,CHEMBL4161383
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2cccc(F)c2)c2ccc(Br)cc2)cc1,CHEMBL3991207
+Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)C)CC(C)(C)N4)cccc12,CHEMBL1762204
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(C(C)(C)O)o1,bindingdb_1143433
+C[C@H](CO)NC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC(C)(C)C)cc2C(F)F)s1,bindingdb_1182999
+COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c1OC,CHEMBL243927
+CC(C)n1nc(NC(=O)[C@H]2C[C@@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598287
+Cc1nn(C2CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168424
+COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,CHEMBL361362
+COc1cc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)ccc1Oc1ccccc1,CHEMBL2037324
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1[C@H](C)c1ccc(C#N)cc1Cl,bindingdb_270883
+CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)CN(CC2CCC(OC)(C(F)(F)F)CC2)[C@H]3C(C)C)CC1,bindingdb_271178
+O=C(O)C1(c2ccc(N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)cc2)CC1,bindingdb_645046
+CCC(CC)(c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1271050
+CCN(CC(=O)NC(C)C)Cc1nc(O)c2cc(Br)cc(Br)c2n1,CHEMBL1511291
+COC(=O)NC1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_654618
+C[C@]12CCC(=O)C=C1C[C@@H](CCCCc1cccc(OCCCCC(=O)O)c1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL235811
+COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1,CHEMBL3695896
+O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccccc1,bindingdb_1026132
+CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1,CHEMBL561475
+c1csc(Cc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)c1,bindingdb_112236
+CN1C(=O)[C@@H](O)C[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648027
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(C(=O)O)c1ccccc1,CHEMBL370407
+COC(C)(C)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_646980
+CC[C@]1(c2ccccc2)CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_647726
+COc1ccc(NC(c2ccc(OC(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1OC,CHEMBL3109597
+CN(Cc1nccn1C)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_649167
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(-c4nnnn4C)cc2)[C@H]3C(C)C)cc1,bindingdb_271004
+NC(=O)CN1CCC(CNc2ncnc(N3CCOC[C@@H]3C3CCC(C(F)(F)F)CC3)c2F)CC1,bindingdb_653589
+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL112570
+COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL3699351
+COc1c(C(=O)Nc2ccc(C(C)C)cc2)cnc2c1cnn2C1CCSCC1,bindingdb_18654
+COc1ccccc1-c1ccc2c(c1)C(CSCCc1ccccc1)=CC(C)(C)N2,CHEMBL382785
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_654453
+CCn1c(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127377
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ccncn4)ccc23)cc1,bindingdb_654833
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_650172
+O=C(O)c1cccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)c1,bindingdb_972722
+CN(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O,bindingdb_958517
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183218
+CCOc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1,CHEMBL3695874
+CCCCCCOc1cc(Cl)c(C(=O)CCN(C)C)cc1Cl,CHEMBL550845
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(OC(F)F)c2)s1,bindingdb_1183057
+O=C(O)c1cc(OC2CCC2)c2cc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017458
+CCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1,bindingdb_417763
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182816
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCNS(=O)(=O)O[Na])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017849
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(O[C@H]3C[C@@H](C(=O)O)C3)c1Cl)n2C,bindingdb_646603
+CC(C)c1cccc(-c2nc(-c3ccnc4ccccc34)nc3c2CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)c1,bindingdb_651139
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccnnc1,bindingdb_653929
+O=C(O)CNC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018451
+O=C(O)[C@H]1CC[C@](O)(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_650558
+Oc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F,CHEMBL3323491
+Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401415
+O=C(O)c1cc(F)c2nc(N3C[C@H]4C[C@@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_109239
+CC(C)(O)c1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1,CHEMBL3262347
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC(=O)N1CCCC1,bindingdb_651419
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccncc3)ccc21,bindingdb_1054359
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ncc(S(C)(=O)=O)s3)nc2C(=O)N2CCC(C)CC2)c(Cl)c1C,bindingdb_654229
+N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,CHEMBL1789941
+CN(C)CCOc1ccc(C2=C(c3cccs3)CCOc3ccccc32)cc1,CHEMBL472469
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(CC2CC[C@H](C(F)(F)F)N(C)C2)[C@H]3C(C)C)cc1,bindingdb_271013
+CC1(C)[C@H]2CC[C@]1(c1cccc(Nc3cnn(C[C@@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650485
+CC(C)(C)OC(=O)NC1Cc2ncc(NC(=O)OCc3ccccc3)cc2N(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_649426
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1,CHEMBL3609389
+CS(=O)(=O)NC1C[C@@H]2CC[C@@H](C1)N2c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL3410854
+Oc1ccc(-c2ccc(-c3ccc(O)cc3)s2)cc1,CHEMBL204010
+CCCc1c(OCCCCN2C(=O)NC(C)(c3ccccc3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12,CHEMBL3403709
+CC(C)CN(NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401652
+CCn1c2c(c3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cc4)ccc31)CCCC2,CHEMBL4211718
+CC[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183388
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3Cl)[C@]1(C)C2,CHEMBL178317
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1nc[nH]n1)O2)C(F)(F)F,bindingdb_645464
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)n3)cc12,CHEMBL3699417
+COc1ccc(-c2csc(-c3ccccc3)n2)c(OC)c1,bindingdb_999711
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC(C)(O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184008
+O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/OCCCc2ccccc2)cc1,CHEMBL3397559
+Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3695906
+Cc1ccc(C(C)C)c2cc(-c3nc(-c4ccc(C(=O)O)cc4)no3)oc12,bindingdb_965493
+CCCCOc1ccc(C2c3nnnn3CCN2Cc2ccccc2F)cc1,bindingdb_652924
+CN1C(=O)[C@@H](F)C[C@H]1C(=O)N1CCC2(S(=O)(=O)c3ccc(Cl)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_654845
+Cc1c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC(F)CC2)cnc(NC2CCCCC2)c1F,bindingdb_1183429
+C[C@H]1CN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C[C@@H]1C,CHEMBL182980
+CN1c2cc3c(cc2[C@H]2CCCC(C)(C)[C@H]21)c(C(F)(F)F)cc(=O)n3C,CHEMBL163142
+C=C1CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]2/C1=C/C=C1C[C@@H](O)C[C@H](O)C1,CHEMBL3593366
+CCOc1cc(OCC23CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)(CC2)CC3)cnc1C(N)=O,bindingdb_1018554
+CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)ccc1F,bindingdb_999924
+CS(=O)(=O)c1cccc(N2CCN(c3nccc(C(F)(F)F)n3)[C@@H](c3ccccc3)C2)c1,bindingdb_108425
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)/C=C/C[C@@H](O)C[C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)CC[C@@H]23)C[C@H]1O,2zmj
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cncnc3OC)cs2)cc1,CHEMBL4166203
+O=C(O)C12CCC(C(=O)N3CC[C@](c4ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c4)(S(=O)(=O)c4ccc(F)cc4)C3)(CC1)CC2,bindingdb_647499
+Cc1csc2nc(CSc3nc4ccccc4o3)cn12,bindingdb_982724
+CCc1nn2cc(-c3ccccc3)nc2s1,bindingdb_45539
+CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647794
+COC(=O)[C@@H]1CC2(CCN1c1ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c1)OCCO2,bindingdb_648399
+CC(=O)c1cccc(OCc2nc3ccc(Oc4cc(C)c(N)c(C)c4)cc3n2C)c1,CHEMBL4299817
+C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,1xap
+CC(C)C(=O)N1C2CCC1CC(O)(c1ccc(F)cc1)C2,bindingdb_112170
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccccn2)c1,CHEMBL2426647
+c1cc(-c2csc(N3CCOCC3)n2)ccn1,CHEMBL3323499
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)cc2)cc1,CHEMBL3609388
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3c(F)cc(OC)cc3F)C[C@@]21C,CHEMBL221491
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182851
+Cc1c(OCCNCCC(F)F)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_402105
+CSCCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830784
+CN(/N=C/c1cccnc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl,CHEMBL3214324
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12,CHEMBL3678149
+C[C@@H](NC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1,CHEMBL509182
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_654409
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc([C@H]4C[C@H](OC=O)C4)o3)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645386
+Oc1ccc2c(c1)CCCC(c1ccc(C3COC3)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401438
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CC(=O)c1cc(O)ccc12,CHEMBL3421887
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccnc(Br)c3)cc12,CHEMBL3699410
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N[C@H](C)C3CCOCC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4228981
+OCCOc1ccc(C2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1087683
+O=C(O)COc1cc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)ccn1,bindingdb_1017729
+COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCc2ccccc2F)cc1,CHEMBL235496
+Cc1cc(-c2nsc(-c3cc4c(C)ccc(C)c4o3)n2)ccc1C(=O)O,bindingdb_965505
+Cn1nc(CC(=O)Nc2ncc(Br)s2)c2ccccc2c1=O,CHEMBL1606318
+O=C(Nc1ccc2ccccc2c1)c1ccccc1O,bindingdb_999913
+COc1ccccc1-c1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1,CHEMBL2037187
+O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1,CHEMBL457278
+CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1ccc(C(=O)O)cc1)c1ccccc1,CHEMBL3695913
+CCOc1c(C(N)=O)c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n12,bindingdb_830988
+Cc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2cccnc2)cc1,CHEMBL1082116
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2C[C@H](O)C2)sc1-c1cnc(N[C@@H](C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1184369
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCNC1,bindingdb_646717
+CN1CCC[C@H]1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,bindingdb_692014
+CCCCN(C)C(=O)CCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL223813
+CCOc1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1,bindingdb_292663
+O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc21,CHEMBL4291932
+O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCc1ccccn1,bindingdb_1686
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N(CC)CC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018675
+CC(C)C(=O)N1CCC(C[C@@H](c2nc3ccccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1,CHEMBL4172988
+Cc1c(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C,CHEMBL1441215
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1cccc(-c2ccccc2)c1,CHEMBL591348
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(C)(O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126853
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(O)CC3)c1Cl)n2C,bindingdb_206420
+CCn1cc(S(=O)(=O)N2C[C@H](CNS(=O)(=O)NC)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)F)n1,bindingdb_649226
+CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL203682
+C/C(=N\O)c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3397560
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(C4COC4)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647351
+CN(C)S(=O)(=O)NC(=O)CN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O,CHEMBL4169919
+CCN(C(=O)c1ncco1)[C@H](C)[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C,bindingdb_654332
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F,CHEMBL236755
+COc1cc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)ccc1F,bindingdb_401510
+COc1ccc(C(C)N=Nc2nccnc2Cl)cc1,bindingdb_55602
+Oc1ccc2cc(-c3nc4cc(O)ccc4o3)ccc2c1,CHEMBL187313
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)N(C)c3ccccc3)c(F)c2)CC1,bindingdb_646493
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(O)c3)[C@@H]1C2,CHEMBL179328
+CCCCCCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL1082475
+CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1,CHEMBL425027
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1cnc2ccccc2n1,CHEMBL2023616
+C/C(=N\OCc1nc(-c2ccccc2)oc1C)c1ccc(OCC(=O)O)c(C)c1,CHEMBL1644305
+CCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL3695847
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CCC21C,CHEMBL1627464
+C[C@@H]1C[C@@H](C)OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL365546
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)NCc2ccc(OC)cc2)c1,CHEMBL4168429
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1(O)CCC1)O2)C(F)(F)F,bindingdb_650056
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc(OC)c2OC)cc1,bindingdb_270566
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ncccn1,bindingdb_653013
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018114
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1C3CCC1CC3)c1ccccc1CC2,CHEMBL3764725
+Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1,CHEMBL3643671
+C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_1074230
+CC(=O)N[C@@H](C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645731
+O=C(CC=Nc1cccc(O)c1)c1ccccc1,bindingdb_1000290
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H]([C@H]1C[C@H]1C(=O)O)O2)C(F)(F)F,bindingdb_645169
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL3666806
+CC1(C)[C@H]2CC[C@]1(CN(CC(F)F)C(=O)c1cnc(O)cn1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648191
+C=Cc1cc(C)cc2c(=O)oc3c(C)c(O)ccc3c12,CHEMBL380838
+Cc1oc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nc1CS(C)(=O)=O,bindingdb_646661
+CC(=O)c1cc(-c2cc3ccc(O)cc3s2)ccc1O,bindingdb_78778
+C[C@@H]1C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1,CHEMBL236045
+CN(C)C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2,CHEMBL255843
+COC(=O)COc1ccc(C2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1085161
+CC(C)Oc1nc(-c2ccnc3ccccc23)nc2c1CC[C@@H]1[C@@H](C)C(=O)C(C#N)=C[C@@]21C,bindingdb_652082
+CCN(Cc1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL214275
+Cc1nc2ccccc2n1Cc1ccc(Br)cc1,bindingdb_539861
+CC(C)C1CCC(C(=O)N2CCN(c3ccc(CCO)c(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)CC1,bindingdb_1143228
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(C)n1,bindingdb_654980
+CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nc(F)c3c1C2,CHEMBL385680
+COc1ccc(NCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_400880
+CC(C)(C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(C)(=O)=O,bindingdb_648467
+O=C(C1CCS(=O)(=O)CC1)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_649020
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)[C@@H](Cc3ccccc3)C2)c1,bindingdb_1004596
+COC(=O)CCCCC1SCC2NC(=O)NC21O,bindingdb_953877
+CCCNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646665
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653635
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(C)C)c2)cc1,CHEMBL3314015
+C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O,CHEMBL245001
+Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)C(=O)O,CHEMBL1630382
+CC(C)c1ccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)cc1,bindingdb_649951
+C[C@H]1CCN(CCOc2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)C1,CHEMBL2024376
+Fc1ccc(C2=NOC3CCCCC23)c(C(F)(F)F)c1,CHEMBL2159573
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1,CHEMBL3605924
+C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12,CHEMBL2105738
+Cc1ccccc1/C=C/c1ccccc1N1C(=O)c2ccccc2C1=O,CHEMBL3623111
+COc1nc2c(F)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183319
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)c1,CHEMBL3398463
+C/C=C\c1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL365016
+CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CHEMBL101
+O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,CHEMBL1564209
+CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(F)c1,CHEMBL3092203
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c4ccccc34)sc2-c2ccc(C(F)(F)F)cc2)cc1,CHEMBL1080032
+CN(C)Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,bindingdb_401426
+CC(C)C(=O)OCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018172
+COc1cc(S(=O)(=O)N2C[C@H]([C@@H]3C[C@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_645096
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1CC#N,CHEMBL3903073
+COc1ccc2c(c1)c(=O)oc1c(C)c(O)ccc12,CHEMBL205009
+C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@]2(O)CC#N,CHEMBL1577415
+CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,CHEMBL1471193
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(C(C)c2c(F)cc(Cl)cc2F)[C@H]3C(C)C)cc1,bindingdb_271014
+O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1,bindingdb_100103
+C=C1C=C(C)CC(C)(C)C1Cc1cc(OC)c(Br)cc1OC(C)=O,CHEMBL54270
+CC(C)[C@H]1c2ncc(C(=O)NCC3(C(=O)O)CCOCC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123881
+CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C=C(C)c1cc(O)ccc12,CHEMBL3421890
+COc1cc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)cc(C(=O)O)n1,bindingdb_1018630
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(N)C(F)(F)F)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_649550
+CC(C)c1cc(Oc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O,bindingdb_965600
+O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)n([C@H](C(=O)NC3CCCCC3)C3CCCCC3)c2c1,3okh
+Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl,bindingdb_112173
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1,bindingdb_475626
+CS(=O)(=O)NC(=O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018383
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183410
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)Cc4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018133
+C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,CHEMBL459
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL148596
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCc4ccc(C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018264
+CC1(C)CCCC(c2ccc(C(C)(C)C)cc2)=C1/C=C/C#Cc1ccc(C(=O)O)cc1,CHEMBL424190
+O=C(O)C[C@H]1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645057
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654837
+CN1CCC12CCN(C(=O)C1CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C1)C2,bindingdb_646845
+COc1c(C(=O)Nc2ccc(CC(=O)O)cc2)cccc1-c1ccccc1,CHEMBL4238285
+COc1ccc(N2C(=O)c3ccccc3C(C)(C)C2=O)cc1,CHEMBL480142
+CC1=C(c2cccc(O)c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21,bindingdb_402621
+CC1(C)NC(=O)N(c2ccc(C#N)c(Cl)c2)C1=O,bindingdb_511821
+O=c1c([N+](=O)[O-])cc(C(F)(F)F)cn1Cc1cccc(Cl)c1,CHEMBL1430364
+O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Br)cc3)cc2o1,CHEMBL4087723
+Cn1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(C(F)F)C3)c2)cc1C1CC1,bindingdb_1018567
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12,bindingdb_1005033
+CC(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1947177
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)no1,bindingdb_1017506
+COc1ccccc1-c1ccc2c(c1)C(CSCc1ccccc1)=CC(C)(C)N2,CHEMBL204571
+O=c1c2ccccc2cnn1-c1ccc(Br)cc1,bindingdb_999984
+C[C@H](Cc1ccc(-c2c(Cl)c(C(=O)NC[C@H]3CC[C@H](S(C)(=O)=O)CC3)nn2C)c(OC(F)F)c1)C(F)(F)F,bindingdb_1183671
+COCC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650865
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407643
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12,CHEMBL3695895
+O=C(O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3C(F)(F)F)c3c(F)cccc32)cc1,bindingdb_206303
+N#Cc1cc(F)cc(-c2ccc3c(c2)C(c2ccco2)(c2ccco2)OCC(=O)N3)c1,CHEMBL487116
+Cc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2,bindingdb_69321
+CCc1ccc(C2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3cc(C)ccc23)cc1,bindingdb_950138
+O=S1(=O)[C@@H](c2ccccc2)CC[C@H](C(F)F)N1Cc1cc(F)c(N2CCC(n3cnnc3)CC2)cc1F,bindingdb_648573
+Cn1c(=O)c(Oc2cc(Cl)cc(Cl)c2)nc2ccccc21,bindingdb_1026212
+CCc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cc(OC)ccc1OC,bindingdb_356310
+COc1cc(N2C(=O)C(C)(C)N(CCCS(N)(=O)=O)C2=S)ccc1C#N,CHEMBL1098174
+Cc1cc(O)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3793855
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2ccc(=O)n(CC(F)(F)F)c2)cc1,bindingdb_123876
+Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)C1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934315
+O=C(N1CCC(c2cccnc2)C1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645130
+O=C(O)c1ccccc1Nc1ccc(Oc2cccnc2)cc1,bindingdb_476037
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(N4CCOCC4)nc3)ccc21,bindingdb_1054297
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCN(Cc2ccccc2)C1,bindingdb_647070
+Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc32)c1,CHEMBL1583911
+Cc1noc(C)c1CSCC(=O)N1CCN(c2ccccc2)CC1,bindingdb_25310
+Cc1noc(C)c1CSCC(=O)N1CCN(c2cccc3ccccc23)CC1,bindingdb_475804
+O=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1,CHEMBL1430316
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2CCO3)cc1,bindingdb_271010
+CC(C)[C@@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cc1,bindingdb_123992
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(O)cc3)c1)CCC2,CHEMBL2312275
+CCc1nc2ccccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4281564
+CN1CC(c2ccc(O)cc2)Cc2ccc(O)cc21,CHEMBL239723
+Cn1ccc2cccc(CNc3cccc(-c4c(Cc5ccccc5)nnc5c(Cl)cccc45)c3)c21,CHEMBL558494
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(C)cc3)n2)c1,CHEMBL1087593
+Cc1cccc(C)c1NC(=O)CCCCCC1NC(=O)NC1C,bindingdb_89239
+CCCCCCCCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL3805025
+CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N)=NC2=O)cc1C,bindingdb_112158
+CCOCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL257396
+CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)O)ccc32)ccc2cc(Cc3ccccc3)ccc12,CHEMBL523334
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1183641
+CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(=O)(=O)C1CC1,bindingdb_646852
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NCC(F)(F)F)c3ccccc23)CC1,bindingdb_650955
+Oc1ccc(-c2nc(Cl)c(-c3ccccc3)c(Oc3ccc(OCCN4CCCC4)cc3)n2)cc1,CHEMBL4248225
+CCCCOC(=O)c1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1Cl,bindingdb_17596
+Cc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1,CHEMBL388462
+COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)c(OC)c1,CHEMBL3678080
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(C)(=O)=O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018719
+CC(C(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)N(C)C,bindingdb_647152
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccns2)c1)c1ccccc1,CHEMBL4205353
+O=C(O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,CHEMBL110563
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCCC4c4cccc(Cl)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018610
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CNc1nc2ccc(-c3cccc(C(=O)O)c3)cc2s1,CHEMBL563241
+CCCc1n[nH]c2c1C(C)(C)CN(C(=O)c1ccncc1)C=C2C(=O)OC(C)C,bindingdb_1017531
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H]([C@@H]1C[C@@H]1C(=O)O)O2)C(F)(F)F,bindingdb_645125
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3C)C[C@@]21C,CHEMBL221426
+CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651828
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N3CC4CC(C3)O4)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182927
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OCCNCCCF)cc(F)c2F)N1CC(F)(F)F,bindingdb_403570
+CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(-c4c(C)noc4C)cc3)[C@@](C)(c3ccc(F)cc3)C2)CC1,bindingdb_652260
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2112871
+CC1=C(C)/C(=C/C(C)=C\C=C\C(C)=C\C(=O)O)CCC1,CHEMBL2111792
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(C4CC4)c3CC[C@H]12,bindingdb_647452
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(OC(C)C)cc2)[C@@H]3C(C)C)nc1,bindingdb_270620
+O=C(O)N1CCN(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_652454
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1,bindingdb_1002066
+O=C1c2ccccc2C(=O)N1CCOc1ccccc1Br,bindingdb_55711
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263587
+Clc1c2ccccc2cc2c(-c3ccccc3)c3ccccc3nc12,CHEMBL4117981
+CC(=O)N1CC(C(=O)N[C@H]2CC[C@@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)CC2)C1,bindingdb_652897
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccco3)ccc12,bindingdb_1005004
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(CCS(C)(=O)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652335
+CCCc1n[nH]c2c1C(C)(C)CN(C(=O)c1ccc(C(F)(F)F)nc1)C=C2C(=O)OC(C)C,bindingdb_1018420
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)C1CC1)O2)C(F)(F)F,bindingdb_648020
+CCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F,CHEMBL3596626
+O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1,bindingdb_89255
+O=S(=O)(c1cccc(F)c1)N1CCSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL4211266
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1nc(C)oc1C,bindingdb_652607
+CCCOc1ccc(C[C@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL1651238
+CC1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)COP(C)(=O)OC1,bindingdb_650245
+CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CSC2CCOC2=O)O1,CHEMBL302366
+CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,CHEMBL7002
+CCNCC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCS(=O)(=O)CC1,bindingdb_651486
+COc1cc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O,CHEMBL1985765
+c1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1,bindingdb_487610
+CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094467
+O=C(CO)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652328
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1nocc1C,bindingdb_652616
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCCN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1cc(F)ccc21,CHEMBL589766
+CC1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(CO)C3)CC1,bindingdb_652921
+C[C@H](CO)NC(=O)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183338
+Cc1cc(F)ccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1,CHEMBL4171548
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCNCC1,bindingdb_646619
+O=C(CC1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_650823
+CS(=O)(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_651458
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C,bindingdb_206392
+COc1ccc(-c2c(Oc3ccc(OCCN(C)C)cc3)c3ccc(OC)cc3oc2=O)cc1,CHEMBL4169469
+CN(C)CCC(c1ccccc1)c1ccccn1,DB01620
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ncc(C(F)(F)F)cc21,bindingdb_647958
+C[C@]1(c2ccc(F)cc2)CN(C(=O)Cc2ccc(C#N)cc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649602
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)[n+]([O-])c1,bindingdb_270991
+Cc1ccc(C(=O)N2CCOCC2)c(C)c1Cc1cc2c(C)cc(C(F)(F)F)cc2n1C,bindingdb_206537
+O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccccc1,bindingdb_112181
+O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1,bindingdb_45532
+O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL379847
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N3CCC[C@@H]3C(N)=O)c2)c1)c1ccccc1,CHEMBL4096557
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(Br)cc1)Oc1ccccc1-3,CHEMBL137902
+Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417495
+CC(=O)Oc1ccc(CCc2ccc3c(c2)NC(=O)CO3)c(C)c1,CHEMBL4078451
+CCOC(Cc1ccc(OCCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O,CHEMBL221529
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654243
+CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CCO2)=C\C(=O)O,CHEMBL35136
+CC1(C)C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL119058
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2cccc(Cl)c2)C3)cc2ccccc21,bindingdb_999679
+Cc1ccc(O)c(-c2cc(-c3ccc(F)cc3)no2)c1,bindingdb_999861
+O=[N+]([O-])c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12,bindingdb_999938
+CCOc1cc(C(=O)O)nc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018086
+CCCCCCCN(C(=O)Nc1ccccc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL398447
+COc1cc2[nH]c(=S)n(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OC,CHEMBL1522446
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](C(C)(C)O)O2,bindingdb_646825
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(-c5ccno5)cc4OC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017619
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(=O)(=O)C4CC4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654046
+CNS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2c(OC)nn3c2CCC3)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647174
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](\[O-])CC,CHEMBL399269
+COc1nc2ccc([C@](O)(c3cc(C)nc(C)c3)c3cnnn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_1184304
+C[C@H](NS(=O)(=O)c1ncc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCC2)c2ccccc12)C(F)(F)F,bindingdb_645493
+C[C@@H](Oc1cc(Cn2c(=O)n(-c3ccc(C(C)(C)C)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O,CHEMBL1946568
+CC(C)OC(=O)C1CN(C(=O)c2ccc(Cl)cc2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL584897
+Cc1cccc2c1/C(=C\c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_648377
+CC(C)(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206441
+CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1cc(F)ccc1F,bindingdb_651715
+O=C(O)c1ccccc1Nc1cccc(OCc2ccccc2)c1,bindingdb_964653
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)c2cc(NC(=O)[C@@H](C)c3ccccc3)cnc2O1,bindingdb_998112
+CCCCc1ccc(NC(=O)Cn2ccc3c(OC(C)C(=O)OCC)cccc3c2=O)cc1,bindingdb_1005035
+CCCCC(C)COC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_107872
+COc1cc(NC(=O)C(C)(O)CC(C)C)cc(Br)n1,bindingdb_1175318
+CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21,CHEMBL3758197
+COC(=O)c1ccc2c(N(Cc3ccc(-c4ccc(OCCO)cc4)cc3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_1017842
+CCc1c(-c2ccccc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1,CHEMBL85561
+C[C@H]1OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1[C@@H](O)C(F)(F)F,bindingdb_29778
+CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL477312
+CC(C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_652898
+CCCCCCc1ccc(CC(Oc2ccc(Cl)cc2)C(=O)O)cc1,CHEMBL470144
+C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,CHEMBL388724
+COc1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(=O)O)c1,bindingdb_1017515
+O=C(/C=C/c1ccccc1)c1cc(Cl)ccc1O,CHEMBL2030817
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNS(C)(=O)=O)O2)C(F)(F)F,bindingdb_652365
+Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1,CHEMBL1668086
+O=C(C1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccccc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651285
+C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(F)c3)C[C@@]12C,CHEMBL401267
+Cc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)c(F)c3OCC2)c(F)c1,bindingdb_403411
+CC(C)CN([C@@H](C)c1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_649506
+O=C1NC(=O)C(=NNc2ccc3c(c2)OCCO3)C(=O)N1,bindingdb_539983
+O=C(Nc1ccccn1)C(=O)Nc1ccccn1,bindingdb_999799
+CCCCC(Sc1ccc(OCCCOc2cccc(C(F)(F)F)c2)cc1)C(=O)O,CHEMBL564017
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CCCC[C@@H]12,CHEMBL4160539
+C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL1023
+Cc1ccc(F)c(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1,CHEMBL1088246
+CS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270913
+CC1=C(c2ccc(O)cc2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2cc(O)ccc21,CHEMBL4175179
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,DB01110
+Cc1ccc(Cn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)cc1,bindingdb_417725
+COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,CHEMBL270575
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C#N)c1)C[C@H](CNS(=O)(=O)C1CC1)O2,bindingdb_650184
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc5c(c4)OCO5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263618
+c1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1,bindingdb_1000223
+CC1=C(C(=O)OCC(F)(F)F)C(c2ccc(OCc3ccccc3)cc2)NC(=O)N1,CHEMBL2385740
+CCOC(=O)c1c2c(n(C)c1COC)C(=O)C(=O)c1ccc(Br)cc1-2,CHEMBL1484547
+Cc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)on1,CHEMBL2407856
+CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5cnn(S(=O)(=O)C6CC6)c5)c4)(CC2)CC3)no1,bindingdb_1017445
+O=C(N[N-][CH+]c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cncc(Br)c1,bindingdb_958563
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)[C@@H]3C[C@@H]3F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645858
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)c2sccc12,5ugm
+CCCCn1c(=O)c2ccccc2c2cc(C(C)C)ccc21,CHEMBL1088839
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O[C@H](C)C(F)(F)C(F)(F)F)ccc2O1,bindingdb_645787
+CC1(C)CCC(C)(C)c2cc3c(cc21)Cc1ccccc1N=C3c1ccc(C(=O)O)cc1,CHEMBL134834
+CCO[C@H](Cc1ccc(OC[C@@H](O)c2cccc(CO)c2)cc1)C(=O)NO,bindingdb_88917
+C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,CHEMBL236699
+Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_401767
+CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1c(F)cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)c1C1CC1,bindingdb_206270
+COc1nc(-c2ccncc2)nc2c1CC[C@@H]1[C@@H](C)C(=O)C=C[C@@]21C,bindingdb_653150
+O=C(OCC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1)c1ccc(O)cc1O,bindingdb_292594
+CC(C)Oc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCOCC3)s2)cc1,bindingdb_55708
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H](C)C(F)(F)F)c2=O)nc1,bindingdb_648997
+COc1cc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)ccn1,bindingdb_1130768
+C[C@](O)(COc1ccc(C#N)cc1F)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238292
+CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1,CHEMBL3335622
+CCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O,CHEMBL491950
+Cc1cc(C2=C(c3ccc(F)cc3)C(=O)NC2C)cc2c1OCC(=O)N2,CHEMBL2419301
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(C)c(OCCO[C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)c(C)c3)C[C@@]21C,CHEMBL374732
+CCSc1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,CHEMBL496495
+CC(C)OC(=O)C1=CN(C(=O)c2cccc(Cl)c2)CC(C)(C)c2cc(C#N)[nH]c21,CHEMBL578757
+Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1,CHEMBL1509933
+CCN(CC)CCOc1ccc(Oc2cc(Cl)nc(-c3ccc(OC)cc3)n2)cc1,CHEMBL4241973
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)C3(O)CCC(C(=O)O)CC3)C2)ccc1F,bindingdb_647529
+C[C@](O)(COc1ccc(C#N)cc1)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238285
+CC(C)c1nc2c(C#N)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,CHEMBL596157
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C(F)(F)C1,bindingdb_988974
+O=C1NC(=O)C(=Cc2ccc(N(CCOCc3ccccc3)CCOCc3ccccc3)cc2)C(=O)N1,CHEMBL3754461
+O=C(O)c1cc(C#CC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc2cn[nH]c12,bindingdb_1017637
+O=C(NS(=O)(=O)C1(O)CCCCC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018231
+CC(C)NC(=O)C1CN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1,bindingdb_647449
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3C)s2)cc1,CHEMBL4171547
+COc1ccc(CCNC(=O)C(C)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)c(OC)c1,bindingdb_540002
+O=C(/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1)c1ccccc1,CHEMBL4225431
+COc1ccc(CN(CC(=O)Nc2ccc(C)cc2C)Cc2ccc(OC(C)(C)C(=O)O)cc2)cc1,CHEMBL1083110
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3CCC3)c2=O)nc1,bindingdb_645307
+Cc1c(N2C(=O)O[C@@H](C)[C@@H]2[C@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,bindingdb_506350
+CN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL271552
+CCC(C)(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1,bindingdb_1183675
+C[C@]12C[C@H](c3ccc(OCCOCCOCCn4cc(CNC5=CC(=O)c6ccccc6C5=O)nn4)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL2036560
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183756
+CC(=O)c1ccc(NC(=O)c2cnn3ccccc23)cc1,bindingdb_55544
+Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1,bindingdb_1000154
+CC(=O)N1CCC(C(=O)NC2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651793
+CCCc1n[nH]c2c1C(C)(C)CN(C(=O)C1CCOCC1)C=C2C(=O)OC(C)C,bindingdb_1017942
+CNC(=O)c1cccc(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc(Cl)c3)cc2)c1,CHEMBL3793995
+O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1,DB12582
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,DB01127
+COC(=O)c1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)no1,bindingdb_1000279
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1cnc(C(F)(F)F)cn1,bindingdb_1143362
+CCC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL600465
+Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C,bindingdb_69298
+CCCCc1cc(NCCC)nc(NCCC)n1,CHEMBL352024
+Cc1nn(C)c2ncc(C(=O)Nc3cccc(Br)c3)c(Cl)c12,bindingdb_168430
+C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccc(C)o2)cc1)CCC(=O)O,bindingdb_1002205
+CC(=O)N1CCN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_645943
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H](O)[C@@H](O)C1,bindingdb_652583
+Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1087545
+COc1cc(O)c2c(c1C(=O)NCc1cc(C(=O)O)cc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL1945217
+CC(C)[C@H]1c2ncc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123883
+CN(C)c1cc(Cl)c(C(=O)N(Cc2cccnc2)c2ccc(O)c(C(C)(C)C)c2)c(Cl)c1,CHEMBL3613439
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184101
+Cc1ccc(OCCN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1,bindingdb_539806
+O=C(O)Cc1ccc(CNc2cccc(-c3c(C(O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,CHEMBL226462
+Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCC3)cc2)c1,CHEMBL327320
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(C(C)(C)S(=O)(=O)C4CC4)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649788
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2,CHEMBL2035878
+N#Cc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4094264
+CCCCc1n[nH]c2c1C(C)(C)CN(C(=O)C1CCOCC1)C=C2C(=O)OC(C)C,bindingdb_1017798
+CNC(=O)N1Cc2cc(S(=O)(=O)NC)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645942
+O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1,CHEMBL3953780
+O=C1[C@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL2096842
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1184236
+O=C(O)c1cc2cc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2c(N2CCOCC2)n1,bindingdb_1018856
+CCCc1n[nH]c2c1C(C)(C)CN(C(=O)N1CCOCC1)C=C2C(=O)OC(C)C,bindingdb_1018226
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)N3CCc4ccccc43)cc2)cc1,CHEMBL4282801
+C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)(F)F,bindingdb_1182905
+O=C(O)[C@H]1CC[C@](O)(C(=O)N2CCC3(S(=O)(=O)c4ccccn4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_651603
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1,CHEMBL2112020
+CCC(Cc1ccc(OC)c(OCCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL120748
+COc1ccc(C[C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1,bindingdb_417675
+O=C(O)/C=C/c1ccc(C2c3ccc(O)cc3CCN2Cc2ccccc2)cc1,CHEMBL3775342
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C3=CCNCC3)cc2)cc1,CHEMBL334096
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(N)=O)cc3)ccc21,CHEMBL1911160
+CCC(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL2203820
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccc(N(C)C)nc4)c(F)c3)C2=S)ccc(C#N)c1Cl,bindingdb_511779
+Oc1ccc2c(c1)SCCC(c1ccc(F)c(OC(F)F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403491
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(Br)cc2)no1,CHEMBL1353643
+O=C(O)/C=C/c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL3427393
+Nc1ccc2c(c1)Cc1cc(N)c(Cl)cc1-2,bindingdb_999652
+CCCCC(Sc1nc(OCCc2ccc(C#N)cc2)cc(OCCc2ccc(C#N)cc2)n1)C(=O)O,CHEMBL1171831
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n([C@@H]3CCOC3)c2=O)nc1,bindingdb_651656
+O=C([C@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCOCC1,bindingdb_646105
+CC(C)(O)CNC(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649540
+Cc1ccccc1CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCN(C(=O)[C@H](C)O)C1,CHEMBL600466
+O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(F)cc2)SC1c1ccccc1OC(F)F,CHEMBL243063
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1CC(C)(C)F,bindingdb_403372
+CCN(Cc1ccc(-c2cnn(CCO)c2)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988784
+COc1cccc2c1/C(=C/c1c(Cl)cccc1Cl)C(=O)N2c1ccc(C(=O)O)c(O)c1,bindingdb_651341
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCC2)c2ccccc12,bindingdb_645199
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1,CHEMBL3695804
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc([C@@H](O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652315
+Cc1cccc2[nH]c(-c3cc4ccccc4n3Cc3ccccc3)nc12,CHEMBL4170073
+CC(C)Oc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672465
+CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2,bindingdb_584180
+COC(=O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)c3cc(Br)ccc32)cc1,bindingdb_80770
+O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,CHEMBL1330656
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(C)(F)C2)c(-c2ccc(C(N)(C(F)(F)F)C(F)(F)F)c(Cl)c2Cl)s1,bindingdb_648068
+O=C(O)c1cc(OC2CC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1018328
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21,CHEMBL199509
+CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,bindingdb_584028
+COc1ccc2c(c1)CCN(C(=O)CC1SC(=O)NC1=O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4205062
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)CCc1ccccc1,CHEMBL186805
+COCc1c(C(=O)OC)nnn1-c1ccccc1,bindingdb_112146
+Cc1c(N2C(=O)C(C)(C)N(CCCOc3ccc(-c4ccncc4)c(C(F)(F)F)c3)C2=S)ccc(C#N)c1C(F)(F)F,bindingdb_511805
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(C(=O)C(F)(F)F)O2)C(F)(F)F,bindingdb_648808
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)c(C(F)(F)F)c1,bindingdb_511752
+COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1,bindingdb_651867
+COCCNC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130851
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)O[C@H](C)C(C)(C)C)ccc2O1,bindingdb_645172
+COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(N)(=O)=O)cn3)c(=O)n(CC3CC3)c2n1,bindingdb_651599
+Cc1ccc(NC(=O)c2oc3ccccc3c2C)nc1,bindingdb_672665
+COc1cc(N[C@H](C)C(F)(F)F)ccc1-c1c(Cl)c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nn1C(C)(C)C,bindingdb_1184083
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL389250
+C[C@]1(c2ccc(F)cc2)CN(c2ncc(C#N)cn2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652167
+CC(=O)NC1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317835
+CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(N=C=O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)C(=O)O,CHEMBL318696
+CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)[C@H](Cc5cccc(F)c5)C[C@H]4[C@@H]3CC[C@@H]12,CHEMBL556229
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncccc3F)cc21,CHEMBL4161905
+CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)CC1,bindingdb_1127709
+CCc1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)ccc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c1F,bindingdb_206391
+CCOc1c(OC)nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl,bindingdb_647655
+COc1ccnc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)c1OC,bindingdb_168433
+Cn1cc(C=Nn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21,bindingdb_760328
+Cc1ccc2nc(N(CCOc3ccc(CCC(=O)O)cc3)Cc3ccccc3)sc2c1,CHEMBL247704
+C/C=C(\C)C(O)(c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F,CHEMBL3817997
+CCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C,CHEMBL2035068
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)N4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019147
+NC(=S)NN=C1c2cc(OCCN3CCOCC3)ccc2-c2ccc(OCCN3CCOCC3)cc21,bindingdb_539992
+NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12,bindingdb_69151
+CCN(CC)C1=CC(=O)OC12CCCCC2,CHEMBL1496618
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12,CHEMBL3695882
+O=C(O)c1cc(OCC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018379
+CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(-c2ccccc2)c1C,CHEMBL1934429
+CC(C)CN1C(c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2ccc3[nH]ncc3c2CC1(C)C,bindingdb_402493
+O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc(O)cc4)C2O3)cc1,CHEMBL3589358
+CCc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1,bindingdb_950128
+Cc1cccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3nncc-3c2O)c1,CHEMBL1338219
+Cc1ccc(N2CCN(C(=O)CCNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)cc1,CHEMBL2348895
+CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C,bindingdb_1026175
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCCCC5=O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263710
+Cc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1,bindingdb_69029
+COc1ccc2sc(C(=O)NCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)cc2c1,CHEMBL438346
+O=C(CCCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,CHEMBL2159605
+Cc1ccccc1C(C)Cc1ccnc(NC(N)=O)c1,CHEMBL3643674
+c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1,bindingdb_760325
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,CHEMBL434063
+Clc1ccccc1Cn1nnc(-c2ccccc2)n1,bindingdb_672404
+Clc1ccc(-c2cn3cc(Cl)ccc3n2)cc1,bindingdb_672385
+Oc1ccc2c(c1)CCCC(c1ccc3oncc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402363
+COc1ccc2c(Oc3ccc(/C=C/C(=O)OC(C)(C)C)cc3)csc2c1,bindingdb_403078
+CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br,bindingdb_1000010
+COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1,CHEMBL2104753
+CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC(C)C)CC[C@]3(C)CC[C@]12C,CHEMBL3892041
+O=C1C2C(O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL374781
+O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl,CHEMBL1163285
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(N)cc1,CHEMBL603966
+CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1,CHEMBL192519
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(Cl)c3)c(F)c2)CC1,CHEMBL3581540
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)ccc1Cl,CHEMBL233241
+COc1ccccc1Oc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1,CHEMBL2037314
+O=C(c1nc2ccccn2c1CN1CCCC(O)C1)N1CCN(C2CCCCC2)CC1,bindingdb_989013
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3C4COCC43)c(S(C)(=N)=O)c2)cc1,bindingdb_206520
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(=O)(=O)CC4CC4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654353
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3c2CCCC3)cc1O,bindingdb_998352
+Fc1cccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1F,CHEMBL2346969
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)Oc2cnccn2)c1,CHEMBL223350
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(OC(F)(F)F)c3)c2)c(Cl)c1,CHEMBL236438
+CS(=O)(=O)N1CC2(CN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)c(C4CC4)c3)C2)C1,bindingdb_206326
+CCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21,bindingdb_168488
+Cn1ccc(CN2CCn3nnnc3C2c2ccc(F)cc2)n1,bindingdb_652019
+CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1,CHEMBL1313635
+C[C@H](NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183915
+CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,CHEMBL3039217
+C[C@@]12[C@@H]3CC[C@@H](C3=O)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O,CHEMBL3935242
+C[C@H](NC(=O)c1nc(C(=O)N2CC(F)(F)C[C@@H]2C)c(-c2cnc(NC3(C)CCC3)cc2C(F)(F)F)s1)C(C)(C)O,bindingdb_1183262
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCCOCC3)c(S(C)(=N)=O)c2)cc1,bindingdb_654128
+CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccccn3)c12,bindingdb_1722
+CCC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1,CHEMBL369725
+Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O,CHEMBL4069245
+COc1cccc2c1/C(=C/c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)c(O)c1,bindingdb_206481
+Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3678132
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C,bindingdb_651783
+CC[C@@H](C[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_650922
+O=C(NC1CC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)c1cn[nH]c1,bindingdb_653713
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB02789
+Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ncc21,CHEMBL4287312
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C,CHEMBL3581688
+CCc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(/C=C/c3cc(OC)cc(OC)c3)cc1)=C2c1ccc(O)cc1,CHEMBL4208076
+CC1(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CCC(=O)N1,bindingdb_646552
+Cn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O,CHEMBL148639
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cccc5ncccc45)nc(-c4ccccc4F)c3C[C@H]12,bindingdb_651408
+Cc1ccc(C)c2sc(NC(=O)C3CC3)nc12,bindingdb_91218
+O=C(O)[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_650517
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1,CHEMBL370648
+O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21,CHEMBL1254751
+O=C(Nc1nccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1,CHEMBL1353908
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c1Cl)n2C,bindingdb_206611
+O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)cc1O,bindingdb_646078
+Cc1nn(C)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12,bindingdb_18637
+CNC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)nc1OC,CHEMBL3263764
+CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1,CHEMBL3763432
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O[C@H](C(C)(C)C)C(F)(F)F)ccc2O1,bindingdb_645270
+CC(NC(=O)[C@@H]1C[C@@H](F)C(=O)N1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652468
+CC(C)ONC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647838
+CCC[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1CCC,CHEMBL193760
+CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1,CHEMBL1564075
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2(F)CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271070
+CCCCCCOc1ccc(C(=O)CCN(C)C)c(Cl)c1Cl,CHEMBL560311
+Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(O)CC3)c1Cl)n2C,bindingdb_206683
+CCC1CS/C(=N\c2ccc(C)cc2)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O,bindingdb_69305
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_651231
+CCOc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,CHEMBL202733
+CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)cn2)CCO1,bindingdb_558644
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1Cl)C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_206366
+COc1cc(CNC(=O)[C@@]2(Cc3ccncc3)OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1,CHEMBL2407871
+O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCCCN1CCOCC1,bindingdb_1710
+CC(=O)Nc1ccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc2c1,CHEMBL3578277
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1C[C@H](O)[C@@H](O)C1,CHEMBL519292
+CCOc1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018620
+CCCCCCOc1ccc2c(c1)OCC(CN(C)C)C2=O,CHEMBL550094
+Oc1ccc(-c2cc(F)c3c(Cl)c(O)ccc3c2)cc1F,CHEMBL191901
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1,CHEMBL3798227
+Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206265
+COc1cc(C)ccc1C1C(C(C)=O)=C(O)C(=O)N1CCc1c[nH]c2ccccc12,bindingdb_950132
+C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)O,CHEMBL567389
+COc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1,bindingdb_1683
+CN(C)CCOc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccc(O)cc2)cc1,CHEMBL220072
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)cn1,CHEMBL386957
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C#N)cc2F)[C@H]3C(C)C)cc1,bindingdb_271088
+CC(C)[C@H]1c2ncc(C(=O)NCc3cnn(C)c3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127534
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCN(C)C)cc2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL604761
+O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(N[C@H]2CC[C@@H](C(=O)O)CC2)c2c(F)cccc21,bindingdb_648018
+Cc1cc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2cc(F)ccc2n1,bindingdb_647973
+CS(=O)(=O)c1ccc(F)c(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)c1,bindingdb_108438
+Cn1c(Cc2c(Cl)cnc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)cc2ccc(OC(F)(F)F)cc21,bindingdb_206686
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(C#N)c2)cc1,CHEMBL3609405
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(N3CCOCC3)ncc2[nH]1)C(F)(F)F,CHEMBL3126938
+CC(C)C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4ccc(F)c(Cl)c4)c(C(F)(F)F)c23)CC1,bindingdb_645884
+[C-]#[N+]c1ccc(-c2nnc([C@H](Nc3ccc([N+]#[C-])c(Cl)c3C=C)[C@H](C)O)o2)cc1,CHEMBL3640896
+Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1,bindingdb_953862
+Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4101673
+CC1(C)CN(Cc2nnc(-c3ccccc3)o2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1946809
+O=C(O)C(Cc1cccc(F)c1)Oc1ccccc1C(F)(F)F,CHEMBL1956369
+O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL271924
+O=C(O)CCc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1,CHEMBL1668248
+CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N,bindingdb_1026148
+CCn1nc(C(=O)NC[C@H]2CC[C@H](CS(N)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183621
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)oc3C)ccc21,CHEMBL380961
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)c(Cl)c3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511802
+CSc1nc(NC2CC2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1171046
+COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,bindingdb_760411
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12,CHEMBL403668
+Cc1cc(O)ccc1N1C(=O)c2ccc(O)cc2C1=O,CHEMBL242818
+Cc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(S(C)(=O)=O)c([N+](=O)[O-])c4)CC3)CC2)cc1,CHEMBL2349051
+O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,CHEMBL462576
+O=S(=O)(c1ccccc1)[C@](F)(c1nnc(C2CC2)o1)[C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1,bindingdb_672559
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3C(F)F)sc3cc(O)ccc23)cc1,CHEMBL4091898
+CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)cnc(C(C)=O)c1O,CHEMBL212993
+CN(C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(C)(=O)=O,bindingdb_651446
+CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL491
+Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1,CHEMBL1492286
+CCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1,CHEMBL3290282
+CN(C)c1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)c1,CHEMBL2441100
+CC(C)=CCc1c([C@H]2CCc3ccc(O)cc3O2)ccc(O)c1O,CHEMBL1084746
+NS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)F)CC3)[C@@H](c3ccccc3)C2)c1,bindingdb_1130951
+CS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCC#N)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649623
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CC1,bindingdb_645529
+CC(C)CN(Cc1ccc(N2CCC3(CC2)COC3)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_648867
+Cc1cc(SCP(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,CHEMBL458784
+COc1cccc2c1-c1ccc3c(c1C(C/C=C/CO)O2)C(C)=CC(C)(C)N3,CHEMBL416831
+Cc1cc(SC(Cc2cc(F)ccc2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035061
+Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3)[se]2)cc1,CHEMBL4286995
+CCCc1c(OCCCN(C)c2ccc(CC(=O)O)cn2)ccc2c(C(F)(F)F)noc12,CHEMBL207188
+Fc1ccc(-c2csc(Nc3ccccn3)n2)cc1,bindingdb_672364
+COC1(C)CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645180
+Cc1cccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1,CHEMBL1088099
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)cc12,CHEMBL3699353
+Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1,CHEMBL4068611
+CN1CC2N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2ccccc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_647179
+CC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL523659
+Cc1ccc(C(C)C)c(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,bindingdb_45522
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,CHEMBL4216372
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cc1,CHEMBL1082114
+COCCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1,CHEMBL4247454
+Cc1ccccc1N1CCN(CCSCc2c(C)noc2C)CC1,bindingdb_475816
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)C2COc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_650222
+O=C(O)/C=C/c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(F)ccc23)cc1,CHEMBL3427413
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC2(C(F)(F)F)CC2)cc1C(F)(F)F,bindingdb_1183434
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C(O)C(F)(F)F)O2)C(F)(F)F,bindingdb_648114
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1,CHEMBL595113
+CC(Nc1ncnc2ccccc12)c1ccccc1,bindingdb_539886
+CN1CCN(C(=O)N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccccc3)C2)CC1,bindingdb_654499
+CCOC(=O)C1CCN(C(=O)OCC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@H](CC)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)CC1,bindingdb_1018860
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CCCN1S(C)(=O)=O,bindingdb_652367
+Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O,CHEMBL399417
+NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2,CHEMBL1310614
+Cc1cc(OC(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1,bindingdb_403121
+C[C@](O)(CS(=O)(=O)c1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL340870
+CCc1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)ccc1N(CC)CC,CHEMBL3891815
+C[C@@H](O)CNC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649700
+O=C(O)c1cccc(OCc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C(F)(F)F)c1,CHEMBL1209293
+Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)c([N+](=O)[O-])c1,bindingdb_112138
+Cc1nnsc1NC(=O)OCc1ccc(C(C)(C)C)cc1,bindingdb_539918
+COc1ccc2c(c1)CCc1ccc(cc1)Oc1cccc(c1)CCc1ccc-2c(OC)c1,CHEMBL258491
+CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,CHEMBL4204173
+CN(C)S(=O)(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648208
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@H](C(N)=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_649359
+CS(=O)(=O)c1ccc(C#CC(O)(c2ccc(N(CC3CC3)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070464
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)o1,bindingdb_401368
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc([N+](=O)[O-])cc1C3,CHEMBL328506
+CC(C)c1cc(Oc2c(Cl)cc(OCc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O,bindingdb_965604
+CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1,bindingdb_112211
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCN(C)CCCF)c2F)N1C[C@H](C)C(=O)O,bindingdb_402603
+Cc1cc(C(=O)CSc2ncccn2)c(C)n1Cc1ccco1,bindingdb_999892
+Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cccs1,bindingdb_1000229
+Cc1cccc(S(=O)(=O)C23CCN(C(=O)[C@]4(F)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)c1,bindingdb_654584
+COc1ccc2c(c1)c(C)c(CCC(=O)O)n2C(=O)c1ccc(Cl)cc1,CHEMBL2323507
+C=C1CCC[C@@H](C)[C@@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51788
+CCCCC(Oc1ccc(S(=O)(=O)N(CCCC)c2cccc(-c3ccc(Cl)cc3)c2C)c(C)c1C)C(=O)O,CHEMBL1760271
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3(C)CC3)c2=O)nc1,bindingdb_646897
+O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ncc(Cl)cc1Cl,CHEMBL1508765
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(F)cc1,CHEMBL591055
+COc1ccc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C#N)c1,bindingdb_356281
+CCCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL1086516
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cccc(O)n1,bindingdb_650176
+CS(=O)(=O)N1CCc2cc(O)ccc2C1,CHEMBL1766966
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2-c2cccc(Cl)c2)c2ccccc12,bindingdb_653579
+COc1ccc(OC)c(CCNC(=O)Cn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)c1,bindingdb_539801
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL4213191
+CCc1ccc2ccc(F)cc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL4170594
+CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,bindingdb_539794
+CC1=C2c3ccc(O)cc3CC2(C)CCC1=O,CHEMBL425603
+Cc1ccccc1C(=O)ON=C(N)c1ccccc1,bindingdb_999964
+Cc1cc(-c2csc(N)n2)c(C)n1C,CHEMBL1471055
+O=C(c1cccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,CHEMBL3736175
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(C(=O)N(C)C)s1,bindingdb_1130743
+CC(C)N(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4165975
+CCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1,bindingdb_760183
+CCOC(=O)N1C[C@H](C(=O)O)[C@H](c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)C1,CHEMBL3398426
+CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2,CHEMBL1442966
+O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#Cc2cccnc2)c2c1CCCC2,CHEMBL508733
+Cc1ccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc2c1,bindingdb_958499
+CCN(CC)C(=O)c1nc(C(=O)N2C[C@H](O)C[C@H](O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_645706
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640858
+Cc1oc(-c2ccc(Oc3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1,CHEMBL373685
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649617
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N(C)CCNCCCF)cc2F)N1CC1(F)CC1,bindingdb_403093
+CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)c(C#N)c2)CC1,bindingdb_655058
+CCC(=O)O[C@]1(C(=O)SCCCP(=O)(O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,bindingdb_417269
+Cc1nn(Cc2nnc[nH]2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168427
+Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)Oc2cnccn2)c1,CHEMBL374344
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1nnc[nH]1)O2)C(F)(F)F,bindingdb_645518
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(N2CCOCC2)cc1,bindingdb_653271
+Oc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCCN3CCCCCC3)cc2)Oc2cc(F)ccc21,CHEMBL1082528
+Cn1nc(C(=O)Nc2sccc2C(N)=O)ccc1=O,CHEMBL1406789
+Oc1ccc2c(c1)CCCC(c1ccc(C(F)(F)F)nc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401574
+CCC(Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1)C(=O)O,CHEMBL3765690
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CCCCC)cc3)C[C@@]21C,CHEMBL455176
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263806
+CN(Cc1ccccc1OCCC[C@@H]1C[C@H]1C(=O)O)C(=O)c1ccc(-c2ccco2)cc1,CHEMBL4214179
+Cc1cc(-c2ccn(CCNC(=O)c3cc(-c4cccnc4)n[nH]3)n2)ccc1C#N,bindingdb_475620
+CC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,bindingdb_55568
+CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H](c3ccc(F)cc3)C2)c1,bindingdb_1000020
+CC(=O)OC(C)CCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018201
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21,bindingdb_760282
+CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,DB00841
+CC[C@@](C)(Cc1ccc(OCCCOc2cc3oc(=O)cc(C(F)(F)F)c3cc2Cl)cc1)C(=O)O,CHEMBL206759
+CC1(C)[C@H]2CC[C@]1(c1cccc(-n3cnc(CS(=O)(=O)C[C@@H]4CCC(=O)N4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650836
+Cc1ccc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c1,CHEMBL2312131
+COc1cc(C(=O)NS(=O)(=O)c2cccc(Cl)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12,CHEMBL4290919
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C,bindingdb_168560
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(OCCN3CC(C(F)F)C3)cc2F)N1CC(C)(C)F,bindingdb_402492
+Cc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,bindingdb_1000004
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21,CHEMBL454138
+O=S(=O)(Nc1ccc(Br)cc1)c1cccc(Cl)c1,CHEMBL3972388
+CCS(=O)(=O)c1ccc([C@H](C)Nc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n(C3CCC3)c2=O)cc1,bindingdb_651386
+COC(=O)CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1,CHEMBL4065193
+COc1cc(O)c(C(CC(=O)N2CCC(C)CC2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2326701
+O=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL4248276
+Cn1/c(=N/C(=O)c2ccco2)sc2ccccc21,bindingdb_672545
+O=C(O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(Br)cc3Br)cc2)Cc2cc(F)cc(F)c2)c(Br)c1,CHEMBL2087293
+Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,DB08864
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)NCCO)ccc23)cc1,CHEMBL3558127
+CC1=CC(C)(C)Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL132193
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(C3)CS(=O)(=O)C4)nc2CC2CCCCC2)c2ccccc12,bindingdb_647514
+C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC21CCCC1=O,CHEMBL259879
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N4CCOCC4)cc3)C[C@@]21C,CHEMBL4171957
+CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(Br)cc1-3,CHEMBL63870
+Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)ccc1OCC(=O)O,CHEMBL4246394
+O=c1cc(-c2ccccc2)oc2cc(O)ccc12,CHEMBL276915
+Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1,bindingdb_292552
+O=C1ON=C(c2ccccc2F)/C1=C/c1ccc(N2CCCC2)cc1,CHEMBL89437
+Cc1cc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)o1,bindingdb_982761
+CNc1cccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1,CHEMBL417202
+CCOC1=CC(=Cc2c(-c3ccccc3)[nH]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)C=CC1=O,bindingdb_526089
+C[C@@H](NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CC1,bindingdb_645288
+C[C@@H](c1ccccc1)N(C)c1cc(C(F)(F)F)c(C#N)cn1,CHEMBL400098
+[C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccc(N4CCNCC4)cc3)C2=S)cc1C(F)(F)F,bindingdb_476015
+COC(=O)C1Cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2OC1=O,CHEMBL514441
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183163
+CCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21,CHEMBL479739
+CCOC(=O)CN1C(=O)SC(Cc2ccc(OCCBr)cc2)C1=O,CHEMBL2259810
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4cc([N+](=O)[O-])ccc43)C(F)(F)F)cc12,CHEMBL450943
+CC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL501439
+Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4F)C[C@@H]2[S+]3[O-])ccc1O,CHEMBL2031532
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1F,CHEMBL310365
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(c1)ncn2Cc1cccc(C(=O)O)c1,CHEMBL550070
+O=C(c1cc2ccc(F)cc2[nH]1)N(Cc1ccco1)Cc1ccco1,CHEMBL3317457
+CO[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2n1[C@H](C(=O)N[C@H]1CC[C@H](O)CC1)C1CCCCC1,bindingdb_846228
+CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2cc(C)c(C)cc21,bindingdb_539842
+CC(C)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1,bindingdb_1018237
+COc1ccccc1-c1nc(-c2cccc(C)c2)no1,bindingdb_1000204
+CCSCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F,CHEMBL246800
+O=C(c1cccc2ncccc12)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650582
+Nc1nonc1OCCCCOc1nonc1N,bindingdb_672554
+COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)=O,CHEMBL3207314
+Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CO)CC4)c3Cl)nc12,bindingdb_645918
+c1ccc(CSc2ccc(-c3ccccn3)nn2)nc1,bindingdb_999890
+CC(=O)Nc1cc(C)c2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n(C)c2c1,bindingdb_206630
+COC(=O)c1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1,bindingdb_1734
+CCCCC12CCC(=O)C(Br)=C1c1ccc3[nH]nnc3c1C2,CHEMBL214693
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018544
+C[C@H](NC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC3(C)CCC3)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183431
+CCc1c(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206344
+O=CN1Cc2cc(S(=O)(=O)CC3CC3)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_652289
+CN(C)CCN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127359
+COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1,bindingdb_982661
+O=C(c1ccc(Cl)c(Cl)c1)c1scnc1-c1cccc(Cl)c1,CHEMBL4285720
+C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,DB06730
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270505
+CC(Cc1ccccc1)(Oc1ccc(Cl)cc1)C(=O)O,CHEMBL199225
+CC(C)(C)NS(=O)(=O)c1cc(Cl)c(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc1Cl,bindingdb_647534
+C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_401913
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)C(C)(C)O)[C@H]1C,bindingdb_645341
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)O)c(F)c1,bindingdb_1017782
+CCC(=O)N1CC[C@H](N(Cc2ccccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL592532
+Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168557
+CC(O)(c1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)cc1)C(F)(F)F,bindingdb_1130791
+Cc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)c(O)nc2cc1C,CHEMBL1468488
+NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596609
+CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(OC)cc2)c1)C(=O)O,CHEMBL120676
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ncnc5ccccc45)nc(-c4ccc(F)cc4)c3CC[C@H]12,bindingdb_650313
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(CCN(CC)CC)c(I)c1,CHEMBL425557
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccn3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL429618
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2c(F)cc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_646039
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@H]2CNC[C@@H]2F)C3)CC1,bindingdb_647600
+CC(C)c1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)c(F)cc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,bindingdb_206212
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CC2)OCCO3)cc1F,bindingdb_648476
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1,bindingdb_654358
+O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cccc(O)c12,CHEMBL2386395
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL202902
+COc1ccccc1S(=O)(=O)n1c(CCCC(=O)O)cc2cc(C(F)(F)F)ccc21,CHEMBL4089775
+Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cc(F)cc(F)c2)C3)c1,CHEMBL4077976
+CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,CHEMBL496307
+O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3)cc2o1,CHEMBL145403
+O=C(O)Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)cc1,CHEMBL218338
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB01384
+C[C@]1(c2ccc(F)cc2)CN(C(=O)Cc2ccncc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649088
+C[C@]1(c2ccc(F)cc2)CN(C(=O)N2CCC(c3ccncc3)C2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648679
+CC(C)CNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,CHEMBL3208438
+C=C1c2ccccc2C(=O)N(C)c2ccccc21,CHEMBL2171910
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C(=O)C2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361053
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC3(S(=O)(=O)c4ccccn4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC13)C2,bindingdb_654090
+O=C(Nc1ccnc2[nH]ncc12)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645443
+CSc1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)CCC3(C)O2)ccc1C#N,CHEMBL272509
+O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)c(=O)[nH]1,CHEMBL340158
+CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O,bindingdb_1127472
+CC(C)(C)c1ccc(C#Cc2ccc(C(=O)O)cc2)cc1,CHEMBL457775
+CCCCCCCCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL214718
+CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334727
+Fc1ccc(-n2ncc3cc(-c4cccc(C(F)(F)F)c4)ccc32)cc1,CHEMBL1084389
+O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,bindingdb_760296
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nsc(C(F)(F)F)n1,bindingdb_999866
+CCOC(Cc1ccc(OCCN2CC=C(c3cnccn3)CC2)cc1)C(=O)O,CHEMBL491622
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)C4(O)CCS(=O)(=O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_655052
+CC(C)CCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CHEMBL1087588
+CC(=O)Nc1cc2c(-c3ccc(C(=O)O)cc3F)cn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2cn1,bindingdb_653926
+COC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018176
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(OCCO[C@H]5CC[C@@]6(C)[C@@H](C5)C[C@@H](O)[C@@H]5[C@@H]6C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]56)cc4)cc3)C[C@@]21C,CHEMBL384444
+Cc1cnc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)s1,bindingdb_168533
+CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL2398724
+CCc1cc(C(=O)Nc2ncccc2O)sc1C,bindingdb_1000321
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CN)c(C(F)(F)F)n1,bindingdb_125977
+CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1,CHEMBL3422029
+C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(-c2c(F)cccc2F)cc1,bindingdb_651400
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(N4CCC4=O)ccc23)c(F)c1,bindingdb_654542
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1,CHEMBL3581635
+Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OC(=O)OCC(C)C)(C(F)(F)F)CC[C@@]21Cc1ccccc1,bindingdb_417764
+Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1OCC(=O)O,CHEMBL1081424
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CC1,bindingdb_648622
+CCc1ccc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018037
+CSc1ccc(-c2ccc(/C=C3\C=C(CC(=O)O)c4cc(F)ccc43)cc2)cc1,CHEMBL456987
+CC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3)[C@](C)(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_648448
+CC[C@@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@H]3CC[C@H](S(C)(=O)=O)CC3)nn2CC)cn1)C(F)(F)F,bindingdb_1182758
+CCc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,CHEMBL4166499
+CCC(CC(F)(F)F)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2CC)cn1,bindingdb_1183201
+FC(F)(F)c1ccc(Cl)cc1COc1cccc(-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1,CHEMBL560648
+CC(C)CN(Cc1ccc(N2CCC3(CCOC3)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650443
+CN1C[C@H]([C@H](O)C(F)(F)F)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O,bindingdb_506351
+CCC1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL227463
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(C)(C)C)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271045
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@H](C)C(C)(C)C)cc1C(F)F,bindingdb_1184241
+CC1(C)[C@H]2CC[C@]1(c1nc(-n3cnc(CCS(C)(=O)=O)n3)ncc1Br)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650302
+COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC,CHEMBL1608446
+COc1cc(OC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1,bindingdb_401867
+Oc1ccc2nc(-c3ccc(O)c4ccccc34)oc2c1,CHEMBL363017
+O=C(O)c1cc(F)cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018771
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCOCCO[C@H]4CC[C@@]5(C)[C@@H](C4)C[C@@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)cc3)C[C@@]21C,CHEMBL2096708
+O=c1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204043
+CC1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(C2CC2)cc1,CHEMBL4093325
+CCCN(Cc1ccc(CC)cc1)Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1,CHEMBL3109327
+O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1,CHEMBL192548
+CCOc1ccc(C2c3nnnn3CCN2CC2CCCCC2)cc1,bindingdb_649090
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc(Cl)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263769
+O=C(O)c1cc(F)c(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCC4)cc(F)c23)cc1O,bindingdb_653266
+CCc1cc(C(=O)O)nc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1017896
+CC(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c(C(F)F)c1Cl,CHEMBL4128687
+Fc1ccc(CN2CCn3nnnc3C2c2cccc(F)c2)cc1,bindingdb_650997
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C(C)C)cc3)c(F)c2)CC1,bindingdb_650306
+O=S(=O)(c1ccccc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCN(Cc2ccccc2)C1,bindingdb_647464
+Cn1cncc1C(=O)NCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,bindingdb_18589
+Cc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1,CHEMBL3358923
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5cnc(NS(C)(=O)=O)nc5)c4)(CC2)CC3)n1,bindingdb_1018858
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cn(C[C@H](O)CO)cn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652802
+Cc1nn(CCO)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12,bindingdb_168460
+CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC,bindingdb_69059
+CCO/N=C(\C)C(Cc1ccc(OCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O,CHEMBL230409
+O=C(Nc1ccncc1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,bindingdb_846307
+O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,bindingdb_672340
+Cc1cccc(F)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,CHEMBL3949984
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc([C@H]4CCS(=O)(=O)C4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652807
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc2ncccc2c1,bindingdb_511731
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(C)C(=O)O,CHEMBL434945
+O=C(N(CC12CCC(c3noc(C4CC4(F)F)n3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1)C12CC(F)(C1)C2,bindingdb_1018468
+CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CCN)CC3)cc2O1,bindingdb_1127408
+Cc1nc2ccc(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1018461
+CCCCOc1ccc(-c2ccc(C(=O)O)cc2F)cc1CNC(=O)c1ccc(C(F)(F)F)cc1,CHEMBL2413326
+CCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O,bindingdb_672508
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cccc(F)c1C(=O)NC1(CO)CC1,CHEMBL2147567
+CCc1cn(CC(=O)NC)c(CC)c1Oc1ccc(C#N)cc1,CHEMBL1083359
+CC(=O)c1ccc2c(c1)c(-c1ccc(OCCN3CCCCC3)cc1)cc1cc(O)cc(C)c12,CHEMBL34216
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CNC(=O)CO)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_645957
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nnc[nH]1,bindingdb_650979
+Cc1cc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC4(CCCO4)C2)C3)ccc1C(=O)O,bindingdb_646992
+Fc1ccccc1-c1nc(-c2ccc(Br)o2)no1,bindingdb_999774
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCOCC2)c(Cl)c1,CHEMBL550905
+CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,CHEMBL224204
+CC(=O)c1cccc(NC(=O)Cc2cccs2)c1,CHEMBL1572777
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccccn1,CHEMBL2024028
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(Cl)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_650323
+COc1cccc2c1-c1ccc(NCc3ccccc3)cc1C(c1ccccc1)O2,CHEMBL305393
+CCc1ccc(-c2nc(CCOc3ccc4c(c3)CCC4C(CC)C(=O)O)c(C)o2)cc1,CHEMBL199703
+COc1ccc2c(c1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C,CHEMBL4072831
+Cc1nc2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc2n1C,bindingdb_18648
+O=C(NS(=O)(=O)CC1CCOCC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1017955
+O=C(O)C1CCN(C(=O)[C@H]2C[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_653284
+COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1cccc(Br)c1,CHEMBL1414306
+Cn1cnc(/C=C/c2ccc(C3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)c1,CHEMBL4085634
+Cc1c(S(=O)(=O)N2C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cnn1C(F)F,bindingdb_650966
+CCn1c(SCCOc2ccccc2)nc2ccccc21,CHEMBL2316554
+COC(=O)c1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1C,CHEMBL230594
+CC(C)CN(Cc1ccc(N2CCN(C(=O)C3(C)COC3)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650952
+Fc1ccc(-c2csc(N3CCSCC3)n2)cc1,CHEMBL1488607
+Cc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2,CHEMBL1448942
+C=CCS(=O)(=O)NC(=O)CC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1017681
+CC1(C)C(=O)N(c2ccc(C#N)cc2)C(=S)N1CCCS(N)(=O)=O,CHEMBL1098172
+C[C@H]1C[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CCN1C(=O)C1CCCC1,bindingdb_651883
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2,CHEMBL3764750
+Cn1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2c1=O,CHEMBL1453623
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O,CHEMBL3403699
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NCc1ccco1,CHEMBL1507981
+O=C(O)[C@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)C[C@@H]1O,bindingdb_647777
+CCCc1cc(-c2nc(OC(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,CHEMBL436514
+Cc1cccc(C)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCC(C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_650186
+CC(C)Oc1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)cc1,bindingdb_475864
+COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F,CHEMBL3358931
+Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccc1F,CHEMBL4300643
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183715
+CC1CCCCN1CCNC(=O)CC1Oc2ccccc2NC1=O,bindingdb_672384
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4nccs4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018734
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCCc3ccccc3)c1)CCC2,CHEMBL2312267
+CC[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,CHEMBL369545
+O=C(c1nc(C(=O)N2C3CCC2CC3)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c2Cl)s1)N1C[C@H](O)C[C@H](O)C1,bindingdb_645983
+COC(=O)c1ccnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_1130972
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(C(N)=O)c3ccncc3)C[C@H]2O)c1F,bindingdb_988787
+COc1cccc2sc(Nc3nnc(-c4ccc(F)cc4)o3)nc12,CHEMBL1390963
+Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C,CHEMBL1092797
+Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)N(C)[C@H](C)C(N)=O)c3)c2c1,CHEMBL1668090
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(O)(C(F)(F)F)C2)C3)CC1,bindingdb_646103
+CC1(c2cccc(Cl)c2C(=O)n2nc(C3=CCC(C(=O)O)CC3)c3c2COCC3)CC1,bindingdb_652566
+C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(-c2ccccc2)cc1,bindingdb_652261
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(O)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640826
+CN(C)CCOc1ccc(/C(=C(/CCCCl)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL383112
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(CCN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1cc(F)ccc21,CHEMBL611221
+N#Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)c1,CHEMBL4091787
+O=C(O)c1cc(C2CCOC2)c2nc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1019088
+CCCCCCOc1ccc(C(=O)CCN2CCN(c3ccccc3)CC2)cc1,CHEMBL563368
+Cc1ncc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_400964
+CC1(NC(=O)OC(C)(C)C)CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_646728
+Cc1cccc(Nc2[nH]nc(C)c2[N+](=O)[O-])c1,bindingdb_999788
+CCc1sc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)nc1-c1cc(Cl)ccc1Cl,CHEMBL3605078
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3OC(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_653424
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC2CO2)c(C)c1,CHEMBL2334340
+Cc1ccc(/C=N/NC(=O)c2ccccn2)s1,bindingdb_1000368
+COc1ccc(C2C=C(c3ccc(Br)cc3)Nc3nc(NS(C)(=O)=O)nn32)cc1,CHEMBL1344535
+CCCc1c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cccc1O[C@@H](C)C(=O)O,CHEMBL370074
+Cc1ccc2nc3sc(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)c(N)c3cc2c1,CHEMBL1546921
+CC1=CC[C@@]2(CO)COC(c3ccc(O)cc3)[C@@H]1C2,CHEMBL294889
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OCc3ccccc3Cl)ccc2O1,bindingdb_649013
+CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(O)(C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)c1,bindingdb_1004703
+CCn1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Cc3ncc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648558
+COCc1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(C(F)F)C3)c2)cs1,bindingdb_1018628
+CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1,CHEMBL3977491
+Cc1ccccc1-c1ccc2c(n1)Oc1ccccc1[C@@H]2C(C)(C)C(=O)Nc1nncs1,CHEMBL1911145
+O=C(O)[C@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)C[C@H]1O,bindingdb_648217
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(C[S@](C)(=N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653585
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CC(C)(C)C2)c(Cl)c1Cl)C(F)(F)F,bindingdb_646908
+c1ccc(/N=N/c2ccc3cccccc2-3)cc1,bindingdb_999900
+NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_401659
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@@H]3C[C@@H]4CC[C@H]3O4)c2=O)nc1,bindingdb_650193
+CCCCCS(=O)(=O)NC(=O)CCc1ccc(OC(C)C)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022744
+Cc1nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@@H]2C(C)C)ncc1S(C)(=O)=O,bindingdb_125928
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@H]12,CHEMBL446626
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC[C@](C)(O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183171
+CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1,CHEMBL1388431
+O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccc(Cl)cc1)c1cc2ccccc2o1,CHEMBL1457535
+O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,CHEMBL309490
+CS(=O)(=O)Nc1ccc(-c2cccc(N(CC34CCC(c5noc(C(F)F)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017713
+Cc1cc2n(n1)C(c1ccc(N(C)C)cc1)Nc1ccccc1-2,bindingdb_982725
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)CC2)cc1,CHEMBL1502446
+Oc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1,CHEMBL2332572
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)s1,CHEMBL548615
+CO[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)c1ncc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1018057
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1,bindingdb_645878
+Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)c([C@@H]1CCN(C(=O)[C@H](C)C3CCCC3)C[C@@H]1C)cn2C,bindingdb_654417
+COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)cn1,CHEMBL201327
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nc2cnccc2s1,bindingdb_1130915
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3C[C@@H]4C(C(=O)O)[C@@H]4C3)c1Cl)n2C,bindingdb_206439
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)CC3CC3)CC1)cn2C,CHEMBL4284588
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]12C,CHEMBL2440887
+CCCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,bindingdb_112093
+Cn1c(N2C3CCC2CC(OC(=O)Cc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)nc2c(F)cc(C(=O)O)cc21,bindingdb_109228
+CCOC(=O)C1=C(c2ncc[nH]2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-],CHEMBL248850
+CCn1c(C(C)CC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1,CHEMBL3775184
+CCNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648550
+Cc1oc(-c2ccc(Br)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL65458
+CCCCC(Sc1ccc(OCCCOc2cccc3c2CCCC3)cc1)C(=O)O,CHEMBL558072
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183648
+Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)O)C(=O)OC2CCCC2)c1,CHEMBL1092236
+CS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2CCC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271108
+Cc1cc(F)cnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1,CHEMBL4176941
+O=C1OC(Nc2ccc3c(c2)OCO3)c2ccccc21,CHEMBL1518540
+CC(C)(C)c1cc(OC(=O)c2ccccc2)ccc1O,CHEMBL3613409
+COc1nccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCC(F)(F)C3)c2)n1,bindingdb_1018844
+C[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)c3c(F)cccc3Cl)cnc2O1,bindingdb_998114
+COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(C)=O)s1,CHEMBL1531555
+C[C@@H]1[C@H](O)C(C)(C)C(=O)N1c1ccc(C#N)c(Cl)c1,CHEMBL4082265
+CC1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1,bindingdb_760196
+Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(c1OCC(=O)O)CCCO2,CHEMBL391479
+O=C(O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1C(F)(F)F,bindingdb_1017840
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccccc3CN3CCN(C)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123942
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc12,CHEMBL372684
+Cc1ccc2nc(-c3ccoc3)c(NCc3ccccc3)n2c1,CHEMBL4075862
+CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,CHEMBL3692352
+COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccccn3)c3ccccc3c2=O)cc1Cl,bindingdb_1026154
+Cc1c(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cnn1C,CHEMBL4098581
+CC(C)Cc1cccc(S(=O)(=O)C2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)c1,bindingdb_654674
+O=C1c2ccccc2C2(CCCC2)C(=O)N1c1ccc(Cl)cc1,CHEMBL516445
+CN(C)S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650981
+O=C(O)Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)CCCOc2ccc(Cl)cc2Cl)c(Cl)c1,CHEMBL215605
+Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12,CHEMBL3695790
+CN(C)c1ccc(C2c3nnnn3CCN2CC2CCCCC2)cc1,bindingdb_653259
+CN(Cc1ccccc1OCc1cccc(CCC(=O)O)c1)C(=O)c1ccc(-c2ccco2)cc1,bindingdb_1002255
+CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1,CHEMBL2403355
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC(F)(F)F,bindingdb_652418
+Oc1ccc(-c2nc3cc(O)ccc3o2)cc1,CHEMBL187392
+COC(=O)Nc1nc2ccc(C(=O)C3CC3)cc2[nH]1,bindingdb_69295
+N#Cc1ccccc1N=CCC(=O)c1ccc(Cl)cc1,bindingdb_672441
+C[C@](O)(CSc1cccc(NC(=O)CBr)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_116827
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H](N1CCCC1=O)C2)c1c(F)cccc1Cl,bindingdb_998309
+NC(=O)c1cccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)c1,bindingdb_648123
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC[C@@H](O)C[C@@H](O)CC(=O)O)cc3)C[C@@]21C,CHEMBL183540
+CCC/C=C(\CCC)C1=C(c2cccc(OC)c2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL410341
+Cc1c(F)cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168598
+C[C@H](O)C(=O)N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998246
+Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(F)cc1,CHEMBL103650
+O=C(O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1,CHEMBL421459
+CCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1,CHEMBL1323132
+CC(C)(C)c1cccc(OCCOc2ccc3c(c2)OCC3CC(=O)O)c1,CHEMBL4277858
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183135
+CCOc1nn(CC)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)[C@@H]2C[C@@H]2C#N)[C@H]1C,bindingdb_645396
+O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1Cl,CHEMBL3966839
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccccc1F,bindingdb_648265
+O=C(O)Cc1csc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)cc(Cl)c12,CHEMBL234381
+Cc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,bindingdb_760515
+Cc1noc(C)c1S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649855
+CCCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147557
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@@H]2CCC[C@H]2O)C3)CC1,bindingdb_646415
+Cc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1,CHEMBL1928882
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)c(F)c4)no3)cc12,bindingdb_965523
+Nc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1,bindingdb_112227
+Cn1ncc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_168511
+CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@@H](O)[C@@H]12,CHEMBL3326458
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CC=CC1,bindingdb_647578
+CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,bindingdb_430578
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCN4CCOCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018292
+O=C(O)Cc1ccc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1,CHEMBL379145
+Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Cl)C[C@@H]2[S+]3[O-])ccc1O,CHEMBL2031533
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(O)(C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_271167
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc12,CHEMBL3695812
+CC1CN(C(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)C1,bindingdb_652874
+Cc1cc2ncc(-c3cccs3)nc2cc1C,bindingdb_1000016
+COc1ccc(-c2cn3cccc(OCc4ccc(Cl)c(Cl)c4)c3n2)cc1,CHEMBL3962023
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)C(=O)O)n3)nc2CN2CCCC(F)(F)C2)c(C(F)F)c1F)C(F)(F)F,bindingdb_645375
+CC(=O)Nc1cccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc12,CHEMBL3578294
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC(N2CCN(Cc3ccccc3)CC2)C1,bindingdb_653819
+CCn1nc(C(=O)NC[C@H]2CC[C@@H](S(C)(=O)=O)CO2)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1184354
+CS(=O)(=O)c1cccc(-c2ccc(CN(Cc3ccc(F)cc3Cl)S(=O)(=O)c3ccccc3)cc2)c1,CHEMBL1091034
+Cc1ccncc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1,bindingdb_417757
+CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2,CHEMBL1911660
+Oc1ccc2c(c1F)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403940
+COc1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)O)cc2)CCc2ccc(-c3ccccc3)cc2)c(OC)c1,CHEMBL20495
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL134421
+CC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(F)CC2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_651176
+CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OC(C)C)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2024618
+CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1,bindingdb_651219
+CCOC(=O)CS(=O)(=O)c1ccc(O)cc1,bindingdb_112212
+COc1ccc2c(c1)C1CC1(C(=O)N1C3CC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126658
+CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_647656
+CN1CCN(n2/c(=N\C#N)[nH]c3cc(/C=C4\c5ccccc5COc5cc(F)ccc54)ccc32)CC1,CHEMBL4095917
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C,bindingdb_645930
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2ccc(Oc3ccccc3)cc2)c1,CHEMBL246272
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C)[C@H]3Cc2ccccc2)cc1,bindingdb_1127633
+CCCCOc1ccc(NC(=O)NCc2cc(OCC)c(NS(C)(=O)=O)cc2OCC)cc1C(=O)OC,CHEMBL4161546
+Cc1ccsc1C=NNC(=O)c1sccc1C,bindingdb_1000239
+O=C1CCC(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CN1,bindingdb_648754
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(C)cc(C)c3)c(F)c2)CC1,bindingdb_654226
+CCCCCOc1nc2ccccc2cc1C(O)CCCCCC(=O)O,CHEMBL2219571
+Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c(C)c1,bindingdb_1719
+O=S(=O)(c1ccccc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCNC1,bindingdb_647989
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CC(F)(F)C[C@@H]1CO,bindingdb_650774
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1nc(C(F)(F)F)c(C(C)(C)O)o1,bindingdb_1130841
+CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CNc2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961369
+Fc1ccc(/C=C\c2cc(F)cc(F)c2)cc1,CHEMBL178917
+CC[C@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(C(C)O)n[nH]1,bindingdb_475628
+Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(=O)(=O)C(F)(F)F)c2)ccc1Cl,CHEMBL605723
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCC(F)(F)CC3)cc2)cc1,CHEMBL435696
+O=C(O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1,CHEMBL583932
+Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)CCC2,bindingdb_999975
+CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL401315
+CC1(C)OC(S)=Nc2c(Br)cc(-c3ccc(C#N)c(F)c3)cc21,CHEMBL27922
+Cc1ccc(C2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1,bindingdb_950136
+CCOc1ccc(-c2noc(CCC(=O)O)n2)cc1,bindingdb_584008
+COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F,CHEMBL1671971
+COc1cc(CC2C(C)(C)CC(C)=CC23CC3)c(OC(C)=O)cc1Br,CHEMBL50849
+Cc1c(/N=C2\NC[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl,CHEMBL483746
+CCNC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1,CHEMBL461891
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)C[C@@H](CC1(C(=O)O)CC1)O2)C(F)(F)F,bindingdb_645767
+Cc1c(C)n(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678107
+C[C@]1(c2ccc(F)cc2)CN(C(=O)Cc2ccncc2)C[C@H]1c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648180
+Cc1cc(-c2nc(-c3ccc(F)cc3)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)ccn1,bindingdb_652931
+CCc1cccc(S(=O)(=O)N2C[C@H](C)Oc3ncc(NC(=O)c4c(F)cccc4Cl)cc32)c1,bindingdb_998092
+CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,CHEMBL1342736
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)[C@H](F)C1,bindingdb_988656
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCC(C(F)F)N3CC(F)(F)F,CHEMBL256326
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(C3CC3)c2=O)cc1,bindingdb_645572
+CC(C)n1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,bindingdb_112150
+COc1cc(F)ccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F,CHEMBL242842
+CCc1cc(C(Cc2ccc3ccccc3n2)N=O)c(O)cc1O,bindingdb_91251
+CN(Cc1ccc(C(=O)NS(=O)(=O)N(C)C)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F,bindingdb_263737
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)C(F)(F)F)cc1C,bindingdb_1182643
+COC(=O)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_652205
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCCc3ccno3)c(S(C)(=N)=O)c2)cc1,bindingdb_54992
+Cc1cc2c(c(C)c1C(F)(C(F)(F)F)C(F)(F)F)CC[C@H]1N(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC[C@@]21S(=O)(=O)c1ccc(F)cc1,bindingdb_649206
+COc1cc2c(cc1NC(=O)c1cnn3ccc(N4C[C@@H](N)CC(F)(F)C4)nc13)CC(C)(C)O2,bindingdb_1127425
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12,CHEMBL3695894
+CN(C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl)C1CCC1,bindingdb_646211
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3c(F)cc(OC)cc3OC)C[C@@]21C,CHEMBL221646
+Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c3cccs3)cccc21,CHEMBL3793914
+C=C1CCCCC1C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL295475
+Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/c2nnc(C3CC3)o2)cc1,bindingdb_401663
+COC(=O)c1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1,CHEMBL1945216
+CCCN(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1,CHEMBL2348887
+CC(C)[C@H]1c2cc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1,bindingdb_1130747
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(CC2CCN(OC(C)(C)C)CO2)[C@H]3C(C)C)cc1,bindingdb_270793
+O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1,CHEMBL2331770
+O=C(O)C(=O)/C(=C\c1ccccc1)c1ccc2ccccc2n1,bindingdb_672486
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3,CHEMBL413309
+CN1CC2N(C(=O)[C@]3(C)CC[C@@H](C(=O)O)CC3)CCC2(S(=O)(=O)c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc21,bindingdb_649498
+Cc1c(C(F)(F)F)nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C(=O)O)C2)c1Cl,6q7h
+Oc1cccc(-c2ccc3ccc(O)cc3c2)c1,CHEMBL194873
+O=C(O)CCc1ccc(OCCN(Cc2cccs2)c2nc3ccccc3s2)cc1,CHEMBL247703
+CCCCC12CCC(=O)C(C)=C1c1ccc3[nH]nnc3c1C2,CHEMBL377457
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CC1,bindingdb_653323
+C[C@H](Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1)C(N)=O,bindingdb_648176
+CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C,CHEMBL1342667
+C[C@H](CN1CCOCC1)n1/c(=N\C(N)=O)[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc21,CHEMBL4088896
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4cc(Cl)c(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_649124
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccccc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5OCC34)(CC1)CC2,bindingdb_654890
+Cc1cc(C)nc(NC(N)=Nc2cccc(N)c2)n1,bindingdb_972704
+C[C@](O)(CBr)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1,bindingdb_475724
+Cc1ccc(NC(=S)NNC(=O)Nc2ccccc2)cc1,bindingdb_69180
+CC(C)(O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054295
+COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,CHEMBL3338865
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1,CHEMBL3105805
+CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(Cl)c(Cl)c3)nc2C)c1,CHEMBL2397334
+Cn1c(C#N)ccc1-c1ccc2c(c1)CC(=O)N2,CHEMBL270052
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(C)(C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_648339
+COc1ccc(-n2c(=O)c(/C=[NH+]/NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3cccc[c-]3c2=O)cc1OC,bindingdb_112194
+Oc1cccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)c1,bindingdb_1050253
+O=C(c1ccccc1Cl)c1cccnc1-c1cccc(Cl)c1,CHEMBL4287249
+Cc1c(C)n(Cc2ccc(-c3ccc(Cl)c(O[C@H](C)C(=O)O)c3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,bindingdb_598544
+COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2/C=C/c2ccccc2)cc1,CHEMBL1079739
+C[C@](O)(Cn1ccc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475746
+Cc1ccc(-n2c(-c3cccs3)c[n+]3c2CCc2ccccc2-3)cc1C,bindingdb_539867
+O=C(O)c1ccc(CNC(=O)C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)cc1,bindingdb_1017572
+CN1CCC(Cc2cccc(CNC3(c4ccc(F)cc4)CCCC3)c2)CC1,CHEMBL3590573
+C[C@H]1C[C@H](C(=O)O)CC[C@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652148
+CC[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1,CHEMBL3695910
+CCc1cnc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nc1,bindingdb_1017554
+COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1,bindingdb_112213
+CCCCCCOc1cc(Cl)c(C(=O)CCN(C)C)c(Cl)c1,CHEMBL550758
+CC(C)Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)cc1,CHEMBL4076352
+C#Cc1c(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)nc(CC)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182840
+COc1ccc2c(c1)CCN(C(=O)c1cc(O)no1)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4206093
+Cc1nncn1C1CCN(c2ccc(CN3[C@@H](C)CC[C@@H](c4ccccc4)S3(=O)=O)c(F)c2)CC1,bindingdb_646785
+CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1,bindingdb_108537
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_401155
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1(F)CC1)O2)C(F)(F)F,bindingdb_648787
+COCCOc1cc(C#N)cc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C5CCCC5)CC4)cn3C)c2C)c1,bindingdb_645540
+CCCCCCSc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,CHEMBL551975
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C(C)(C)C1)cn2C,bindingdb_648764
+Cc1nn(Cc2ncco2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168423
+COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1CC(C)C,bindingdb_654572
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2cccc(F)c2Cl)n1,CHEMBL3953927
+CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1,6md4
+O=C(c1ccc(F)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1)N1CCCC1,CHEMBL3793170
+CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1cc2cnn(-c3ccc(=O)n(C)c3)c2cc1Cl)c1ccccc1,bindingdb_417788
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccc(F)cc4F)c3CC[C@H]12,bindingdb_653014
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(I)c(F)c2)CCN(Cc2ccccc2)C1,bindingdb_647490
+CC(C)CNc1nc(CCc2ccccc2)cc(NCc2ccccc2)n1,CHEMBL495337
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNS(=O)(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017643
+N#Cc1c(C(F)(F)F)cc(-c2ccc(Oc3ccccc3)cc2)n(Cc2ccc(F)cc2F)c1=O,CHEMBL3360961
+O=C(O)Cc1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1,CHEMBL1668246
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C)cc2)[C@H]3C(C)C)cc1,bindingdb_270947
+Cc1cc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)C(C)(C)[C@H]2CC3)c2ccccc2n1,bindingdb_652894
+C=C[C@H]1OCc2cc3cc(OC)c(O)cc3c(C#C[C@@H](O)/C=C\CCCCCCC)c21,CHEMBL3358037
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)cc1O,bindingdb_998342
+Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1,CHEMBL592054
+O=C(c1c(Cl)cccc1C1CC1)c1nc(N2CC[C@@H](C(=O)O)[C@H](O)C2)c2ccccn12,bindingdb_998306
+CCCc1cc2c(=O)n(C(C)C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccc(CC(C)C)cc1,CHEMBL365097
+O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)N(CCO)CCO,CHEMBL4065838
+C=CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)NC1=S,CHEMBL1461069
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@H]3CCC[C@@H]3OC)c2=O)nc1,bindingdb_648551
+CC(C)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cn2)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_401387
+C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)CC1=O,DB00858
+CC1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC4(CCCO4)C2)C3)CC1,bindingdb_646964
+CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1,CHEMBL4216886
+Cc1n[o+]n([O-])c1COc1ccc(/C=C2\NC(=S)NC2=O)cc1,bindingdb_292628
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(CO)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017567
+CC(c1ccccc1)n1c(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21,CHEMBL2011376
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc3c(c2)OCO3)c1)C12CC(F)(C1)C2,bindingdb_1018506
+O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1,CHEMBL1608989
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C(C)(C)NC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645808
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5ccccc5c4)ccc1c23,CHEMBL3234031
+COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(C)n3n2)c1,bindingdb_583993
+CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1,CHEMBL3601090
+COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2,bindingdb_672668
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2OCCC3)CC1,bindingdb_652756
+CC(C)(C)NC(=O)N1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_647261
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(F)cc2)C3Cc2cccc(Br)c2)cc1,bindingdb_270829
+CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCCC2,CHEMBL1669776
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O[C@H]3CCCC[C@H]3C(F)(F)F)ccc2O1,bindingdb_649702
+Cn1c(SCC(=O)[C@@]2(O)CC[C@@]3(C)[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL2024020
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)N1CCCCC1)O2)C(F)(F)F,bindingdb_650234
+CC(C)(CC(O)(Cc1cc2cc(C#N)ccc2[nH]1)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2,CHEMBL1911661
+CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1018068
+COc1ccc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)OC4)n2)cc1C(=O)O,bindingdb_1017765
+COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1,bindingdb_760214
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2C[C@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1182866
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14539
+C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL467987
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(F)c1)C[C@H]([C@@H](O)C(F)(F)F)O2)C(F)(F)F,bindingdb_654173
+Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1,CHEMBL1645392
+CC/C=C\[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL369991
+N#Cc1c(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1ccc(Cl)cc1,bindingdb_1026141
+O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1,bindingdb_1000262
+Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1,bindingdb_91223
+COc1ccc(C(=O)Nc2cnc3c(c(C4CCN(C(=O)C(C)C)CC4)cn3C)c2C(F)(F)F)cc1C#N,bindingdb_646091
+CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(N)(=O)=O,CHEMBL3358945
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CC=CC1,bindingdb_653650
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccs1,bindingdb_292656
+O=C1c2ccccc2C(=O)C1c1ccc(O)cc1,bindingdb_112279
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C[C@H](CNS(=O)(=O)C1CC1)O2,bindingdb_649832
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCCC2)c(C(F)F)c1F)C(F)(F)F,bindingdb_649321
+O=C(O)[C@H]1CC[C@H](C(=O)NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_654599
+COc1ccc(C(=O)c2ccccc2)cc1,bindingdb_672633
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCCOCCOCCP(=O)(O)O,bindingdb_417306
+COC1CN(C(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)C1,bindingdb_646139
+Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1,bindingdb_476123
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1CC1,bindingdb_651225
+Cn1ccnc1Cn1ncc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168422
+COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC)cc2)cc1,CHEMBL1080534
+NS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,CHEMBL3609409
+c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)nc1,bindingdb_584132
+CC(C)CN(Cc1ccc(N[C@H]2CC[C@@H](C#N)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647571
+CCC1Oc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2N(CC)C1=O,CHEMBL4225105
+C[C@@H]1Cc2cc(O)ccc2[C@@H](c2ccc(/C=C/C(=O)O)cc2)N1c1ccc(OC(F)(F)F)cc1,CHEMBL3775795
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)c3n[nH]c(=O)o3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648456
+CCCCn1c(=O)c2ccc(C)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL3259999
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018023
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCC3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183021
+COC1CN(c2nc(C(=O)O)cc3ccc(/C=C/C45CCC(OCc6c(-c7c(Cl)cncc7Cl)noc6C6CC6)(CC4)CC5)cc23)C1,bindingdb_1018131
+CC(C)n1nccc1-c1ccnc(NC(N)=O)c1,CHEMBL3643655
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cccnc2)cc1,CHEMBL2377528
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018721
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(CCC(N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649353
+CC1(C)[C@H]2CC[C@]1(c1cncc(-n3cnc(CNS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650192
+COc1c(OC)c(O)c2c(=O)cc(-c3c(O)cccc3O)oc2c1OC,bindingdb_112205
+COc1ccc2c(c1)C=C(C(=O)c1cccc(O)c1O)CO2,CHEMBL4105380
+CC(C)(C)NS(=O)(=O)c1ccc(-c2nc(C(=O)NC3CCS(=O)(=O)CC3)sc2CC2CCCCC2)c2ccccc12,bindingdb_645234
+CCOC(=O)c1cnc(N2CCN(c3ccc(CC(=O)OC)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130826
+O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,DB00252
+CC(C)c1ccccc1N1CCc2cc(O)ccc2C1(C)c1ccc(/C=C/C(=O)O)cc1,CHEMBL4081295
+C[C@@H](O)CNc1ncc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_648119
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206363
+COc1ccc(-c2cc(=O)c3ccccc3s2)cc1,bindingdb_999729
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F,bindingdb_1183860
+CC(=C(c1ccc(N)cc1)c1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1,CHEMBL3984531
+Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1C,CHEMBL1300638
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc12,CHEMBL3699402
+CCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1,CHEMBL3601089
+O=S(=O)(c1ccc(F)cc1)N1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC[C@H]1Cc1nnc(CC(O)CO)o1,bindingdb_645097
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCc2nn(-c3ccncc3)cc2C1,bindingdb_651422
+O=C(c1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL178857
+COc1nc2ccc([C@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1,bindingdb_1183923
+CC(C)CN(Cc1ccc(N2CCC(N(C)C)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654895
+CC(C)OC(Cc1ccc(OCc2noc(-c3cc(F)cc(F)c3)n2)cc1)C(=O)O,CHEMBL309778
+Cc1c(S)[nH]c2ccc(-c3cccc(Cl)c3)cc12,CHEMBL28256
+CCC(=O)Nc1ccc(-c2c[nH]c3ncnc(N[C@H](C)c4ccccc4)c23)cc1,CHEMBL4167749
+O=C1NS(=O)(=O)c2cc(-c3nc(C(=O)c4c(Cl)cccc4C(F)(F)F)n4c3CCCC4)ccc21,bindingdb_998146
+CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL2259814
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3cccnc23)cc1,bindingdb_998344
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)Cc1cnccn1,bindingdb_649659
+CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(=O)(=O)CC)cn3)c(=O)n(C(C)C)c2n1,bindingdb_648392
+CC1(C)CCSc2ccc(C#Cc3cccc(C(=O)O)n3)cc21,CHEMBL4212472
+O=C(O)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1F,bindingdb_1018999
+N=C1c2ccccc2CN1CC(=O)c1ccccc1,bindingdb_999667
+CN1CC(CO)c2cc(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18556
+Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl,CHEMBL229211
+COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3ccccc3o1)CC2,bindingdb_584044
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4ccc(C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019136
+COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,CHEMBL472
+CC(C)c1cc(Oc2c(Cl)cc(NCP(=O)(O)O)cc2Cl)ccc1O,CHEMBL516330
+COCCOc1ccc(CCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1,CHEMBL2024605
+C=CC(=O)Oc1ccc(CCCCCC)cc1,bindingdb_481585
+CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/c1cnc2ccccc2n1,bindingdb_1026185
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCC(C)(C)C)C(=O)CO,CHEMBL526566
+CS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1084360
+COc1cc(NCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_403522
+Cc1cc(C#N)nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_125917
+CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)c1,CHEMBL1394096
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640829
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC2CCC2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183382
+CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccccc3)C2)cc1,CHEMBL247421
+CC1(C)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL529665
+CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(=O)O,CHEMBL558141
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ncc(O)cn1,bindingdb_652120
+O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,bindingdb_112088
+CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc(F)cc2)CCC1=O,CHEMBL385358
+Cc1cccc(C2(C(F)(F)F)CC2)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_646156
+O=C1C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)c2ccccc21,CHEMBL1352351
+O=C(c1ccc2cncn2c1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646882
+CN1C(=O)CC[C@H]1C(=O)N1CC2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C2(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650356
+Cc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)ccc1F,CHEMBL83110
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC[Si](C)(C)C)ccc2O1,bindingdb_649188
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(F)c(F)c3)cc12,CHEMBL3695815
+Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,bindingdb_55703
+CC(OC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1)c1ccc(C(F)(F)F)cc1,bindingdb_1003798
+Brc1ccc(-c2noc(-c3ccccc3)n2)o1,bindingdb_999864
+Cc1ccc(NC(=O)CC(=O)O)c2ccn(Cc3ccc(O)c(C(C)C)c3)c12,CHEMBL3126372
+CN1CCC(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1=O,bindingdb_647551
+Cn1cncc1C(O)(c1ccnc(C(F)(F)F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1,CHEMBL4218386
+Cc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1,CHEMBL249895
+CC(=O)Oc1ccc2c(c1)c1c(n2C)-c2ccccc2SC1,CHEMBL207510
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)N4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018278
+CC1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12,CHEMBL475159
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccc(Cl)cc2)C3)cc2ccccc21,bindingdb_999793
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1,bindingdb_645102
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCC6CN(C(=O)CCC7=[N+]8C(=Cc9c(C)cc(C)n9[B-]8(F)F)C=C7)CCO6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4097687
+CC(C)C1(c2cccs2)OCC(=S)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL488560
+Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2C1CCCC1,CHEMBL271149
+CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(Cl)nc2)c1)c1ccccc1,CHEMBL3678106
+CC1(C)[C@H]2CC[C@]1(c1cncc(-n3cnc([C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647849
+CC(=O)c1noc(C)c1C(=O)Nc1nccs1,bindingdb_91279
+CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3F)sc2c1,bindingdb_999722
+Cn1nccc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(C(F)(F)F)ccn2)C1,CHEMBL4082072
+COC(=O)CN(c1ccc(C(C)(C)O)cc1)S(=O)(=O)c1ccccc1,CHEMBL4251290
+C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O,bindingdb_400894
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(C[C@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653022
+COCCOc1ccc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)C5CCCC5)C[C@@H]4C)cn3C)c2C)cc1C#N,bindingdb_646857
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2c1,bindingdb_54874
+O=C1CCCN1C1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650216
+O=C(O)C(Cc1ccc(F)cc1)Oc1ccc(Cl)cc1,CHEMBL1956350
+COCC(F)(F)CN1[C@H](c2ccc(OCCN3CC(CF)C3)cc2OC)c2ccc3[nH]ncc3c2C[C@H]1C,bindingdb_403434
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182936
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CC(C(F)F)C2)cc1,bindingdb_961216
+CCC(=O)Oc1ccc2c(Oc3ccc(/C=C/C(=O)O)cc3)c(-c3ccccc3C(C)C)sc2c1,bindingdb_403255
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054326
+COc1cc(C2Oc3c(OC)cc(/C=C/CO)cc3C2CO)ccc1O,CHEMBL4163889
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3CO)cc1,bindingdb_1127481
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018880
+O=C(NCCc1ccc(-c2cc3ccccc3n2C(=O)c2ccccc2)cc1)c1ccccc1,CHEMBL234806
+Oc1ccc2c(-c3ccc4c(O)cccc4c3)noc2c1,CHEMBL187219
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H]2CCCCC2(F)F)cc1OC,bindingdb_1183030
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2C(=O)O)C3)cc2ccccc21,bindingdb_999696
+CC[C@@H](O)Cn1cc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_652935
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1F,CHEMBL4172322
+CC[C@@H](C)n1c(=O)c(NCc2ccc3c(c2)CCS3(=O)=O)nc2cnc(-c3c(C)ncnc3C3CC3)nc21,bindingdb_649290
+Cc1cc(-c2nc(-c3cccc(F)c3)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2ccccc2n1,bindingdb_650310
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1ccco1,CHEMBL1367590
+Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,bindingdb_760362
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccccn3)cc2)cc1,CHEMBL4279768
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCc1cccc(I)c1,CHEMBL9390
+CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CHEMBL1341057
+Cc1oc(-c2ccccc2)nc1CNCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1,CHEMBL477690
+CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,CHEMBL16533
+CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc3c(c2)cc(CN2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270763
+COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,CHEMBL1360564
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(c1ccc3[nH]ccc3c1)CC2,bindingdb_403508
+COc1cccc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1,bindingdb_651390
+CCOC(=O)C1=C(C)NC(=O)N(C)C1c1ccc(OCc2ccccc2)c(OC)c1,CHEMBL2385914
+Cc1ccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)s1,CHEMBL572329
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1cccc(F)c1,bindingdb_653629
+Fc1ccc(C2=NOC3CCCCCC23)cc1C(F)(F)F,CHEMBL2159543
+CCCCCCSc1ccc(C(=O)CCN(C)C)cc1,CHEMBL553190
+CC(=O)N1CC(CC(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_647783
+O=P1(N(CCCl)CCCl)NCCCO1,DB00531
+CCCCC1=C2c3ccc4[nH]nnc4c3CC2(CC)CCC1=O,CHEMBL213051
+CCS(=O)(=O)N[C@H]1C[C@H](CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C3CC3)c2=O)C1,bindingdb_650977
+Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1,bindingdb_999604
+COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C(=O)O)c2)c1,bindingdb_745832
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cc2ccccc2s1,bindingdb_417351
+O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1,bindingdb_961237
+COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ncccc21)C(F)(F)F,CHEMBL1254994
+C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(CC)cc2c1=O,CHEMBL1302802
+CC1Cc2ccc(C(=O)O)cc2Oc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc21,bindingdb_1018112
+COc1cc(C(=O)O)ccc1NC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,CHEMBL1668245
+COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1,CHEMBL1304585
+CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1,CHEMBL1463660
+COc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183461
+Cn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183953
+Cc1noc(-c2nc(-c3ccnc4ccccc34)nc3c2CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)n1,bindingdb_649776
+CC1=C(C#N)C(c2cccc3c2-c2ccccc2C3=O)C(C(=O)OC(C)C)=C(C)N1,CHEMBL4099077
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1cccnc1)O2,bindingdb_648529
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]c(=O)sc2c1)c1ccccc1,CHEMBL3581636
+Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2cccnc2)C3)cc1,CHEMBL255570
+COc1nc2ccc([C@@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_651785
+CCc1nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc2n1[C@@H](C)c1cccc2c1OC(F)(F)O2,bindingdb_270513
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(C)C)cc12,CHEMBL3699401
+COCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830782
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(SCC3CCOCC3)cc2)cc1,bindingdb_648730
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ccn(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652798
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OC(C)C)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651035
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3ccccc23)cc1O,bindingdb_652439
+Cc1cc(-c2nc(OC3CCC3)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2ccccc2n1,bindingdb_650044
+O=C(O)C12CCC(C(=O)N3CCCC4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_648179
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCC(F)(F)CC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263696
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)N(C)c3ccc4c(c3)OCCO4)ccc12,bindingdb_1005021
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cnn(C)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018162
+COC(=O)c1ccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C(c3ccccc3)C2)cc1S(C)(=O)=O,bindingdb_58951
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)c1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1183747
+Cn1cc(C2CCN(C(=O)C3CC3)CC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21,bindingdb_648571
+CO[C@H]1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C[C@@H]1O,bindingdb_648164
+CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1,CHEMBL3955132
+CCc1ccc2[nH]c(=O)c(C3c4ccc5cccnc5c4OC(=N)C3C#N)cc2c1,bindingdb_402434
+CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1,CHEMBL1549371
+O=C(O)c1c(F)cc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1F,bindingdb_648727
+CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCCC3)cc2Cl)ccc1O,CHEMBL3613433
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCC#N)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650217
+O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1,bindingdb_999860
+COc1ccc(CC(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1,CHEMBL4210075
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccnc(Br)c3)cc12,CHEMBL3699412
+O=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1,bindingdb_760318
+CCOC(=O)c1s/c(=N/C(=O)c2cccc(OC)c2)n(C)c1C,bindingdb_1026162
+c1ccc(-c2cnc(-c3ccccc3)nn2)cc1,bindingdb_999770
+CNC(=O)CCc1ncn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_653391
+Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c(O)c1,CHEMBL511145
+CCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,CHEMBL215663
+O=C1NC(=O)C(Cc2ccc3c(c2)CC[C@H](Cc2ccccc2)O3)S1,CHEMBL17669
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](CC(=O)O)C(=O)O)cc2Br)ccc1O,CHEMBL236498
+COc1ccc(-c2oc3ccc(N4CCOCC4)cc3c2C#Cc2ccc(N)cc2)cc1,bindingdb_958502
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(CS(C)(=O)=O)nn1,bindingdb_652117
+O=C(N[C@@H]1CCOC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645436
+Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(C(=O)O)cc1,CHEMBL36268
+CCCS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650397
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206393
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_648310
+CCCO/N=C(\c1ccccc1)c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL3397562
+CCCCC/C=C\C/C=C\[C@H](O)CC(=O)CCCCC(=O)O,DB07209
+COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1,CHEMBL3695774
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_652866
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OCC(=O)O)c(C)c1C,CHEMBL1760268
+Cc1nc2ncc(-c3cccc(N(CC45CCC(c6noc(C(C)(C)C)n6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1017430
+CN(c1ccc(C23CC4CC(CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1)S(C)(=O)=O,CHEMBL3397790
+CN(C)C(=O)c1ccc2c(c1)c(Sc1cc(Cl)ccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3914641
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3CCCCC3)cc2)cc1,bindingdb_649759
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2ccncc2)c(F)c1,bindingdb_511773
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(Oc3ccccc3Cl)s2)cc1,CHEMBL3605081
+Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1086776
+CCCn1nc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2c1=O,CHEMBL1449885
+CC1CCN(C(=O)c2nc(C(=O)NCC(C)(C)O)sc2-c2ccc(S(=O)(=O)NCC(C)(C)C)c3ccccc23)CC1,bindingdb_649897
+O=C(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1,bindingdb_69115
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)cc1F,bindingdb_511775
+O=C(NCC1CCOCC1)[C@H]1C[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_654350
+O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCNCC2)c1Cl,bindingdb_168512
+Cc1ccc(-c2nc(CCCCCCO/N=C(/CCC(=O)O)c3ccccc3)c(C)o2)cc1,CHEMBL481550
+Cc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1,bindingdb_112152
+COCCS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_646206
+CCC1CC1S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_650124
+COc1ccc(OCCNCCCF)cc1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_401484
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc3nccn3c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654192
+CCn1cc(S(=O)(=O)N2C[C@H](CC3(C(=O)O)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645802
+N#CCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F,CHEMBL246006
+CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1,CHEMBL4213990
+CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,CHEMBL3605564
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1Cl,bindingdb_650073
+O=C(O)[C@@H]1CCc2cc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc2C1,bindingdb_1019097
+O=C(COc1ccccc1C(=O)NN=Cc1ccc(O)c(O)c1)NN=Cc1ccc(O)c(O)c1,bindingdb_526104
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCOC(=O)CCC(=O)OC)cc3)C[C@@]21C,CHEMBL506443
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)O)c3ccccc3)cc2S(=O)(=O)N1,bindingdb_846261
+N#Cc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c2cccnc12,bindingdb_1017614
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1184134
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(C)C,bindingdb_651848
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1,CHEMBL1455849
+CCOC(=O)N1C[C@H](CCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)[C@@H](C(=O)O)C1,CHEMBL3398460
+CN(c1ccc(C(O)(C#CC(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070352
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263816
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1,CHEMBL254989
+COc1cccc(C(=O)Nc2cc(F)c(Oc3ccc(O)cc3)c(F)c2)c1,CHEMBL4174659
+Cc1ccc(C)c(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1,DB08035
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F,bindingdb_402286
+Cc1cc(C)c2nc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n(C)c2c1,bindingdb_651497
+COc1ccc(Oc2ccc(Nc3ccccc3C(=O)O)cc2C(F)(F)F)cc1,bindingdb_475879
+NC(=O)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645411
+Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1OCCCCC(C)(C)C(=O)O,bindingdb_1002198
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(C(N)=O)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018487
+CCOC(=O)c1c(C)oc2c1c(/C=N/C1CCS(=O)(=O)C1)c(O)c1ccccc12,CHEMBL1983345
+CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1,bindingdb_539835
+Cc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCc2ccc4cccnc4c2-3)cc1,bindingdb_526007
+CN(C)c1ccc(-c2cc3ccc(=O)oc3cc2O)cc1,CHEMBL1835824
+CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL3334726
+CC(C)c1ccc(NC(=O)c2cnc3c(ccn3C)c2Cl)cc1,bindingdb_18563
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cnccn4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018572
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C(C)C)C(F)(F)F)cc1OC(F)F,bindingdb_1182862
+Cc1ccnc(S(=O)(=O)NC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)c1,bindingdb_651980
+CC[C@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL2113027
+CCCCc1cccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)c1,CHEMBL591347
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4ccncc4)cc3C(F)(F)F)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511804
+CC1(C(=O)O)Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192582
+COc1nc2ccc([C@@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCn2c(nnc2C(F)(F)F)C1,bindingdb_55104
+C=C1C[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)[C@@H](/C=C/C(C)=C/C(=O)O)C1,CHEMBL312233
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1,CHEMBL3105795
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1)C(=O)O,CHEMBL3355861
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ncc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1182790
+CC(C)[C@H]1c2ncc(C(=O)NCC(c3ccncc3)N(C)C)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123914
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C(C)C)C(C)(C)C1)cn2C,bindingdb_647560
+Oc1cccc(CN=Nc2cccc3cccnc23)c1,bindingdb_672360
+CCc1ccc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c1,CHEMBL2312127
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)/C(=C(/C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O,2o4j
+CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475991
+C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(=O)C(N)=O)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_649100
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Oc6ccccc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834534
+COC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)c1,CHEMBL3589348
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)cccc3Cl)c3cccnc23)c(F)c1,bindingdb_651934
+CC(=O)N1CCN(C(=O)N2C[C@@H](S(=O)(=O)c3ccc(F)c(Br)c3)[C@H](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_646525
+CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL1783642
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)Cc4nc5cccc(C(=O)OC)c5[nH]4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018899
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C=O)C1CC[C@@H]2O,CHEMBL380978
+COc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1,bindingdb_292644
+CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1,CHEMBL202500
+CCCn1nc(-c2ccc(O)cc2)c2cccc(C)c21,CHEMBL222452
+CC1(C)CCC(C(=O)N2CCN(c3ccc(CCO)c(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)CC1,bindingdb_1143332
+CO/C=C/[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL204389
+CC(C)(C)CNc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183344
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cccn2)cc1,CHEMBL596544
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N[C@H]4CC[C@H](O)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017938
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccccc1,CHEMBL1825123
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)nc2)[C@H]3C(C)C)cc1,bindingdb_206241
+CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cn(CC(=O)NCC3CCCO3)c3ccccc23)C1=O,CHEMBL1386537
+CCC(=O)c1cc(C(C)CC)c(OC(C(=O)O)c2ccccc2)c(C(C)CC)c1,CHEMBL371112
+CS(=O)(=O)N1CC[C@H](CC(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_648766
+CC(C)c1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL507267
+CCCN(C(=O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl)c1cccc(C(=O)O)c1,CHEMBL233484
+COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC,CHEMBL3335651
+CC(C)(C)c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,bindingdb_112262
+CC1CCc2c(sc(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c2C#N)C1,CHEMBL1431081
+COc1ccccc1C(=O)c1sc(N)cc1-c1cc(Cl)cc(Cl)c1,CHEMBL4276733
+CC[C@@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@H](O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183085
+Cn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183428
+O=C(c1ccc(-c2nnco2)cc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646692
+CC(=O)Nc1ccc(S(=O)(=O)C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL122510
+COc1cccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)c1,CHEMBL1445192
+CCCCCOc1nc2c(ccc3ccccc32)cc1C(O)CC#CCCCC(=O)[O-],bindingdb_122666
+COc1cc(OCc2nc(N3CCOCC3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,CHEMBL3716726
+CC(C)CN(Cc1ccc(-c2cccc(NS(C)(=O)=O)c2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263698
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)CC2NBr)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184191
+C[C@H]1CN(C(=O)[C@H](C)C(C)(C)C)CC[C@H]1c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12,bindingdb_648486
+O=C(N1CC(N2CCS(=O)(=O)CC2)C1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651703
+COc1cc(O)c(C(CC(=O)N2CCCC(C)(C)C2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2326702
+Cc1cc(-c2nc(-c3cc4c(C)ccc(C)c4o3)no2)ccc1C(=O)O,bindingdb_965491
+Oc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1,CHEMBL189002
+Cc1cc(-c2cnc(NS(C)(=O)=O)nc2)nc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)c1,bindingdb_653878
+Cc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1,CHEMBL314561
+Fc1cccc(C2c3nnnn3CCN2Cc2cccs2)c1,bindingdb_653775
+O=C(O)C(Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1,CHEMBL573252
+C=CCc1cc(O)cc2nc(-c3ccc(O)cc3F)oc12,CHEMBL189356
+CCC(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cn(C(F)F)nc1C)C[C@H](CNC(C)=O)O2,bindingdb_646414
+C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C2CCc3cc(C(F)(C(F)(F)F)C(F)(F)F)ccc3C21S(=O)(=O)c1ccc(F)cc1,bindingdb_651474
+O=C(O)c1cnc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1C(F)(F)F,bindingdb_1018814
+CCCCCCCCc1ccc(O)cc1,CHEMBL195437
+COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1CN1CCC(n2cccn2)CC1,bindingdb_652783
+CC(C)(C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_649036
+N#C/C(=C/c1ccco1)c1nc2ccccc2s1,bindingdb_672460
+Cc1cc(S(=O)(=O)N2C[C@H](CC3(C(=O)O)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646677
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)C1CC1,bindingdb_654841
+COc1ccc(-c2nc3cc(F)ccc3n2[C@H](C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)C2CCCCC2)c(OC)n1,bindingdb_846210
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(S(=O)(=O)c5cccs5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4203139
+CCn1c(SCCOc2cccc(C)c2)nc2ccccc21,CHEMBL2316567
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,CHEMBL592868
+CC1(C(=O)Nc2nncs2)CC2c3ccccc3C1c1ccccc12,CHEMBL515738
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CC[C@H](CO)C3)CC1,bindingdb_650500
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3OCC2)c(Cl)c1,bindingdb_401322
+Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1,CHEMBL3928010
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C#N)cn2)[C@@]3(C)C(C)C)cc1,bindingdb_270770
+C=C1c2ccccc2C(=O)N(C)c2ccc(C(C)=O)cc21,CHEMBL2171905
+CCn1cc(S(=O)(=O)N2C[C@H](CCc3n[nH]c(=O)[nH]3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_646617
+CC(C)(C(N)=O)c1ccc(C23CCC(/C=C/c4c(-c5ccccc5C(F)(F)F)noc4C4CC4)(CC2)CO3)cc1,bindingdb_1018367
+O=C(O)c1ccc(OC2CCCC2)c2nc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc12,bindingdb_1018672
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183813
+C=C(C)C(O)(c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F,CHEMBL3818136
+CCCCCCn1ccc(=N)cc1,bindingdb_539915
+CCCN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830774
+CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,DB09213
+COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1OCC1CCO1,bindingdb_645953
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)C1CN(C(=O)C(C)C)C1,bindingdb_654758
+C[C@@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL178788
+CCS(=O)(=O)c1ccc([C@H](COC(N)=O)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_270869
+CC(F)(F)C1CCC(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)CC1,bindingdb_1130882
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CS,DB09091
+COc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1,bindingdb_953880
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H](CC(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645065
+Cc1ccc(CN(Cc2cc3cc(C)ccc3nc2O)C(=O)N2CCOCC2)cc1,CHEMBL1587923
+C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)nc1,bindingdb_1017739
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12,CHEMBL3699430
+CC(=O)Oc1ccc2c(Oc3ccc(/C=C/C(=O)O)cc3)c(-c3ccccc3C(C)C)sc2c1,bindingdb_400962
+Oc1ccc(/C=C/c2ccc(O)cc2)cc1,CHEMBL196731
+Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1,bindingdb_539832
+CN(C)c1ccc(C2CN(S(=O)(=O)c3ccc(Cl)cc3)N=C2c2ccc(Cl)c(Cl)c2)cc1,CHEMBL192314
+C=C1c2ccccc2C(=O)N(C)c2ccc(CO)cc21,CHEMBL2171903
+CC1CC(=O)C2=C(C1)OC1=C(C(=O)CCC1)C2c1cc2ccccc2n1Cc1ccccc1,CHEMBL4207636
+CC(=O)N1CCN(c2ccc(CN3CCCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1,bindingdb_647292
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4ccc(C(C)C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019018
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4(C)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263780
+Cc1cc(OCc2c(-c3ccn(C)c(=O)c3Cl)noc2C(C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,bindingdb_846279
+CCCCC(Sc1nc(OCCc2ccc(C(F)(F)F)cc2)cc(OCCc2ccc(C(F)(F)F)cc2)n1)C(=O)O,CHEMBL1170264
+Oc1ccc2c(c1)CCCC(c1ccc(Cl)nc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_403587
+COc1cc(Br)c2c(c1)C(=O)N(c1ccc(O)cc1)C2=O,CHEMBL245132
+O=C(c1ccc2ccccc2c1)N(c1ccc(O)cc1)c1ccc(O)cc1,CHEMBL3645266
+CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)NS(=O)(=O)C(F)(F)F,bindingdb_647394
+Cc1ccc(C2=CC(C)(C)Sc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)cc1,CHEMBL165629
+COc1cc(C(=O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12,CHEMBL4286347
+CCOC(=O)[C@@H](C)C[C@H]1CN(S(=O)(=O)c2cn(CC)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_653372
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCS(=O)C3)c2)c1)c1ccc2c(c1)OCOC2,bindingdb_417637
+Cc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657156
+COc1nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(S(C)(=O)=O)cc1,5ufo
+C[C@@H](NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)C(N)=O,bindingdb_652507
+O=C(N(CC12CCC(c3noc(C(F)F)n3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1)C12CC(F)(C1)C2,bindingdb_1018405
+Cc1nc(NS(C)(=O)=O)ncc1-c1cncc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)n1,bindingdb_647775
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c3ncccc23)s1,bindingdb_645304
+CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)C1,CHEMBL602745
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCc1ccc(I)cc1,CHEMBL266786
+C/C(=N\OCCF)C(Cc1ccc(OCCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O,CHEMBL230518
+CCS(=O)(=O)c1ccc([C@@H](NC(C)=O)C(=O)Nc2cc(-c3cc(C#N)cc(F)c3OC)cs2)cc1,6esn
+Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(CCCc1ccccc1)C(=O)O,CHEMBL382928
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NS(=O)(=O)C4CC4)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652051
+O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,bindingdb_476013
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(=O)N2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_1127342
+O=C(O)c1ccc2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1S(=O)C2,bindingdb_1019048
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2)cc1,CHEMBL3609397
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNS(=O)(=O)C(C)(C)C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018702
+COc1cc(C(C)C)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356229
+N#CCN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1,CHEMBL2059553
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3cn[nH]c23)cc1,bindingdb_1127390
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](CF)N3CC(F)(F)F,CHEMBL429311
+CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,bindingdb_830830
+O=C1[C@@H](c2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1,CHEMBL3360843
+CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O,CHEMBL461883
+CC(C)c1ccc(S(=O)(=O)C23CCN(C(=O)C45CCC(C(=O)O)(CC4)CC5)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_653728
+COc1cc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F,bindingdb_402255
+CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,bindingdb_760395
+O=C([C@H]1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1,bindingdb_652771
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C[C@H]1CC[C@H](C(F)(F)F)OC1,bindingdb_1130829
+Cc1c(C(=O)Nc2ccccn2)oc2ccccc12,bindingdb_672321
+CCN1CC[C@H](Nc2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)[C@H](F)C1,bindingdb_645771
+Cc1cc(OCc2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL208202
+C[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12,bindingdb_649770
+CC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1,bindingdb_953888
+Cc1cc(SC(Cc2c(Cl)cccc2Cl)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2035059
+CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(C3)CS(=O)(=O)C4)nc2C(=O)N2CCC(C)CC2)c(Cl)c1C,bindingdb_653331
+C[C@](O)(COc1cccc(F)c1)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238275
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3ccccc3)cc12,CHEMBL194804
+O=S(=O)(Nc1ccccc1)c1cccc(Cl)c1,CHEMBL3956621
+CC(=O)N[C@@H]([C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(F)(F)F,bindingdb_645186
+CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL596042
+CC(C)NS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648234
+O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCCc2ccccc21,bindingdb_1026124
+CC(C)Oc1cc(C(=O)O)nc2ccc(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1017855
+Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1,CHEMBL3643670
+Cc1ccccc1COc1c(Br)cc(CCC(=O)O)cc1Br,CHEMBL402714
+O=C(O)c1cncc(-c2noc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)c1,bindingdb_1017699
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1,CHEMBL339359
+CC(=O)N1CCN(C(=O)N2C[C@@H](S(=O)(=O)c3ccc(F)c(-c4ccccc4)c3)[C@H](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_645994
+CN(C)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706892
+N#Cc1c(N)nc(SCC(=O)NC2CCCCC2)c(C#N)c1-c1ccc(Cl)cc1,bindingdb_1026186
+CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(Cc4[nH]cnc4Cl)CC3)cc2O1,bindingdb_1127417
+O/N=C1\CCCC(c2ccc(O)cc2)CC1,CHEMBL4290239
+CC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O,CHEMBL303389
+CCCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL492243
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO,bindingdb_401283
+CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccc2C)cc1,CHEMBL2377522
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3F)cc12,CHEMBL3699367
+C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,CHEMBL491510
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_647309
+NC(=O)CN1CC[C@H](CNc2ncnc(N(Cc3cnc(C(F)(F)F)nc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988868
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1,CHEMBL2023239
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1ccc(F)cc1)c1c(Cl)cccc1Cl,bindingdb_998087
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)on4)C3c3cccs3)oc12,CHEMBL1470378
+CN(C)[C@@H]1CCN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_647662
+C[C@H]1CCCN1C(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_648807
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(CO)cc1,CHEMBL597693
+CC1(C)CCC(C)(C)c2cc(C(O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21,CHEMBL4216904
+CSc1ccc2c(ccn2Cc2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c1,bindingdb_206628
+CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1,CHEMBL1916252
+CC1(C)CC(S(=O)(=O)NC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2F)CCO1,bindingdb_1018336
+Cc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@](C)(O)C[C@@H]12,CHEMBL1627757
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2c(C)nn(C(F)F)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648522
+Cc1c(OCCNCCCF)ncnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402299
+Oc1ccc2c(c1)CCCC(c1ccc(F)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401977
+CO[C@@H]1C[C@@H]2CN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CN(C[C@@H](F)C(C)(C)O)C4=O)CCN2C1,bindingdb_1127422
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2nccn2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647022
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(OC(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_271130
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@@H](C)O)c2ccsc12,CHEMBL3640881
+C[C@H](CC[C@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1004527
+Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1,bindingdb_1026204
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)Nc2ccccn2)C3)CC1,bindingdb_649194
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,DB07080
+Cc1cc(C)c2c(c1)NC(c1cc3c(cc1Br)OCO3)C1CC=CC21,bindingdb_112058
+CCCN(CC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccccc1C,bindingdb_1754
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cn[nH]c(=O)c1,bindingdb_648373
+C[C@H]1CCN([C@H](C)COc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL182902
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(I)cc4CC[C@@H]23)CC1,bindingdb_647791
+COc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018709
+Cc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1,CHEMBL1419810
+CC12C[C@H](O)C(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12,CHEMBL255331
+C=CS(=O)(=O)C(c1ccc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F)S(=O)(=O)C=C,bindingdb_476009
+Nc1nc2c(-c3ccc(Br)cc3)nnn2c2ccccc12,bindingdb_1000190
+O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(O)c4)C2O3)cc1,CHEMBL3589357
+COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_400959
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)NCCc3ccccc3)c2)c(Cl)c1,CHEMBL235835
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(N)c(C#N)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653612
+Cc1cc(C(F)(F)F)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(N(C)C)CC4)c3Cl)nc12,bindingdb_646271
+CCCO/N=C(\C)C(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL389298
+CCCCSc1nnc2c(n1)[nH]c1ccccc12,bindingdb_17454
+COc1ccccc1CNC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O,CHEMBL2407666
+Cc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,bindingdb_1074203
+Cc1nnn(-c2ccc(-c3ccc4c(n3)Oc3ccccc3[C@@H]4C(C)(C)C(=O)NC(N)=O)cc2)n1,bindingdb_1054329
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183445
+COc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(Cl)c1CC(F)(F)F,bindingdb_653221
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCOC(=O)CCC(=O)OC)cc3)C[C@@]21C,CHEMBL455530
+COc1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(N)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647564
+O=S(=O)(NCCc1ccc(S(=O)(=O)NC(=S)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1,CHEMBL465747
+CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL584422
+CCO/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1962546
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_651465
+O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL344135
+COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1,bindingdb_1716
+Oc1ccc2c(c1)CCCC(c1ccc(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_402553
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)CCOC)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017598
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(-c4ccn(C)c(=O)c4)cc2)[C@H]3C(C)C)cc1,bindingdb_271055
+O=C(O)C(Sc1nc(Cl)cc(NCCCc2ccccc2)n1)c1cccc2ccccc12,CHEMBL1089826
+CC(C)(CO)[C@@H]1C[C@H](N)c2cc([N+](=O)[O-])ccc2N1,CHEMBL1962843
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)Nc2ncccc2F)C3)CC1,bindingdb_649457
+CC1=CC[C@]2(O)C[C@H]1[C@H](c1ccc(O)c(F)c1)OC2(C)C,CHEMBL181191
+CNS(=O)(=O)c1ncn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651863
+CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nnc3c1C2,CHEMBL212391
+CC(C)(O)c1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)nn1,bindingdb_475978
+O=C(O)c1cc(F)c2c(c1)Oc1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1CC2,bindingdb_1018859
+CCCc1nc2ccc(-c3ccc(O)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4104178
+C[C@@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@H]3[C@H]4C[C@H]4[C@]4(CCC(=O)O4)[C@]3(C)CC[C@H]12,CHEMBL3926496
+CCc1nc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(C)C)s1,bindingdb_645325
+NC(=O)Nc1cc(CCc2cccc(F)c2)ccn1,CHEMBL3643669
+Cc1cccc(Cl)c1C(=O)n1nc(C2=CCC(C(=O)O)CC2)c2c(F)cccc21,bindingdb_648371
+CC1=Cc2ccc(C(=O)O)cc2Oc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc21,bindingdb_1018130
+COc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccccc3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1,CHEMBL376627
+Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2CCc1ccccc1,CHEMBL409147
+CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccccc2)c1,CHEMBL2426660
+O=C(O)c1ccccc1NC(=O)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,CHEMBL1668241
+CCCc1n[nH]c2c1C(C)(C)CN(C(=O)c1ccccn1)C=C2C(=O)OC(C)C,bindingdb_1018100
+COc1cc(Cc2ccc([C@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)ccc1N,bindingdb_417752
+c1ccc2c(c1)CCC2=NNc1nc2ccccc2[nH]1,bindingdb_112100
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(-c4ccccn4)c3)C2)CC1,bindingdb_653426
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC1(F)CC1,bindingdb_402682
+CC(C)(O)C(=O)NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_650117
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cc(C)ccc23)C(F)(F)F)c(C)c1,CHEMBL3093447
+Cn1cc(S(=O)(=O)N2CC[C@H]3Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1,CHEMBL4075975
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183776
+CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1,bindingdb_108540
+O=c1ccc2cc(-c3cccc(-c4cccnc4)c3)ccc2o1,CHEMBL1835831
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H]([C@H](CC(=O)O)C1CC1)O2)C(F)(F)F,bindingdb_645121
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccnc2)C1=O,CHEMBL2407859
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1,CHEMBL1352844
+CCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)cc1,CHEMBL4217947
+CCn1c(C[C@@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127375
+CCOC(=O)CN(C)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143218
+NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1,bindingdb_988876
+CS(=O)(=O)c1cccc(N2CCN(C[C@@H]3C[C@@H]4[C@H](C3)C4(F)F)[C@@H](c3ccccc3)C2)c1,bindingdb_1143261
+CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C=CCC(=O)[C@@]43C)[C@]1(O)[C@@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1,CHEMBL3605563
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCC(C)C)CCC2C(=O)O)c1,CHEMBL256358
+Oc1ccc2c3c(ccc2c1)-c1cc(F)cc(F)c1O[C@H]3c1ccc(OCCN2CCCCC2)cc1,CHEMBL1197094
+Cc1oc(-c2ccccc2)nc1CCOC(=O)c1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1,bindingdb_1003813
+CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1,CHEMBL1229023
+CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL363137
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc2c(F)cc(C(=O)O)cc2s1,bindingdb_1018126
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnc(CCC(N)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648409
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccnc(NC2CCCCC2)c1C#N,bindingdb_1183292
+CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)coc12,CHEMBL198579
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(I)cc3)cc12,CHEMBL3695766
+COc1ccc(O)c(C(=O)CC(=O)c2ccc(F)cc2)c1,bindingdb_69036
+COC(=O)c1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2,CHEMBL294112
+C[C@H]1C[C@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CCN1C(=O)C1CCCC1,bindingdb_651881
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)(C)C)cc3)cc12,CHEMBL3699346
+COC(=O)C1(c2ccccc2)CCCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL384298
+COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3cccc(OC)c3)n2)c1,CHEMBL3264990
+COC(=O)C1(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)CCOCC1,bindingdb_123924
+O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL190905
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL1214620
+O=C(O)c1ccc(-c2nn(C(=O)c3cccc4ccoc34)c3ccccc23)c(F)c1,bindingdb_654274
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H](NC(=O)C(C)(C)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645312
+Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3O)ccc21,CHEMBL1368385
+CCOCCOc1ccc(C(=O)CCN(C)C)cc1,CHEMBL539139
+O=S(=O)(c1ccc(F)cc1)[C@@]12CCN(c3ccccc3)[C@@H]1CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc12,bindingdb_646014
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CC4(COC4)C3)c(S(C)(=N)=O)c2)cc1,bindingdb_206580
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/c4ccccc4C#N)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018848
+O=Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,CHEMBL364419
+COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC,CHEMBL307544
+CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1,CHEMBL494121
+N#Cc1cccc2c(O[C@H]3CC[C@H](NC(=O)c4ccc(Cl)c(F)c4)CC3)ccnc12,bindingdb_475716
+Cc1c(-c2ccn(C[C@H](C)NC(=O)c3csc(C(C)O)n3)n2)ccc(C#N)c1Cl,bindingdb_475829
+C#CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL266488
+COc1cc(OC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_403416
+CN(C[C@H]1CC[C@H](C(F)(F)F)CC1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_649731
+O=C(c1ccc(C(F)(F)F)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1,CHEMBL3765211
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cc1,bindingdb_206566
+COc1cc2ccccc2cc1C(=O)Nc1cc(C)ccn1,bindingdb_55665
+CCO[C@@H](Cc1ccc(OCC=C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CHEMBL328455
+O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1,CHEMBL1415426
+O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CC1,CHEMBL3763725
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)c(OC(=O)C(C)(C)C)c1,bindingdb_645653
+CCS(=O)(=O)c1ccc([C@H](CCO)NC(=O)c2ccc3c(c2)nc(CC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270737
+CCc1cccc(-c2cc(Oc3c(Cl)cc(CC(=O)O)cc3Cl)ccc2O)c1,bindingdb_481767
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(N)cc3)C2)cc1,CHEMBL247814
+O=C1NC(=O)C(Cc2ccc(OCc3cccc(Br)c3)cc2)S1,CHEMBL3758549
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_647321
+CC(/C=C/CN(CC1CC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C)=C\C(=O)O,CHEMBL377178
+CCSc1nnc(Cc2cc(O)nc(O)n2)n1-c1cc(C)ccc1C,CHEMBL1319815
+O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1,CHEMBL182593
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C2CCOCC2)cc1,bindingdb_270915
+C[C@H]1c2c(F)c(-c3cccc4cc[nH]c34)c(F)c(Cl)c2NC(C)(C)[C@@H]1O,CHEMBL1682439
+CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CC4CC4C3)c2)n(CC(C)(C)C)n1,CHEMBL3598232
+CC(c1ccn[nH]1)N(C)C(=O)C1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_649428
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc(=O)n2CC(F)(F)F)cc1,bindingdb_1127403
+O=C(O)c1ccccc1Nc1ccc(C(F)(F)F)cc1,bindingdb_964737
+CS(=O)(=O)NC(=O)c1cccc(C23CCC(COCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CO3)c1,bindingdb_1019025
+C/C(=C\COc1ccc(F)cc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O,CHEMBL3983906
+COc1ccc(C(=O)n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL179330
+CCCCn1c(=O)c2ccc(OC)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,CHEMBL1765174
+CCOC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C,bindingdb_1131058
+Cc1nc(C(=O)N[C@@H](C)[C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)c2ccccc2)no1,CHEMBL3940724
+Cc1nnc(C(=O)N[C@@H]([C@H](C)O)[C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)c2cc(F)cc(F)c2)o1,CHEMBL4217597
+Cc1cccc(C)c1Sc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL462027
+C=C(C)[C@@H](O)[C@@H](O)C[C@@H](C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1,CHEMBL3632627
+CC(F)(F)c1ccc(CN(c2ncnc(NC[C@@H]3CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cn1,bindingdb_988712
+N#Cc1cccc(CN(c2ncnc(NCC3CCN(CC(N)=O)CC3)c2F)C2CC2)c1,bindingdb_988646
+CCOc1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)C)n5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cn1,bindingdb_1017386
+Cc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1,CHEMBL3695868
+CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C(C)=O)c1C,bindingdb_1026157
+O=C1N(Cc2ccc(O)cc2)c2ccc(Br)cc2C12CCN(S(=O)(=O)c1cccs1)CC2,bindingdb_846316
+C[C@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)F)s1,bindingdb_1183775
+CS(=O)(=O)c1ccc2c(c1)CN(C=O)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1,bindingdb_650791
+O=C([C@@H]1[C@@H]2COC[C@@H]21)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647638
+CCSC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,CHEMBL193108
+CC[C@@]1(C(=O)O)Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1,CHEMBL193459
+CCCc1nc2cc(C(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL1214825
+CCc1cc(Oc2c(I)cc(CC3NC(=O)NC3=O)cc2I)ccc1O,CHEMBL264153
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)ccc(F)c3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_648845
+Cc1ccc(N=Nc2c(N)n(-c3ccccc3)[nH]c2=O)cc1,bindingdb_112125
+CCC(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,bindingdb_1005046
+Cc1ccnc(NC(=O)/C=C/c2cccs2)c1,bindingdb_999855
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC(C)(C)C3CC3)cc2C(F)F)s1,bindingdb_1184055
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CC(=O)NS(=O)(=O)C(F)(F)F)Oc2ccc(NC(=O)OCC(C)(C)C)cc21,bindingdb_648776
+O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1,CHEMBL3961285
+Cc1cccc2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12,bindingdb_1050097
+CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CC3CC2CC3n2cnnc2)cc1F,bindingdb_651013
+O=C(O)C1CC2(C1)CN(C(=O)[C@H]1C[C@@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C1)C2,bindingdb_650835
+COC(=O)c1ccc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_654151
+CCC[C@@]12C=C(C#N)C(=O)C[C@H]1CCc1c(-c3ccccc3F)nc(-c3ccnc(CF)c3)nc12,bindingdb_651137
+Cc1oc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc(C[C@H](OCC2CC2)C(=O)O)c2sccc12,CHEMBL485188
+O=C(O)CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650432
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)cc1,CHEMBL255930
+CC(Cc1ccc(Oc2cc(N3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL538875
+CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183372
+CC1(C)CN(Cc2nc(-c3ccccc3)no2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830955
+O=C(O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12,CHEMBL1363824
+C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C(F)(F)F,CHEMBL569061
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_651377
+COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F,CHEMBL1253819
+Cc1ccc(C2=CC(C)(C)Sc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)s1,CHEMBL163223
+COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC,bindingdb_539834
+O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL491500
+COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1,bindingdb_112137
+CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1130947
+CC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)c(F)c2Cl)nn(C)c1=O,bindingdb_965608
+CCCCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL494676
+CC(C)(C)OC(=O)N[C@H]1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,bindingdb_998202
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCO)cc3)C[C@@]21C,CHEMBL489300
+COc1cc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)nc(C(=O)O)c1,bindingdb_1018304
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC(CO)(CCl)CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263690
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)CCCC3C(=O)O)cc1,CHEMBL1834967
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)(C)CC)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1963629
+CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1,CHEMBL3643677
+Cc1nnc(-c2ccc(N3CCN(c4ncc(CO)c(C(F)(F)F)n4)[C@H](C(C)C)C3)cc2S(C)(=O)=O)o1,bindingdb_1143432
+CC(C)[C@H]1c2ncc(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123888
+COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCN(C)CC3)n2)cc1,bindingdb_672341
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4cncs4)ccc23)cc1,bindingdb_655021
+CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_206584
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncoc1C,bindingdb_653111
+CC(C)CN(Cc1ccc(N2CCC3(CCNC3=O)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_647751
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC(N4CC(F)C4)C2)C3)c(F)c1,bindingdb_648348
+Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc(OCC(=O)O)cc1,CHEMBL37495
+CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1,bindingdb_124666
+NCCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3422036
+Clc1cc2nc(-c3cc4ccccc4n3Cc3ccccc3)[nH]c2cc1Cl,CHEMBL4161120
+CCC(CC)(c1ccc(OCC(O)C(C)(C)CCCCc2ccccc2)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1,CHEMBL1269464
+CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1)C(=O)O,CHEMBL246486
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)F,bindingdb_645389
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@H]3C[C@@H]2C[C@@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018770
+Cc1ccc2nc(-c3cccc(Cl)n3)c(NCc3ccccc3)n2c1,CHEMBL4103042
+CCC1(O)CC(C)(C)c2cc(-c3ccc(C#N)n3C)ccc21,CHEMBL585188
+CC(C)(O)c1ccc(-c2cccc(N(CC34CCC(c5noc(C(C)(C)F)n5)(CC3)CC4)C(=O)NCC3(O)CC3)c2)cc1,bindingdb_1018281
+Cc1ccc[n+](CC(=O)c2ccc(Br)cc2)c1C,bindingdb_91250
+CC(/C=C/[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,CHEMBL312395
+O=[N+]([O-])c1ccc(N2CCCC2)c2ccccc12,CHEMBL570897
+COc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1,CHEMBL573523
+CS(=O)(=O)c1ccc(C#N)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CHEMBL3092199
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1,CHEMBL489074
+N#Cc1c(NCCN)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,CHEMBL1453264
+CCCCCCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,CHEMBL482740
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)c1ccccc1C#N)O2)C(F)(F)F,bindingdb_650916
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(Oc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206388
+CC[C@H](Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@H]3CC[C@H](S(C)(=O)=O)CC3)nn2CC)cn1)C(F)(F)F,bindingdb_1182672
+Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961198
+N#CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,CHEMBL188951
+NC(=O)C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1,bindingdb_69011
+Cc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)sc1C(=O)O,CHEMBL374682
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4C)oc3C)ccc21,CHEMBL438979
+O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1,CHEMBL1242923
+OC(c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL1095542
+CCn1c(CC2CCC(C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,bindingdb_1127418
+CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCC3)cc2Cl)ccc1O,CHEMBL3613432
+COc1cccc(/C=C2\N=C(c3c(-c4ccccc4)noc3C)OC2=O)c1OC,CHEMBL1390728
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C(F)(F)F)c2=O)nc1,bindingdb_646398
+CCC12CCC(=O)C(C)=C1c1ccc3[nH]nnc3c1C2,CHEMBL379314
+N#Cc1cccc(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1018204
+CCC(Cc1cc(C)ccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094475
+Cn1cc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)cn1,CHEMBL1916245
+C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCC)=C2c1ccccc1,CHEMBL1765953
+CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,CHEMBL3350384
+CC1(C)C=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC[C@@H]1C(=O)O,bindingdb_647090
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)COCO2,CHEMBL4066614
+Cc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C,bindingdb_45571
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183858
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2ccc(C#N)c(OC)n2)[C@H]3C(C)C)cc1,bindingdb_270788
+CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1,CHEMBL1404955
+O=C(O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)c3c(F)cccc32)cc1,bindingdb_206402
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3ccnc(OC)c3)c(S(C)(=N)=O)c2)cc1,bindingdb_54949
+Cc1cc(Oc2c(I)cc(CC3NC(=O)NC3=O)cc2I)ccc1O,CHEMBL264152
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263605
+COc1ccc(C(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N2CCCC2)cc1,bindingdb_55603
+N#CC1(C(=O)NC2CC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_653545
+CC(C)CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)s1)S(=O)(=O)Cc1ccccc1,CHEMBL3263708
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(CC(C)(C)O)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646331
+C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(O)c3Cl)cc21,CHEMBL206375
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)F,bindingdb_402144
+CC1=C[C@H](C)[C@]2(CO)CO[C@H](c3ccc(O)cc3)[C@H]1[C@@H]2C,DB07195
+O=C(O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1017752
+CCCCCCN(CCCCCC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL224216
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C#N)c1CC(F)(F)F,bindingdb_649420
+C=CCC1Oc2c(C=C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL415309
+Cc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cc(O)ccc1O,bindingdb_356208
+COc1ncc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)cc1Cl,bindingdb_403812
+O=C(Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1,bindingdb_292596
+CN(C)C(=O)CNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_651413
+C[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1)C(C)(C)C,bindingdb_654566
+Cn1c2c(c3ccc(O)cc31)C(C)(C)Sc1cc(O)ccc1-2,CHEMBL379244
+CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_647906
+O=C(NCc1ccco1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,CHEMBL1387228
+Cc1c(-c2ccc(O)c(F)c2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657163
+O=C(O)CSc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1,CHEMBL3318036
+CN(C)CCOc1ccc(Oc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL4166688
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(C(F)(F)F)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263652
+Oc1ccc2cc(-c3ccccc3)sc2c1,bindingdb_404107
+O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,CHEMBL191275
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCc1nnn[nH]1)O2)C(F)(F)F,bindingdb_646970
+Cc1cnc(-c2ccc(C(F)(F)F)nc2)n1Cc1ccccc1OCCCCCC(=O)O,bindingdb_1002270
+C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1,bindingdb_760234
+Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)cnn1-c1ccccc1,bindingdb_539960
+Cc1sc(N2CCOCC2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1,CHEMBL223351
+COC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,CHEMBL3313989
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183083
+Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O,CHEMBL480162
+COc1ccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)cc1OC,bindingdb_1747
+CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,bindingdb_831167
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C2CCC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270531
+CCc1cc(CN2CCCC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206500
+Clc1ccccc1Nc1nc2ccccc2o1,bindingdb_1000200
+CN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1,CHEMBL1307923
+COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1,bindingdb_831342
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCCOC1,bindingdb_648122
+CCC(Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2O)cc1)C(=O)O,CHEMBL1813195
+c1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,bindingdb_69318
+CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1,CHEMBL1916244
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(C)c23)C(F)(F)F)c(C)c1,CHEMBL3093445
+Cc1cc(Oc2ccc3nc(COc4ccc(C#N)cc4)n(C)c3c2)cc(C)c1N,CHEMBL4300918
+COc1ncc(Cl)c(Cc2cc3c(C)cc(C(F)(F)F)cc3n2C)c1Cl,bindingdb_652743
+O/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12,CHEMBL231810
+O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1,CHEMBL21333
+CC(C)(C(=O)NC(=O)C1CC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315054
+Cn1cc(C(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)cn1,bindingdb_646533
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CC5CCC4C5)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263660
+CCCCCCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1ccccc1,CHEMBL230732
+CC(C)n1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)ccc1=O,bindingdb_965673
+O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Br)c(C(F)(F)F)c1,bindingdb_672628
+CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1,CHEMBL3358941
+CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1,bindingdb_953741
+Cc1nn(C)c(C)c1CN1CCn2nnnc2C1c1cn(-c2ccccc2)nc1C(C)C,bindingdb_649767
+COc1cc(O)c(C(CC(=O)N2CCCC(C(F)(F)F)C2)c2ccc3c(c2)OCO3)c(OC)c1,CHEMBL2312122
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1,CHEMBL198207
+NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1,bindingdb_112269
+O=C(NCc1ccncc1)[C@H]1C[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_650570
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccco1,CHEMBL1574133
+COCCNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3596606
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC(C)(C)OC)c(Cl)c1Cl)C(F)(F)F,bindingdb_645795
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cc2F)N1CC(F)F,bindingdb_403124
+Cc1cc(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)c(C)c2)ccc1O,CHEMBL4290089
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12,CHEMBL3678118
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(F)ccc3C(F)(F)F)cc12,CHEMBL3699387
+Cc1nnc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)s1,bindingdb_1000261
+COc1ccncc1-c1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,bindingdb_988888
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n(C3(C)CC3)c2=O)nc1,bindingdb_646186
+Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL3545019
+COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccc(OC(F)(F)F)cc43)noc2c1,CHEMBL1946758
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@H](C)C(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F,bindingdb_1183973
+Cc1ncsc1C(=O)NCc1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1Cl,bindingdb_18595
+C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)C)oc3C)ccc2C[C@H]1C(=O)O,CHEMBL1962439
+O=C(O)c1cc(OC2CCC2)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017957
+O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCc1ccncc1,bindingdb_1741
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)(F)F)ccc2F)c1)C12CC(F)(C1)C2,bindingdb_1017421
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)O)cc1,CHEMBL2112870
+O=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1ccccc1,CHEMBL3623096
+C=C(C)c1cccc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21,bindingdb_653954
+CC(C)[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,CHEMBL182794
+Cc1coc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc12,CHEMBL219723
+CN(C)C(=O)c1ccc2c(c1)c([S+]([O-])c1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3956564
+COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1,CHEMBL1087467
+COc1cccc(/C=C/C(=O)NNC(=O)c2ccccc2)c1OC,bindingdb_55682
+CCOC(=O)C(C(=O)OCC)c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F,bindingdb_652324
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(OC(F)F)n1,bindingdb_652634
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2cc(OC)ccc2OC)C3C1=O,CHEMBL1604120
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc5ncccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263709
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC[C@H](O)C(F)(F)F)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183137
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(I)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640874
+C[C@](O)(COc1ccc(Cl)cc1F)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3233070
+NS(=O)(=O)c1c(Cl)cc(-c2sc(C(=O)NC3CCOCC3)nc2CC2CCCCC2)cc1C(F)(F)F,bindingdb_652466
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC)c(OC)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018956
+CCN(CC(F)(F)F)C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_647541
+COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1OC(C)=O,bindingdb_584383
+CN(Cc1ccccc1F)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F,CHEMBL2070095
+O=C(C1CCN(c2ccncc2)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_647450
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C,DB05423
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699439
+CCn1cc2c(n1)CCC(c1ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc1)(S(=O)(=O)c1ccc(F)cc1)C2,bindingdb_651327
+CC(C)(Oc1ccc(CNC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)cc1)C(=O)O,CHEMBL401560
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(F)cc1-3,CHEMBL320164
+CC(C)CN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21,CHEMBL437622
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1c(F)cc(CC(C)C(F)(F)F)cc1F,bindingdb_1183190
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@](c3ccc(C(OCC4CCC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_651559
+CCC1=C(c2ccc(O)cc2)C(C(=O)Nc2ccc(O)cc2)c2cc(O)ccc21,CHEMBL198042
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640872
+CCCCNC(=S)NS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1,CHEMBL3943220
+COc1nc(NCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_403604
+C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648847
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1183802
+CC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1,CHEMBL2338482
+CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,CHEMBL555484
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ncc(Cl)cn1,bindingdb_999620
+CC(C)CN(Cc1ccc(N2CCC(C#N)CC2)cc1)S(=O)(=O)Cc1ccccc1,CHEMBL3317830
+COc1cc(NC2CN(CCCF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_402524
+CC(=O)NCCN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127409
+C=C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,CHEMBL373019
+C[C@@]12C=C(C(=O)O)C[C@H]1[C@@H]1CCc3cc(O)c(C(=O)c4ccccc4)cc3[C@H]1CC2,CHEMBL4225360
+CN1CCN(c2ccc(C3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1,CHEMBL194334
+COc1ccc(C(=O)n2c(C)c(Cc3cccc(OCC#N)c3)c3cc(OC(F)(F)F)ccc32)cc1,CHEMBL191087
+O=S(=O)(Nc1ccccc1)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1083149
+COc1ccc(CC(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_988904
+COc1cc(N2CCCC2)c(OC)cc1C=c1sc2nc3ccccc3n2c1=O,bindingdb_982660
+CC(O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1130734
+CCCc1cc(C(=O)CC)cc(CCC)c1OC(C)(C)C(=O)O,CHEMBL190665
+CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@@H]1C2,CHEMBL179295
+CCC(=O)c1cc(C)c(OC(C(=O)O)c2ccccc2)c(C)c1,CHEMBL189950
+Cc1ccccc1C1CC2CCC(C1)N2C(=O)CCCc1c(C)noc1C,bindingdb_476102
+CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@](C)(c2ccc(Br)cc2)C1,bindingdb_651641
+COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,DB00269
+CC(=O)NC(C)(C)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648514
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)c1,CHEMBL256134
+COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1,bindingdb_672504
+COc1ccc(C2c3nnnn3CCN2Cc2cccc(OC)c2)cc1,bindingdb_650022
+Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-],bindingdb_831306
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183129
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCCCCC3)cc2)Oc2ccc(O)cc21,CHEMBL4171078
+Cc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(Cc3ccccc3)C2)cc1F,bindingdb_653163
+Cc1ccc(-c2nc(CCCCO/N=C(\CCC(=O)O)c3ccccc3)c(C)o2)cc1,CHEMBL481549
+CC(C)(C)c1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O,CHEMBL74218
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)CC3CCCC3)C(C)(C)C1)cn2C,bindingdb_647732
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183887
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3ccn(CCS(C)(=O)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652006
+C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL410683
+Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1,bindingdb_1000112
+CCn1cc(S(=O)(=O)N2C[C@H]([C@H](C)NC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCCO)n1,bindingdb_645176
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(CC)(C(=O)OC)c1ccccc1,CHEMBL263089
+Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)CC(c1ccco1)C2,CHEMBL1533166
+CC1(C)COCCN1C(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_645805
+CCCCC(Sc1nc(OCCC2CC2)cc(OCCC2CC2)n1)C(=O)O,CHEMBL1172001
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3c(C)nc(N)nc3C3CC3)nc21,bindingdb_649217
+CC(C)(C)c1cc(C(=O)O)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018001
+CN(C)CC(F)(F)CNC(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_648691
+Cc1cc(C#N)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(CCO)CC3)c1Cl)n2C,bindingdb_206312
+O=C(O)c1cc(NC(=O)C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc(C(F)(F)F)c1,bindingdb_1018869
+Cc1ncsc1C(=O)NCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,bindingdb_476001
+O=C(/C=C/c1ccccc1O)c1cc(Br)ccc1O,CHEMBL4293816
+O=C(NCC1CCS(=O)(=O)C1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645747
+C=CCC1Oc2c(C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7655
+O=C(N(CC12CCC(c3ccc(C(F)(F)F)cn3)(CC1)CC2)c1cccc(-c2cnc(C(F)(F)F)nc2)c1)C12CC(F)(C1)C2,bindingdb_1017588
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)n1,bindingdb_1018778
+CCS(=O)(=O)c1ccc([C@H](CC(N)=O)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271082
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)cc1C(F)(F)F,bindingdb_645610
+COc1ccc(NCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)F,bindingdb_401449
+COC(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F,CHEMBL203824
+C[C@]12C[C@H](c3ccc4c(c3)OCO4)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(S(C)(=O)=O)cc1,bindingdb_168586
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)cc1,CHEMBL3609395
+COc1cc(/C=C/c2ccc(F)cc2)cc(OC)c1,CHEMBL179374
+CCCCCOC(=O)c1c(C)oc2cc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)ccc12,CHEMBL3234032
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC)cc3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640821
+O=C(Oc1cc(O)ccc1C(=O)O)c1ccccc1,CHEMBL2071178
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ncc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_206334
+Cc1ccc(CNc2nc3ccccc3s2)s1,bindingdb_45546
+Cc1cc(NC(=O)c2nn3cccnc3c2Cl)no1,bindingdb_1000162
+CN(CCOc1ccc(CC(Nc2ccncc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL149309
+Cc1nnc(C(C(C)C)N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)n1C,CHEMBL563070
+C[C@@H](CN1CCOCC1)n1/c(=N\C#N)[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc21,CHEMBL4068598
+Cc1cccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1,CHEMBL3621225
+O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1,CHEMBL3263231
+C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)O/C7=C\c7ccccc7O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,CHEMBL3313988
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cncc(C#N)c2)cc1,CHEMBL3086018
+NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1,bindingdb_292560
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C5CC5)ncnc4C4CC4)nc3n([C@H](C)C(C)C)c2=O)nc1,bindingdb_647688
+CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1,CHEMBL3422028
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1,CHEMBL1087590
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1,CHEMBL1434961
+c1ccc(CSc2ccc(-c3cccs3)nn2)cc1,bindingdb_1000374
+CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O,CHEMBL1392657
+CCCCCCCCCc1ccc(OCCOCCO)cc1,CHEMBL194034
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6ccccc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834541
+COc1nc2ccccc2cc1C(=O)/C=C/c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1,bindingdb_1002033
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H]2CC[C@@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1182959
+CCOC(=O)c1cn[nH]c1NC(=S)Nc1ccccc1,bindingdb_999820
+COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1F,bindingdb_68985
+COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccc(Cl)cc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C,CHEMBL2042809
+O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL4064973
+OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1,bindingdb_1184320
+CNC(=O)c1ccc2c(c1)c(Sc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3951385
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL428011
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccc(C(F)(F)F)cc3)c2)cc1,CHEMBL3109227
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@@H]2CCCC2(F)F)cc1C(F)(F)F,bindingdb_1184061
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_654777
+CCOc1ccccc1NC(=O)c1ccc2nccnc2c1,bindingdb_958528
+Cc1c(OCCNCCCF)ccnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_402463
+COc1ccccc1C[C@@H](CO)NC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_647002
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C(C)=O)cc1,CHEMBL1835813
+CC(C)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426637
+O=C1CC(c2ccccc2O)Oc2ccc(Cl)cc21,CHEMBL4279318
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1c2ccccc2C[C@H]1O,bindingdb_651059
+Cc1cc(C2CC2C(OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O,CHEMBL3103198
+COCCOCCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_652437
+CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(OC)c1,CHEMBL4059588
+CC(C)(C)OC(=O)N1CCCc2c1c(-c1ccc(C(=O)O)cc1F)nn2C(=O)c1c(Cl)cccc1C1CC1,bindingdb_645827
+Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,CHEMBL1485842
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(-c4ccccc4)c3)c2)c(Cl)c1,bindingdb_481605
+O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccccc1,CHEMBL1549101
+CCCCCCOc1ccc(C(=O)CCNc2cccc(Cl)c2)cc1,CHEMBL540227
+CC(C)CN(c1ccc(C(O)(C#CCc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070358
+O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc(=O)c1O,bindingdb_539938
+CC(=O)NC1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CCOCC1,bindingdb_650099
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652656
+Oc1ccc(-c2nc3cc(O)cc(/C=C\Br)c3o2)c(F)c1,CHEMBL361272
+CC(C)(O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL506419
+CC(C)[C@H]1c2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2CN1Cc1nnn(C)n1,bindingdb_270766
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(Br)c2)c(Cl)c1,CHEMBL371245
+Cc1ccccc1OCCSc1nc2ccccc2[nH]1,CHEMBL2316539
+O=C1OCCC1Sc1nnc(-c2ccc(Br)cc2)o1,bindingdb_1026219
+Cc1ccccc1N1C[C@@H](C)N(C(=O)CSCc2c(C)noc2C)[C@@H](C)C1,bindingdb_475733
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc12,CHEMBL3695846
+C[C@]12CCC(c3ccc(O)cc3)C[C@H]1CC[C@@H]2O,CHEMBL3134122
+CCCc1c(-c2ccc(O)cc2)cn(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL2178794
+CCS(=O)(=O)c1cnc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H](C)C(C)C)c2=O)nc1,bindingdb_648251
+CC1(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccccc5Cl)cc4)nc3c2)CC1,CHEMBL385936
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]12,bindingdb_651926
+O=C(O)c1c(NCc2ccccc2)ncnc1SCc1ccccc1,CHEMBL1169712
+COc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1,CHEMBL2407665
+O=C1NC(=O)C(=Cc2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1,CHEMBL496729
+C[C@@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@]1(C)C(=O)O,CHEMBL509623
+Cc1cc(C(=O)O)c(O)cc1-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2c1CCCC2,bindingdb_998219
+O=C(C1CCCC1)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21,bindingdb_1000044
+CC(C)(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1,CHEMBL3262343
+O=C(Nc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,bindingdb_583997
+CC(C)(c1nc2nccnc2[nH]1)[C@@H]1c2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc2Oc2c(F)cccc21,bindingdb_1054349
+COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1,CHEMBL2407642
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2[nH]1,CHEMBL1940696
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(CCO)CC1)c1ccccc1CC2,CHEMBL1625328
+Cc1c(C(=O)Nc2ccccc2)csc1-c1ccccc1,bindingdb_999949
+CCS(=O)(=O)N1CC(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)C1,bindingdb_1127536
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c3cc(Br)ccc32)cc1,bindingdb_846280
+CCC12CCC(=O)C(C)=C1c1ccc3[nH]nc(Br)c3c1C2,CHEMBL379566
+CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,CHEMBL3315057
+Cc1cc(OC(F)(F)F)cc2ccn(Cc3c(Cl)ccc(C(=O)N4CCC(CCC(=O)O)CC4)c3Cl)c12,bindingdb_206606
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC(CO)c1cc(Cl)cc(Cl)c1,bindingdb_652749
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c1Cl)n2C,bindingdb_646938
+CC(=O)Oc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1,CHEMBL3775434
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2c1CCC2,bindingdb_645891
+Cc1nn(C2CCOCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168504
+N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1CCC(=O)N1,bindingdb_292581
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)=O)c4)ccc1c23,CHEMBL3234255
+CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1,CHEMBL491147
+Clc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,bindingdb_672582
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)OCC(C)C)C2)c1,CHEMBL403432
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)C[C@H]1O,bindingdb_652512
+Cn1cc(N(Cc2ccccc2)c2ccc(C#N)cc2)cc1C(=O)N1CCCC1,CHEMBL480955
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1I,CHEMBL561050
+CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)ccc1O,CHEMBL41036
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCCCC(=O)NO)nn2)cc1,bindingdb_475652
+C[C@H]1CC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC2N1C(=O)[C@H]1CC[C@H](C(=O)O)CC1,bindingdb_650698
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)NC1CC1)O2,bindingdb_648542
+ONC=Nc1ccc(N2CCOCC2)c(Cl)c1,bindingdb_114831
+COc1cc(C(C)=O)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,bindingdb_356350
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccc(Cl)cc2)c(C)c1,CHEMBL3261413
+CN1CCCc2c1c(-c1ccc(C(=O)O)cc1F)nn2C(=O)c1c(Cl)cccc1C1CC1,bindingdb_653230
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(SC)c2)cc1,bindingdb_652093
+COc1ccc(-c2c(Oc3ccc(OCCN4CCCC4)cc3)c3ccc(OC)cc3oc2=O)cc1,CHEMBL4172860
+O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)Nc1ncc(Cl)cc1Cl,CHEMBL1386397
+Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1CCc1ccccc1,CHEMBL1465900
+COC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3cccnc23)c(F)c1,bindingdb_647039
+CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cncc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)n1,bindingdb_1017591
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H](C)c2cccc(Cl)c2)C1=O,CHEMBL2407671
+COc1cc(CNC(=O)C2(Cc3ccccc3)CCN([C@H](C)c3ccccc3)C2=O)cc(OC)c1,CHEMBL2407657
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CCC#N)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649004
+CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(/C=C/C(=O)O)cc2)c(F)c1,CHEMBL4066683
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)C[C@H](CC1(C(=O)O)CC1)O2)C(F)(F)F,bindingdb_645973
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(C(=O)O)C(C)C3)c1Cl)n2C,bindingdb_646233
+COc1cc(OCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_402541
+CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc4ccccc4c3)nc2C)c1,CHEMBL2397337
+CCn1cc(S(=O)(=O)N2C[C@H]([C@@H](CC(=O)O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_645117
+COc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1,CHEMBL469601
+COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)c1ccccc1)CC2,bindingdb_69329
+CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1,CHEMBL3585575
+CCNC(=O)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645516
+CS(=O)(=O)N1CCC(O)(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648090
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC(=O)NCCCC)cc3)C[C@@]21C,CHEMBL505959
+CCOc1ccc(C2c3nnnn3CCN2Cc2cccc(C)c2)cc1,bindingdb_652813
+CC(C)(Cc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F)C(=O)O,bindingdb_1018633
+CC1(C)Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SC3)ccc2N1,bindingdb_401647
+N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O,CHEMBL476008
+CCN(CC)C(=O)c1nc(C(=O)NC[C@H](C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_645428
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccnc2)C(=O)O)cc1,CHEMBL148384
+O=C(O)c1ccc(CN2C(=O)C3(CCN(S(=O)(=O)c4ccccc4Br)CC3)c3cc(Br)ccc32)cc1,bindingdb_846287
+CCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL595580
+CC(C)(Sc1nc2cc(Br)ccc2s1)C(=O)O,CHEMBL583973
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1,CHEMBL1835832
+O=C1OCc2cc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc21,bindingdb_1018884
+Cc1ccc(C)n1-c1ccc(C(=O)O)c(Cl)c1,CHEMBL387115
+CC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)(Oc1ccccc1)C(=O)O,CHEMBL491597
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1183689
+CC(C)CN(Cc1ccc(N2CC(C(N)=O)C2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654065
+CCC(Oc1cccc(CN(CCCOc2ccc(C)cc2C)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL427701
+CCC(C)(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183674
+CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022745
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(C(C)(C)C)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263734
+Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,bindingdb_476096
+CC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183294
+CN(C)c1ccc(-c2cc3ccccc3c(=O)o2)cc1,bindingdb_999829
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccc(C#N)cc1,bindingdb_654496
+C=Cc1cc(O)cc2c1-c1ccc(O)c(C)c1CC2,CHEMBL205119
+CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1,6jio
+CCN(CC)CCOc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1,CHEMBL3657178
+COc1ccc2c(c1)c(Cc1ccccc1C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL361427
+COC(=O)[C@]1(C)N[C@H](CN(C)C(C)=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21,bindingdb_672670
+C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL122495
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CC1)c1ccccc1CC2,CHEMBL3763979
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CC[C@@H](O)C1,bindingdb_653880
+CC(C)=CCN(C(=O)N(C)[C@H]1CC[C@H](c2ccncc2)CC1)c1cccc(NC(=O)c2ccccc2)c1,5vb6
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)OC=O)n3)nc2CC2CCCCC2)c(OC(F)(F)F)c1)C(F)(F)F,bindingdb_645893
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(CO)CC#N)cc1F,bindingdb_651300
+O=C(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647137
+C=c1c(C(=O)OC)c(O)c(=Cc2cccs2)n1-c1ccccc1,bindingdb_34131
+CCCCCCCCCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3098275
+CC(C)(C)NS(=O)(=O)c1cnc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)nc1C(C)(C)C,bindingdb_654067
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1,bindingdb_953805
+C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,DB15488
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2(F)CCC2)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270646
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ncc(S(C)(=O)=O)s3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_653345
+CC(O)(C(=O)Nc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2Cl)cc1Cl)C(F)(F)F,CHEMBL494843
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)c1ccco1)O2)C(F)(F)F,bindingdb_645839
+CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COC12CCC(c3nc(-c4ccc(C(=O)O)cc4)no3)(CC1)CC2,bindingdb_1017794
+O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,CHEMBL1331084
+Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl,bindingdb_672473
+O=C(C1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC2C1,bindingdb_649995
+NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1,CHEMBL136112
+O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(CC(F)(F)F)C(F)(F)F)cc1,CHEMBL388024
+C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)S1(=O)=O,4ymq
+CN1C(=S)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C,CHEMBL362518
+Cc1ccccc1C(=O)Oc1ccc(O)c(C(C)(C)C)c1,CHEMBL3613410
+CNC(=O)c1ccc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,bindingdb_476093
+Cc1cc(-c2noc(-c3cc4c(C)ccc(C)c4o3)n2)ccc1C(=O)O,bindingdb_965508
+O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCC1,CHEMBL3763664
+CCC(Cc1ccccc1)=C(c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1,CHEMBL4278683
+Cc1cc2c(cc1C)NC(c1c(C)n(C)n(-c3ccccc3)c1=O)C1C(=O)CC(C)(C)CC1=N2,bindingdb_34075
+N#CC1(CS(=O)(=O)c2ccc3c(c2)CNC3C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1,bindingdb_651372
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc(O)c2)CC1,CHEMBL1405182
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCNCCCF)cn2)N1CC1(F)COC1,bindingdb_402227
+CC(C)(O)C(=O)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_652961
+Oc1ccc(C(=Nc2ccc(F)cc2)c2ccc(O)cc2)cc1,CHEMBL3234621
+CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccc(F)cc21,CHEMBL603278
+CC(C)(CC(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL373239
+COc1cc(S(=O)(=O)N2C[C@H]([C@@H]3C[C@@H]3C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_645644
+CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1,bindingdb_30441
+CCc1cc2c(=O)n(CC)c(SC(C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2s1,CHEMBL1518528
+C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O)C4(C)C)[C@]3(C)CC[C@]12C)C(=O)O,CHEMBL487001
+O=C(O)c1ccc(C23CCC(COCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)(CC2)CO3)cc1,bindingdb_1019010
+Cc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1C,bindingdb_653001
+C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL372390
+CN1C[C@@H](N(Cc2cccc(F)c2F)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL552284
+CCOc1nn(CC)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)C(C)(C)O)[C@H]1C,bindingdb_645104
+COc1ccc(S(=O)(=O)N2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CCC2CC(=O)NC[C@@H](F)C(C)(C)O)cc1,bindingdb_646950
+c1ccc(N2CC3CCc4ccccc4C3=N2)cc1,bindingdb_999814
+CC(C)OC(=O)N1Cc2cc(S(C)(=O)=O)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_646649
+O=C(O)[C@H]1CCCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645095
+Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)CC2O,CHEMBL568081
+CCS(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(=O)NC)cc1,bindingdb_1054284
+CN1C[C@H](COc2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1=O,bindingdb_1127441
+Cc1ccc(C(=O)c2nc(C)c(C)n2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)cc1,CHEMBL1760556
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CC[C@H](O)C3)CC1,bindingdb_654038
+CCc1cc(CCC(C)(C)C)ncc1-c1c(Cl)c(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)nn1CC,bindingdb_1183853
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3699434
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H](C#CC#C[C@@H](O)[C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)CC[C@@H]23)C[C@H]1O,4ynk
+O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](CO)N3CC(F)(F)F,CHEMBL404512
+CCCc1cc2c(oc(=O)n2C)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL190517
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc([C@H](O)C(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183631
+CCCC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,CHEMBL3765187
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL221342
+O=C(O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1,CHEMBL3127039
+O=C(c1ccccc1Cl)c1ccccc1-c1cccc(C(F)(F)F)c1,CHEMBL4290788
+CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21,CHEMBL1911279
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OCO3)cc1,bindingdb_270563
+C[C@H](CCCOS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3558509
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1[N+](=O)[O-],CHEMBL2349056
+Cc1cc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@](C)(C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1Cl,bindingdb_653282
+C[C@]1(C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC[C@H](C(=O)O)CC1,bindingdb_654700
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_988930
+O[C@]1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21,CHEMBL3682510
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(C)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183561
+COc1cc(C)c2cc(Cc3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)n(C)c2c1,bindingdb_206712
+Cc1nnc(C(C)N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)o1,CHEMBL559581
+O=C(Nc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,bindingdb_539893
+O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,CHEMBL1782956
+CC1CN(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)CCO1,bindingdb_649674
+C=C[C@]12CCC(c3ccccc3)=CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,CHEMBL398840
+CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL2259815
+C=CCOc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1Cl,CHEMBL376264
+COc1ccccc1-c1nnc2n1N=C(c1ccc3c(c1)OCO3)CS2,bindingdb_69335
+CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(C#N)cc3)nc2C)c1,CHEMBL2397333
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)COC)cc1F,CHEMBL3588960
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CC(N)=O)c2)cc1,CHEMBL4228152
+CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21,CHEMBL188857
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCC[C@H]1C(=O)Nc1ccncc1,bindingdb_649178
+Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@H](C)C(=O)O,bindingdb_402024
+CCn1cc([C@H]2CC[C@H](CN(c3cccc(-c4cnn(C5CC5)c4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cn1,bindingdb_1018341
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCO)CCCCCC)CC[C@@H]23)C[C@H]1O,5awj
+CCSC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21,CHEMBL190104
+O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL491501
+Nc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1,CHEMBL1413020
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@@H](CC(C)(C)C#N)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651037
+Oc1cc(F)ccc1-c1csc(N2CCOCC2)n1,CHEMBL3323493
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCNC(=O)N4CC[C@H](O)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4162386
+COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_650990
+COc1ccc(OC)c(NC(=O)c2ccccc2NC(=O)c2ccco2)c1,bindingdb_292577
+CC(C)(C)c1ccc(C(=O)NCc2ccc(C=O)cc2)cc1,CHEMBL4091019
+CCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O,CHEMBL3114116
+CC(/C=C/CC1(c2cc(C(C)(C)C)cc3c2CCC3(C)C)CC1)=C\C(=O)O,CHEMBL88216
+C[C@@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL48159
+O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)cc1,CHEMBL234524
+CC1(C)OC(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL136806
+C=CCC1Oc2ccc(Cl)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL7987
+CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(CCSC(=O)CCC(=O)O)SC(=O)CCC(=O)O,CHEMBL1206113
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccn(C)n3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123932
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccc(NCCO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650601
+CC(=O)N1CC2(CCN(c3ccc(CN(CC(C)C)S(=O)(=O)Cc4ccccc4)cc3)CC2)C1,bindingdb_653937
+N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N,CHEMBL577938
+Cc1cc(C(F)(F)F)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206374
+CN(CCOc1ccc(CC(Nc2ccsc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL345541
+CCCCCCSc1ccc(C(=O)CCN2CC2C)c(Cl)c1Cl,CHEMBL559521
+Cn1cc(C2CCN(C(=O)[C@@H]3CCCS3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_646463
+O=C(Nc1ccncc1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651407
+COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1,bindingdb_1026224
+CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,bindingdb_964735
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C2CC2)n1,CHEMBL3673697
+CC(=O)Nc1ccc(OC2CC2)c(Cl)c1,CHEMBL4176087
+CCCCOC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F,CHEMBL3828133
+Cc1ccc(S(=O)(=O)N2C[C@@H](CC3(C(N)=O)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cc1,bindingdb_647729
+Cc1nn(Cc2cc3n(n2)CCC3)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12,bindingdb_168531
+CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1,CHEMBL3092204
+CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)O,DB07172
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(=O)CC[C@@H]12,CHEMBL3138083
+CCOc1ccc(-c2cccc(N(CC34CCC(c5ccc(C(F)(F)F)cn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1017504
+N#Cc1ccc(N2CCc3c(ncnc3Nc3cc(C(=O)NCC(F)(F)F)ccn3)C2)cc1C(F)(F)F,bindingdb_475853
+Cc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1,bindingdb_55560
+O=S(=O)(c1ccc(F)cc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO)C1,CHEMBL271054
+CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,CHEMBL2349044
+CC(=N)/C(C#N)=C(/O)CSc1nnc(COc2ccccc2Cl)o1,CHEMBL3198515
+Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,CHEMBL295416
+C[C@@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1,CHEMBL1669749
+CC(C)CN(c1ccc(C(O)(C#Cc2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070369
+O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1c2ccc(S(=O)(=O)CC3CC3)cc2CN1C(=O)C1CCCO1,bindingdb_649860
+O=C1NCC(C(=O)NC[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)N1,bindingdb_647362
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F,bindingdb_403728
+O=C(c1ccc2cncn2c1)N1CCC2(S(=O)(=O)c3ccc(Cl)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_646353
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1552
+COc1ncccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F,bindingdb_1004479
+CN(C)c1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1,CHEMBL2386397
+O=C(O)c1cnc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cn1,bindingdb_1018434
+CC(C)NC(=O)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL1910415
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1,bindingdb_1184053
+Cc1cccc2cc(-c3ccccc3)c(-c3ccccc3)c[n+]12,bindingdb_539822
+CC(C)(C)c1ccc(CCNC(=O)c2ccccc2)cc1,CHEMBL4206727
+O=NC1c2cc(S(=O)(=O)N3CCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21,bindingdb_760244
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,CHEMBL3315070
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNS(=O)(=O)N1CCCCC1)O2)C(F)(F)F,bindingdb_650569
+C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@@]34C=CC(=O)O4)[C@@H]21,bindingdb_430564
+C=CCn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccccc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21,CHEMBL2022866
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1,bindingdb_1054266
+CC(C)c1cccc(F)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_1018873
+Cc1cc(SC(Cc2ccc(C(F)(F)F)cc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,CHEMBL2037585
+Cn1cc(N(Cc2ccccc2)c2ccccc2[N+](=O)[O-])cc1C(=O)N1CCCC1,CHEMBL520603
+CCCC1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1,CHEMBL1542128
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@]3(C)CC[C@H](C(=O)O)CC3)C2)ccc1F,bindingdb_646725
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(C(CO)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651985
+CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)O)ccc21,CHEMBL492534
+CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)cc(F)c1)Oc1ccccc1-3,CHEMBL342190
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(OC2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_270668
+COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1,bindingdb_55698
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1,CHEMBL3105815
+CS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(C(F)(F)F)cccc4n3)cc2)c1,CHEMBL1089233
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,bindingdb_270775
+CC(C)(C)c1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CHEMBL3623104
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(N[C@@H](C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1184157
+CCOc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL3657141
+C[C@@](O)(CO)CNC(=O)C[C@@H]1CSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_651070
+Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)c1,CHEMBL3398431
+CN(N=Cc1cccnc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl,bindingdb_401267
+NC(=O)C12CCC(C(=O)N3CC[C@@]4(S(=O)(=O)c5ccc(F)cc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CC[C@@H]34)(CC1)CC2,bindingdb_646481
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Cc3cccc(Cl)c3)c(F)c2)CC1,CHEMBL3581541
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC2)C3)c(F)c1,bindingdb_648036
+CC[C@@H](C)n1c(=O)c(NCc2ccc(S(N)(=O)=O)cc2)nc2cnc(-c3c(C)nc(N)nc3C3CC3)nc21,bindingdb_648646
+CN1CCC(N2C(=O)S/C(=C\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)CC1,CHEMBL4173757
+Cn1cc(C2[C@@H]3CC[C@H]2CN(C(=O)C2CCCC2)C3)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_647573
+Cn1cc(CO)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21,bindingdb_18540
+C[C@H]1C[C@@H](F)CCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_651182
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1182752
+c1ccc(Nc2nc(-c3cccs3)cs2)nc1,bindingdb_1000156
+CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)NC2CCCC2)c1C,bindingdb_112149
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(CN2CCC(C(F)(F)F)CC2)n3CC(C)C)cc1,bindingdb_206322
+CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)CC)cc1)c1ccccc1,CHEMBL1229024
+CS(=O)(=O)Nc1ccc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_654774
+CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(-c4noc(=O)[nH]4)cc3)ccc21,CHEMBL468608
+O=C(NC1CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,bindingdb_846211
+C[C@H](Cc1ccc(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2C)c(OC(F)F)c1)C(F)(F)F,bindingdb_1183755
+Cc1nc2c(Cl)cccc2nc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,CHEMBL1093499
+COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)o2)cc1,CHEMBL1344053
+C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(N)nc1,CHEMBL379465
+CC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccccc2)C1,bindingdb_653357
+CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl,CHEMBL461012
+CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CN(CC(N)=O)C[C@@H]3N)cc2O1,bindingdb_1127386
+COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1CCl,bindingdb_356360
+O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)C(c2ccco2)C1C(=O)c1ccco1,bindingdb_988872
+Oc1cc(Cl)c([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCCC3)cc2Cl)c(Cl)c1,CHEMBL365779
+O=C(CC=Nc1cccc(F)c1)c1cccs1,bindingdb_999907
+CC(C)(O)CCNC(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_649886
+CCOC(=O)N1C[C@H](C(=O)O)[C@H](c2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1,CHEMBL3398424
+Cc1ccccc1[C@H]1C[C@@H](NCc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1,CHEMBL3086045
+COc1ccc2c(c1)-c1ccc3c(c1C(c1ccc(Cl)cc1)O2)C(C)=CC(C)(C)N3,CHEMBL107998
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3(F)COC3)c(S(C)(=N)=O)c2)cc1,bindingdb_54998
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(OCC(=O)O)CC3)c1Cl)n2C,bindingdb_206495
+COc1ccc(OCCNCCCF)c(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_401754
+C[C@]1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12,CHEMBL3084684
+CCCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1,CHEMBL1425600
+Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(C)c1,CHEMBL4059819
+CC(C)(C(=O)O)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1,CHEMBL573679
+CC1=CC(C)(C)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL93027
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccncc5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_651085
+CC(C)NC(=O)C1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1,bindingdb_54966
+CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1,CHEMBL3582336
+CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3,CHEMBL1305391
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccccc3Cl)C[C@@]21C,CHEMBL3904106
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CC[C@H]2O)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1182887
+COCCc1cn(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)nc1CCS(C)(=O)=O,bindingdb_652118
+COc1cc2c(cc1C=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2,CHEMBL2441818
+COc1ccc(CC(C)C(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,CHEMBL120456
+CC1(C)CCC(C)(C)c2cc(C(O)/C=C/c3ccc(C(=O)O)cc3)ccc21,bindingdb_1175405
+N#CCc1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1,bindingdb_649680
+CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2c(c1)OC(CC)(C(=O)O)CC2,CHEMBL111161
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)N(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017459
+Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O,CHEMBL3613422
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(OCC2(C)CC2)cc1OC,bindingdb_1184325
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5cccn5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263856
+CC(C)CN([C@H](C)c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_650571
+C/C(=N\OCCF)C(Cc1ccc(OCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O,CHEMBL230410
+C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@H](N)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1258967
+COc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1,CHEMBL2037335
+O=C(O)c1ccccc1Nc1cccc(Oc2ccccc2)c1,bindingdb_964708
+C[C@H](O)CNc1ncc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_650756
+CS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(O)c1-2,CHEMBL303813
+COCCOc1ccc(-c2ccc(CN(C(=O)CC(C)(C)C)c3nccc4cc(C(=O)OC)ccc34)cc2)cc1,bindingdb_1018074
+COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1,bindingdb_91237
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H](C)C(C)(C)O)sc1-c1cnc(NCC(C)(C)C)cc1C(F)F,bindingdb_1183738
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(OC(F)(F)F)c1)C(F)(F)F,bindingdb_645062
+Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206281
+COC1CN(C(=O)C2CCc3c(C4=C[C@H](C)[C@H](C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_646096
+COC(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)cc([N+](=O)[O-])c1,bindingdb_91300
+Cc1c2c(n(-c3ccc(CC(=O)O)cc3)c1C)CCC(F)(F)C2,CHEMBL4171515
+COc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1,bindingdb_999927
+CCCCC[C@H](O)C/C=C/[C@@H]1C[C@@H](O)[C@H]2C/C(=C/CCCC(=O)O)C[C@H]21,CHEMBL180660
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC(C)(C)CC)c1ccccc1CC2,CHEMBL3763719
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1,CHEMBL4210441
+CCC(C(=O)O)C1CCc2cc(OCCc3coc(-c4ccccc4)n3)ccc21,CHEMBL200746
+COCc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1,bindingdb_1018861
+C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)C1CC1,CHEMBL408424
+CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc(O)c2ccccc2n1,CHEMBL1464457
+Oc1ccc(Oc2ccc(O)cc2)cc1,bindingdb_403362
+CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,CHEMBL4296682
+COC1CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)c(C(F)(F)F)c4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_649168
+CCS(=O)(=O)N[C@@H]1C[C@@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3932464
+O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1,bindingdb_78774
+COc1ccc(C(=O)Nc2cnc3c(c([C@@H]4CCN(C(=O)[C@H](C)C(F)(F)F)[C@@H](C)C4)cn3C)c2C)cc1C#N,bindingdb_645559
+Cn1cnnc1C1CCN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_645241
+CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N,bindingdb_982696
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_1183247
+O=C(O)c1ccc2nc(C3(O)C4COCC3CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_846217
+C=CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(C(=O)Nc4cccnc4C)ccc3[C@H]21,CHEMBL3895181
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc([C@H](O)CCO)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646406
+O=C(O)c1ccc2c(I)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_653811
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(c3nccc(C(F)(F)F)n3)C2)c1,CHEMBL255271
+Cc1ccc(COc2c(Br)cc(CCC(=O)O)cc2Br)cc1,CHEMBL249897
+CCOc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnc2c1c(C)nn2C1CCN(C)CC1,bindingdb_18655
+CC(C)C[C@@H](c1nnnn1C)N(CC1CCC1)c1ccc(C#N)c(Cl)c1,CHEMBL560248
+Cc1cc(C#N)cc2c1cc(C(=O)c1c(Cl)ccc(C(=O)N3CCC(CC(=O)O)CC3)c1Cl)n2C,bindingdb_206210
+CC[Si](CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1,CHEMBL2334339
+Cc1ccccc1N1CCN(C(=O)NCSCc2c(C)noc2C)CC1,bindingdb_25353
+O=C(O)c1cccc(-c2noc(C34CCC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)n1,bindingdb_1018643
+COc1ccc(-c2c(C(=O)NS(C)(=O)=O)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1,CHEMBL221580
+CCN(Cc1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1)Cc1ccccn1,CHEMBL3622365
+CN(C)CCOc1ccc(/C(=C(/CCCF)c2ccccc2)c2ccc(Br)cc2)cc1,CHEMBL3991044
+CCOC(=O)CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649775
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCC(CO)C1,bindingdb_651658
+CNC(=O)c1cccc(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc4c3ccn4C)cc2)c1,CHEMBL3794390
+Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nc1Cl,bindingdb_1062530
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Sc6ccc(Cl)c(N)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,bindingdb_25305
+C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB01890
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4cccc(F)c4)c3CC[C@H]12,bindingdb_652678
+O=C1NC(=O)/C(=C/c2ccc(CNc3cccc(-c4c(C(=O)c5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cc2)S1,bindingdb_757513
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1017934
+Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c1,bindingdb_69049
+CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc2ccccc12,CHEMBL1299291
+O=C(O)c1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1,CHEMBL1813187
+[N-]=[N+]=N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_651699
+Cc1coc(-c2ccc(N3CCN(c4ncc(CO)c(C(F)(F)F)n4)[C@H](C(C)C)C3)cc2S(C)(=O)=O)n1,bindingdb_1143424
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)CC1CCS(=O)(=O)C1,bindingdb_652777
+CCCc1cc(C(=O)CC)cc(Cl)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1,CHEMBL426451
+COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)(C)C)cc1,CHEMBL3935790
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)N(C)C,bindingdb_1184132
+COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F,CHEMBL194812
+CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cn1,bindingdb_1054351
+CCC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O,CHEMBL491596
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F,bindingdb_1182893
+O=C1Nc2ccccc2SC(c2ccccc2)C1O,CHEMBL1506716
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC[C@@H](n3cnnc3)[C@@H](F)C2)cc1F,bindingdb_650767
+COc1ccc(-n2nnnc2C(c2cc3ccccc3o2)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,bindingdb_539844
+COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC,CHEMBL4077083
+C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(C#N)ccc3[nH]2)C1=O,CHEMBL3578279
+CC(C)S(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3932081
+ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl,CHEMBL195953
+Cc1cc(C)nc(N=c2ssnc2Cl)c1,bindingdb_112168
+CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,bindingdb_100114
+COc1ccc(C(O)(c2ccc3nc(OC)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)c2cncs2)cn1,bindingdb_1183417
+CNS(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648438
+O=C(Cc1ccncc1)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648954
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3Cl)cs2)cc1,CHEMBL3105798
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl,CHEMBL551816
+Cc1ccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)cc1,CHEMBL4093864
+CCOCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C,bindingdb_91271
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CC(C)C)CC[C@@H]23)C[C@@H](O)/C(=C\CCO)[C@@H]1O,CHEMBL1830168
+C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C,CHEMBL258861
+CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1,bindingdb_91307
+O=C(O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3C3CC3)c3c(F)cccc32)cc1,bindingdb_206370
+CCOc1ncc(-c2cccc(N(CC34CCC(c5nc(C(C)(C)C)no5)(CC3)CC4)C(=O)C3CC(OC)C3)c2)cn1,bindingdb_1018227
+Cc1cc(N2CCOCC2)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_206417
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12,CHEMBL1917415
+CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)cc1,CHEMBL1801012
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(OC)n1,bindingdb_654645
+CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)O)c(C)c1C,CHEMBL1760273
+O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)n(C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1,CHEMBL1642360
+CC(C)(C)c1ccc(C#Cc2cccc(-c3noc(=O)[nH]3)c2)cc1,CHEMBL468607
+COc1ccccc1C(=O)c1sc(N)nc1-c1cc(Br)cc(C(F)(F)F)c1,CHEMBL4227867
+CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1,CHEMBL356693
+O=C(NC1(C(=O)O)CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647511
+CC(C)(C)NC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_646058
+CC(C)(C)c1ccc(C#Cc2ccc(-c3noc(=O)[nH]3)cc2)cc1,CHEMBL511855
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1184158
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(N[C@@H](C(C)C)C(F)(F)F)cc1OC(F)F,bindingdb_1182761
+O=C(O)c1cc(C(F)(F)F)cn2c(C#CC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cnc12,bindingdb_1017627
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(C)ncnc4C4CC4)nc3n([C@@H]3C[C@H]4CC[C@@H]3C4)c2=O)nc1,bindingdb_652526
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2C2CCCCC2)c2ccccc12,bindingdb_650864
+C=CCSC(N)=NN=Cc1c(O)ccc2ccccc12,bindingdb_999768
+CC1(C)CC(=O)c2c(oc3cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)ccc23)C1,CHEMBL3234024
+CC(C)(C)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O,CHEMBL3613413
+COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NCc2ccco2)cc1OC,CHEMBL1309506
+COC(=O)c1ccccc1NC(=O)Cn1ccnc1,bindingdb_91230
+CN(c1ccc(C(O)(c2nccs2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070349
+CCCCCCCc1ccc(C(=O)CCN(C)C)cc1,CHEMBL561850
+C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DB00596
+CNS(=O)(=O)c1cc(N2CCN(c3ncc(C(=O)OC)c(C(F)(F)F)n3)[C@H](C(C)C)C2)ccc1F,bindingdb_1130810
+CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nnc1-c1cccs1,CHEMBL1410824
+CC1C(=O)c2cc(O)ccc2OC1c1ccc(O)cc1,CHEMBL113704
+O=C(O)c1ccc2c(c1)Oc1cnc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2,bindingdb_1018036
+Fc1ccccc1-c1nc(-c2ccccc2)no1,bindingdb_1000375
+COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(C)=O,bindingdb_356316
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCC(N)=O)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648291
+C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)S/C1=N/c1nccs1,CHEMBL3194979
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(OC)c1OCC(F)(F)F,bindingdb_653023
+Cc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccc(C)o4)C3c3ccco3)sc2c1,bindingdb_598200
+COCCCN(C)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1143244
+NC(=O)Cc1c[nH]c2cccc(O)c12,CHEMBL1522203
+COc1ccc(N2Cc3cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3C2=O)cc1,CHEMBL1522300
+O=C(O)c1cc(F)c2nc(N3C4CCC3CC(OC(=O)c3c(-c5c(Cl)cccc5OC(F)F)noc3C3CC3)C4)sc2c1,bindingdb_1017918
+O=C(O)C1CC=C(c2cn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC1,bindingdb_647269
+COC(=O)c1c(-c2ccncc2)csc1NC(=O)c1ccoc1C,CHEMBL1559853
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CCOCC2)cc1F,bindingdb_1017612
+Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2,bindingdb_961317
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CN(C)C(C)(C)C)c(C(F)(F)F)n1,bindingdb_1131050
+CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1,CHEMBL3092202
+CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1,CHEMBL1377070
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3cccc(F)c3)s2)cc1,CHEMBL3105685
+CC(C)(COc1ncc(Nc2ncnc3c2CCN(c2ccc(C#N)c(C(F)(F)F)c2)C3)cc1F)n1ccnn1,bindingdb_476043
+COC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,CHEMBL205137
+C=Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2,CHEMBL250300
+Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4cccc5ccccc45)C[C@@H]2[S+]3[O-])ccc1O,CHEMBL2029370
+CCCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C,CHEMBL4165384
+COC1CN(C(=O)C2CCc3c(C4=CCC(C)(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_646699
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@]4(O)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_650027
+C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,CHEMBL135236
+Fc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1,bindingdb_650199
+CC(C)(OC(=O)Nc1cc(F)c2c(c1)N(S(=O)(=O)c1cncc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_650229
+Cc1cc(-c2ccc3c(-c4ccc(C(=O)O)cc4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)cs1,bindingdb_55100
+Cn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21,CHEMBL1579787
+Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1,CHEMBL1577184
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)[C@@H](C)N(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_206321
+CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1,bindingdb_1696
+CC(C)(C)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1,CHEMBL4250128
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)N4CCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018821
+Cc1ccc(C)n1Cc1ccc(C(=O)O)cc1,CHEMBL408994
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CCCCC(=O)OC)cc3)C[C@@]21C,CHEMBL454224
+N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)c(Cl)c12,CHEMBL191238
+C[C@H](O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2c2ccc(F)cc2)nc1C(F)(F)F,bindingdb_1143377
+CC1(C(=O)Nc2nccs2)CC2(Br)c3ccccc3C1c1ccccc12,CHEMBL474188
+COC(=O)N(CC(=O)O)Cc1cc(F)cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1,CHEMBL3827335
+C[C@H](C[C@H]1CN(S(=O)(=O)c2cncc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648588
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cccc(C#N)c2)cc1,CHEMBL3086013
+Cc1c(N2C(=O)N(c3ccc(-c4cccnc4)cc3)C(C)(C)C2=O)ccc(C#N)c1C(F)(F)F,bindingdb_511763
+CCCC(=O)Oc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1,CHEMBL3775375
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OC[C@@H](O)C[C@@H](O)CC(=O)O)cc2)cc1,CHEMBL181759
+C/N=C1/SC(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C,bindingdb_831372
+CCCc1nc2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4090484
+CO[C@@H](Cc1ccc(OCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O,CHEMBL363532
+Cc1nc2ncc(-c3cccc(N(CC45CCC(c6nc(C(C)(C)C)no6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1018827
+C[C@]1(c2ccc(F)cc2)CN(C(=O)Cc2ccc(C#N)cc2)C[C@H]1c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648268
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL390644
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)cc1,bindingdb_206457
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC(C)(C)O,bindingdb_647169
+CCc1cn(CCN)c(CC)c1Oc1ccc(C#N)cc1,CHEMBL1083362
+CC(C)(O)CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21,bindingdb_1054366
+CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cn1,CHEMBL3361041
+CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)c(F)c1,bindingdb_1018192
+CN1CCN(CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)CC1,CHEMBL1564651
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c(CC)c1Cl,CHEMBL3640830
+Cc1ccc(CCNS(=O)(=O)c2c[nH]cn2)cc1,CHEMBL1359987
+CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)NS(C)(=O)=O,CHEMBL2153834
+CN(C1CCCC1)S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649505
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(OC(F)(F)F)c1,CHEMBL222165
+CS(=O)(=O)Oc1ccc(CCSC(=O)c2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1,bindingdb_1003872
+O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](N1CCCC1=O)C2)c1c(Cl)cccc1Cl,bindingdb_998308
+O=Cc1ccc2c(sc3nc4n(c(=O)c32)CCCCC4)c1Sc1ccccc1,CHEMBL584092
+O=C(CO)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653196
+Cc1ccc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)cn1,bindingdb_646902
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3,CHEMBL313418
+Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C,CHEMBL1432915
+Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1,CHEMBL1384049
+COc1ccc2c(c1)c(Oc1cccc(C(F)(F)F)c1)c(C(=O)O)n2-c1ccc(C(C)(C)C)cc1,CHEMBL197671
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640837
+CC(=O)CC1=C(NCc2ccccc2)C(Br)C(=O)O1,bindingdb_69003
+CCc1cc(O)c2ccccc2n1,5g46
+CN(C)C(=O)c1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846243
+CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)C[C@H]1O,bindingdb_988935
+CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1C,CHEMBL1307301
+CCC12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,CHEMBL441537
+Cc1c(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)nn(CC(C)(C)O)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183734
+Cc1nc(-c2ccc(Cl)cc2)sc1/C=C/C1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934472
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F,bindingdb_645944
+Fc1ccc(F)c(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1,bindingdb_652050
+CN(C)c1ccc(C2c3nnnn3CCN2Cc2ccccc2F)cc1,bindingdb_652692
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCc2nn(Cc3ccncc3)cc2C1,bindingdb_651838
+O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(NC(=O)c2ccco2)c1,CHEMBL1565187
+Clc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1,bindingdb_539974
+Cc1nc(C)c(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1,bindingdb_650933
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271113
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1184234
+CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)N(CC)CC)cc21,CHEMBL3764538
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)n1,bindingdb_403040
+CCc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc12,CHEMBL206500
+COc1cccc(-c2nc3ccccc3s2)c1,bindingdb_1000101
+COC(=O)N1CC[C@H](N(Cc2cc(F)ccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL591327
+CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(C)C)cc3)oc2C)c1)C(=O)O,CHEMBL387023
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCNCCCF)cc2F)N1CC(F)(F)CO,bindingdb_403593
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1,CHEMBL560172
+C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238274
+O=C(/C=C\c1cccs1)c1c(O)ccc2ccc(=O)oc12,bindingdb_958596
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1184357
+CC1(C)CN(Cc2noc(-c3ccccc3)n2)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1830954
+O=C(O)c1cccc(NC(=O)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc(-c4ccccc4)cc3)cc2Cl)c1,CHEMBL234747
+O=C(O)C1Nc2c(cccc2[N+](=O)[O-])C2C=CCC12,CHEMBL1556434
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OCC(F)F)n1,bindingdb_646416
+Cc1cc(OCc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1075725
+Oc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1,CHEMBL1526851
+Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2(C)O,CHEMBL1209231
+CCC1=C(c2ccc(O)cc2)C(C(=O)O)c2cc(O)ccc21,CHEMBL370609
+COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SCC2,CHEMBL1456029
+Cc1ccc(-n2nc3c(=O)n(C(C)C(=O)NCCC4=CCCCC4)nc(C)c3c2C)cc1,bindingdb_539807
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1F,bindingdb_1184257
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(C(C)O)CC3)c1Cl)n2C,bindingdb_206461
+COC(=O)CC(NC(=O)c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)[C@H]2C(C)C)c1ccc(Br)cc1,bindingdb_1127433
+CC(N=Nc1nc2c(s1)CCCC2)c1ccccc1,bindingdb_999638
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(Cl)c(Cl)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_651281
+C[C@@H]1C[C@@H]([C@@H](O)C(C)(C)O)O[C@H]2C[C@@]3(C)C(=C12)C=C[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C,CHEMBL3632956
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OCC(C)(C)C)ccc2O1,bindingdb_648442
+CC[C@@H](O)Cn1ccc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_651363
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@H]1CC(=O)N(CCCO)C1,bindingdb_647546
+CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc21,CHEMBL3764283
+CCCCCC1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21,CHEMBL442744
+CC12CC3CC(C)(C1)CC(c1cc(-c4ccc(/C=C/C(=O)O)cc4Cl)ccc1O)(C3)C2,CHEMBL461415
+O=C(NCc1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1,CHEMBL3678087
+CC1COc2ncc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_998159
+CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3(C)COC3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,bindingdb_168576
+COc1ccc(NC(c2ccccc2Cl)c2c(C)[nH]c3cc(C)ccc23)cc1OC,CHEMBL3109599
+CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)o1,bindingdb_647823
+O=C(O)C1CCCC(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC23)C1,bindingdb_646924
+N#Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Br)s3)CCCC2)cc1,CHEMBL211483
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1,bindingdb_206437
+CS(=O)(=O)Nc1ncc(-c2cncc([C@]34CC[C@H](C3)c3cc(-c5c(F)cccc5F)nnc34)n2)cn1,bindingdb_653664
+CC(C)[C@H]1c2ncc(C(=O)NCCCS(=O)(=O)c3ccccc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_1127503
+C=CC(C)(C)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL297850
+Cc1cccc(S(=O)(=O)NC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)n1,bindingdb_648432
+COCC(=O)N1CCN(C2CCC(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_653034
+Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3)C[C@@H]1[S+]2[O-],CHEMBL2031518
+CCn1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)O)c(OC)c2)cc1-c1ccc(C(C)(C)C)cc1,CHEMBL516511
+C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1,CHEMBL1253831
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cc(C)no1,bindingdb_649375
+C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1,CHEMBL192859
+C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(=O)CC#N)C2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_648099
+COc1ccccc1-c1ccc2c(c1)C(C(C)OCC=C(C)C)=CC(C)(C)N2,CHEMBL394343
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C(CO)C2CCN(C)C2=O)cc1F,bindingdb_649719
+O=C(NCC1CCS(=O)(=O)CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652617
+Cc1c(O)ccc2c1OCCC(c1ccc3c(c1)CCN3)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401591
+O=C1N(Cc2ccncc2)c2ccc(Br)cc2C12CCN(S(=O)(=O)c1cccs1)CC2,bindingdb_80776
+O=C(O)CN1C(=O)CC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(I)cc3CCC12,bindingdb_645755
+O=C(C1CCOCC1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_650876
+CCC(Oc1cccc(CN(CCCOc2ccc(F)cc2F)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL246282
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCN(C)CC3)cc2/C1=[N+](/C)[O-],CHEMBL401841
+CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1,bindingdb_112124
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(c2nccc(C(F)(F)F)n2)[C@H]3C(C)C)cc1,bindingdb_270713
+Cn1nnnc1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650578
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_270721
+C[C@H](CF)CN1[C@H](c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CC1(C)C,CHEMBL3775833
+Cc1cc2nn(-c3ccc(F)cc3)nc2cc1N,bindingdb_999680
+CC(=O)Nc1ccn2ncc(C(=O)Nc3cc4c(cc3N(C)C)C(=O)N(C[C@@H](F)C(C)(C)O)C4)c2n1,bindingdb_1127530
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@H](C)C(C)(C)O)sc1-c1cnc(N[C@H](C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1183785
+C[C@H]1CN(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC[C@@H]1n1cnnc1,bindingdb_646703
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCC3)nc2CC2CCCCC2)c(OC(F)(F)F)c1,bindingdb_645485
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ncc(C(C)(C)O)cn1,bindingdb_652301
+CC1(C)[C@@H](NC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC[C@@]1(C)N,bindingdb_653638
+CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,CHEMBL3706928
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(Cl)c3)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640855
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(NCC(N)=O)c2)c(C)c1,CHEMBL1668079
+CC1=C(c2ccc(F)cc2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4167152
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3ccccc3C(F)(F)F)noc2C2CC2)c(F)c1,bindingdb_1018578
+CCS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCO1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_651949
+CC(O)(C[S+]([O-])c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,CHEMBL220503
+CCOc1cccc(Oc2c(C(=O)O)n(-c3ccc(C(C)(C)C)cc3)c3ccccc23)c1,CHEMBL372107
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C3CCNCC3)cc2)cc1,CHEMBL125119
+CC(=O)N1CCN(c2ccc(CN(C)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317846
+COc1ncc(C(=O)O)cc1C#CC12CCC(OCc3c(-c4c(Cl)cncc4Cl)noc3C3CC3)(CC1)CC2,bindingdb_1019115
+CC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@H]2C(C)C)nc1C(F)(F)F,bindingdb_1131083
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL286595
+CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2Cl)C3)cc2ccccc21,bindingdb_1000253
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3cccc(C#N)c3)cs2)cc1,CHEMBL4159082
+CCCc1cc(C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCCn1ccc2c(OC(C)(C)C(=O)O)cccc21,CHEMBL444175
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)C(F)(F)F)cc1OC,bindingdb_1183714
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(O)c(C(F)(F)F)n1,bindingdb_1130788
+CN(C)C(=O)Cc1ccc(/C=C/C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)cc1,bindingdb_1017388
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN([C@@H](CO)C(N)=O)C[C@H]2O)c1F,bindingdb_988822
+COc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1,bindingdb_17644
+CC(C)(O)C[C@H]1NC(=O)N([C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1=O,bindingdb_651936
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](Cn2nccn2)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_646371
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183914
+Cc1cn(Cc2ccc(O)c(C(C)(C)C)c2)c2ccc(OCC(=O)O)cc12,CHEMBL3397342
+O=C1[C@@H]2[C@H]3CC[C@H](CC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,DB04709
+CC(C)c1cc(-c2nc(-c3ccccc3F)c3c(n2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)c2ccccc2n1,bindingdb_652139
+O=C(c1ccc(Br)cc1)N1CCCC(c2ccc(Cl)cc2)=N1,CHEMBL146060
+CCC(c1ccc(O)c(O)c1)C(CC)c1ccc(O)c(O)c1,CHEMBL14702
+COc1ccc(C2c3nnnn3CCN2Cc2ccccc2)cc1,bindingdb_649800
+Cn1c(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,CHEMBL497122
+NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1,bindingdb_1703
+O=C(NCc1ccncc1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NC[C@@H]12,bindingdb_652254
+CCn1nc(C(=O)NC[C@H]2CC[C@H](N[SH](=O)=O)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183204
+Cc1nc(C(F)(F)F)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1-n1nncc1Cc1cccc(Cl)c1,CHEMBL3342786
+CS(=O)(=O)c1ccc(C#CC(O)(c2ccc(N(CC3CCC3)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070465
+CCS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2,CHEMBL65444
+CCOc1ccc(NC2=NN=C(c3cc(C)n(CC4CCCO4)c3C)CS2)cc1,bindingdb_112217
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(-c4nnn(C)n4)cc2)[C@H]3C(C)C)cc1,bindingdb_270995
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H](CC(=O)N1CCOC1)O2,bindingdb_645187
+COc1ccc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)cn1,bindingdb_646222
+O=C1C2CC=C(Cl)CC2C(=O)N1CCCCCCN1C(=O)C2CC=C(Cl)CC2C1=O,CHEMBL1522044
+Cc1cc(C)nc(N2CCN(c3ccc(C(=O)c4c(-c5ccc(O)cc5)sc5cc(O)ccc45)cc3)CC2)n1,CHEMBL182237
+O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nnc(-n3cccc3)s2)CC1,CHEMBL1412556
+O=c1[nH]cnc2cc(-c3ccccc3)sc12,bindingdb_999982
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)NC(C)C)c1,CHEMBL4160533
+CCOc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1,CHEMBL1085110
+O=S(=O)(Nc1ccc2ncn(Cc3ccccc3)c2c1)c1ccccc1Cl,CHEMBL457297
+Clc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,bindingdb_760379
+CC(C)[C@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1C[C@H]1CC[C@H](C(F)(F)F)OC1,bindingdb_1130893
+COc1ccc(C(N)=S)c(OC)c1,bindingdb_999895
+Fc1cccc(CN2CCn3nnnc3C2c2cccs2)c1F,bindingdb_648678
+CCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1,bindingdb_1018181
+CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(F)cc2)cc1)C(=O)O,CHEMBL315048
+Cc1ccc2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2n1,CHEMBL1597519
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(Cl)c3)c(C(=O)c3ccccc3F)s2)cc1,CHEMBL3105670
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(C)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183977
+CC(F)(F)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cc5)c4)(CC2)CC3)no1,bindingdb_1018526
+COC(=O)c1ccc(-c2noc(C34CCC(C=Cc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1018531
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](c3cccc(C(C)C)c3)C(F)(F)F)cc12,CHEMBL3736263
+Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)O)cc1,CHEMBL264385
+Cc1nc2ccc(-c3ccnc(N(CC45CCC(c6noc(C(C)(C)C)n6)(CC4)CC5)C(=O)C45CC(F)(C4)C5)c3)cc2s1,bindingdb_1018697
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183185
+CC(NC(=O)c1c[nH]cn1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_653667
+Cc1c(S(=O)(=O)NC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3cc(NC(=O)OC(C)(C)C(F)(F)F)ccc3O2)cnn1C(F)F,bindingdb_650662
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CC2C)c(Cl)c1,CHEMBL561573
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)O)c2)c1,CHEMBL549310
+CC(C)[C@@H]1CN(c2ccc(C#N)c(S(C)(=O)=O)c2)CCN1c1ncc([C@@H](C)O)c(C(F)(F)F)n1,bindingdb_1143272
+CCCC(c1nncn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL562509
+COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126834
+CC(C)CNC(=O)c1c(N)n(N=Cc2ccccn2)c2nc3ccccc3nc12,bindingdb_401167
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCc1nnn[nH]1,CHEMBL1099158
+C[C@H](NC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O,bindingdb_1183239
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCOc1ccc(-c2cccnc2)cc1,bindingdb_511796
+Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1,bindingdb_91240
+CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1,CHEMBL4072533
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(C)(=O)=O)n3)c1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652599
+Cc1cccc2c1/C(=C/c1c(Cl)cccc1C1CC1)C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_206422
+COc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1,CHEMBL1449110
+NC(=O)CN1CCC(O)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)CC1,bindingdb_988973
+CC(C)(CO)C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647532
+CC(C)(Oc1ccc(OCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL203940
+CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL403214
+O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCC1CCCO1,CHEMBL1341487
+Cc1nc[nH]c1CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1,bindingdb_1127353
+COc1cc(CNC(=O)C2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)O2)cc(OC)c1,CHEMBL2407658
+C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)NCC45CC6CC(CC(C6)C4)C5)CCC[C@@]23C)C1,CHEMBL521375
+O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CCC(F)(C(=O)O)CC2)c2ccccn12,bindingdb_998394
+CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)NO,bindingdb_88910
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)(F)F,bindingdb_1183297
+CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1,CHEMBL215126
+Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O,CHEMBL4240310
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)F,bindingdb_1183986
+O=C(O)C1CCC(C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC3C2)C1,bindingdb_649473
+COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1,bindingdb_1183256
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCNC3)c(F)c1,bindingdb_647081
+CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1,CHEMBL1494365
+CN(C)c1ccc2c(=O)c3ccccc3oc2n1,bindingdb_999558
+CN(C)C(=O)c1ccc2c(N3CC[C@@H](C(=O)O)[C@H](O)C3)nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1,bindingdb_998271
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCc4ccc(C(=O)O)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019105
+O=S(=O)(Cc1ccccc1)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1086484
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccc(F)c1,CHEMBL3617306
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CCC(C)(C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12,CHEMBL4129009
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](C[C@@H](C(=O)O)C1CC1)O2)C(F)(F)F,bindingdb_648577
+CC(C)(Sc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)O,CHEMBL250888
+CCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1,CHEMBL4239055
+COc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1,CHEMBL4169731
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNC(=O)[C@H]2C[C@@H]2C#N)[C@H]1C,bindingdb_645531
+Cc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C,bindingdb_999554
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CC2)C1=O,CHEMBL2407852
+CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(O)cc2)c1)C(=O)O,CHEMBL488991
+Cc1ccccc1Oc1ccc(CN(Cc2cc(F)cc(F)c2)c2c(Br)cc(CC(=O)O)cc2Br)cc1,CHEMBL2087294
+CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2cccc(C)c21,CHEMBL3289660
+COc1ccccc1C1(C)SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F,CHEMBL243275
+Cc1c(N2C(NC#N)N3CC[C@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl,CHEMBL482549
+O=C(O)c1cc(C(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018537
+C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1,CHEMBL109638
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cn(C(F)F)nc1OCCO)C[C@H](CNC(=O)C1COC1)O2)C(F)(F)F,bindingdb_645237
+Cc1cccc(OCCCOc2ccc(SCC(=O)O)cc2)c1C,CHEMBL562786
+CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C)n1,bindingdb_402600
+CCSc1nc(O)c2cnn(-c3ccc(C)cc3)c2n1,CHEMBL1531388
+Cc1ccc(N2CCN(C(=O)CSCc3c(C)noc3C)CC2)cc1,bindingdb_25313
+C#C[C@]1(O)CCC2C3CC[C@H]4Cc5oc(S(C)(=O)=O)nc5C[C@]4(C)C3CC[C@@]21C,CHEMBL296957
+CCn1cc(S(=O)(=O)N2C[C@H](CC(C)(C)C#N)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_648660
+NC(=O)CN1CC[C@](O)(CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3F)C3CC3)c2F)[C@@H](O)C1,bindingdb_988906
+COC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O,CHEMBL1830786
+Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1C1CC1,bindingdb_112230
+CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,CHEMBL550768
+CC(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ccc(NS(C)(=O)=O)cc5)c4)(CC2)CC3)n1,bindingdb_1018153
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CC(F)(F)C2)c2ccccc12)C(F)(F)F,bindingdb_645863
+CNC(=O)c1cccc(CC[C@]2(O)CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)c1,CHEMBL2147554
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1183695
+O=C(c1ccccc1)c1cnc2c(C(F)(F)F)ccc(-c3cccc(OCc4ccc(C(Cc5ccccc5)C(=O)O)cc4)c3)c2c1,CHEMBL253398
+N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccccc1F,bindingdb_672669
+Cc1cccc(CN2CCN(c3cc(Oc4ccc(CC(C)(Oc5ccccc5)C(=O)O)cc4)nc(N)n3)CC2)c1,CHEMBL554364
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(c5ccc(Cl)cc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4211166
+Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12,bindingdb_401016
+N#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)c2ccccc12,CHEMBL570237
+CCc1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1183855
+C[C@]1(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC[C@H](C(=O)O)CC1,bindingdb_652811
+COc1cc(C#N)ccc1OC[C@](C)(O)C(=O)N1CCc2c(C#N)cccc21,CHEMBL3238293
+O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCOCC2)C1,CHEMBL257461
+Cc1nc(S(=O)(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)[nH]c1C,bindingdb_647231
+Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678116
+CCCCC(Cc1ccc(OCCCOc2cccc(C)c2C)cc1)C(=O)O,CHEMBL559752
+Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4Cl)no3)cc12,bindingdb_965510
+CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1,CHEMBL206445
+CNC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464436
+CC(C)CN(C)S(=O)(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_648740
+CCc1ccc2c(c1)C(c1ccc(OCCN3CCOCC3)cc1)Cc1cc(O)cc(C)c1-2,CHEMBL3815076
+O=C(NC(=S)Nc1ccc(F)c(Cl)c1)C1CC1,bindingdb_958520
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3sc(C(=O)O)cc3n2)cc1,CHEMBL1835050
+O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CHEMBL4105267
+O=C(O)c1ccc2c(c1)CCCC(c1ccc(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)nc1,bindingdb_403959
+Cn1nnnc1-c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1,bindingdb_1054357
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccncc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018243
+COc1cc(C#N)ccc1CNc1nc2cnc(-c3c(C)ncnc3C3CC3)nc2n([C@@H](C)C2CC2)c1=O,bindingdb_654237
+CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2C#N)CC1,bindingdb_655049
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C3CCCCC3)C(F)(F)C(F)(F)F)ccc2O1,bindingdb_645473
+Cc1c(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)cnn1C,bindingdb_650473
+CCCCCCSc1cc(C)c(C(=O)CCN2CC2C)c(C)c1,CHEMBL572342
+Fc1ccc(CSc2ncnc3c2oc2ccccc23)cc1,CHEMBL1405769
+Oc1ccc2oc(-c3cccc(O)c3O)nc2c1,CHEMBL186073
+COCC(F)(F)CN1[C@H](c2c(F)cc(OCCNCCCF)cc2F)c2[nH]c3ccccc3c2C[C@H]1C,bindingdb_403598
+CN(Cc1ccc(Br)o1)C(=O)c1cc2ccc(F)cc2[nH]1,CHEMBL3318054
+Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934478
+CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1,CHEMBL100617
+CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1,CHEMBL517181
+O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)NCC(F)(F)F,CHEMBL4091563
+CC1(C)C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cc(CF)nc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652895
+Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC2CN(CCCF)C2)cc1,bindingdb_961195
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2cc(NC(=O)OCC3(C(F)(F)F)CC3)ccc2O1,bindingdb_647104
+CCC/C=C(\CCC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL385911
+O=C(/C=C/c1ccccc1)N1CCC(c2ccccc2)C1,bindingdb_1000276
+CN(C)C(=O)N1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_650207
+CCCCCCOc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,CHEMBL538961
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3c(O)cccc3C2)c1,CHEMBL484466
+COc1ccc(C(=C(Cl)Cl)c2ccc(OC)cc2)cc1,CHEMBL194906
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCOC4(CC4)C2)C3)c(F)c1,bindingdb_650227
+CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1,CHEMBL3361052
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)o2)[C@H](C)O)c2ccsc12,CHEMBL3640879
+Oc1cccc(-c2cc3ccc(O)cc3s2)c1,bindingdb_404124
+Oc1ccc2c(c1)C(c1ccc(O[C@H]3CCN(CCCF)C3)cc1)=C(C1=CCOCC1)CC2,bindingdb_404031
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1,CHEMBL231807
+O=C(N1CCC(C(=O)O)(C(F)(F)F)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645320
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648461
+Cc1cc(OC=O)cnc1N1CC(O)(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C1,bindingdb_1018990
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc([C@H]2C[C@H]2C#N)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_1127480
+COc1cc(C(F)(F)F)ccc1CN(c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F)C1CC1,bindingdb_100375
+CC(=O)N1CCC(n2cc3c(n2)CC[C@@](c2ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C3)CC1,bindingdb_651161
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(c1)CN(c1cccc(C(=O)O)c1)C2=O,CHEMBL564917
+C=Cc1cc(S(=O)(=O)[C@@H]2CN(C(=O)N3CCN(C(C)=O)CC3)C[C@H]2c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)ccc1F,bindingdb_647768
+COc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CHEMBL3623097
+Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCCN(c2ccc(C(=O)O)cc2)C1,CHEMBL1934475
+O=C(Nc1cc2c(cc1N1CCOCC1)N(CCO)C(=O)CC2)c1cnn2cccnc12,bindingdb_1127475
+FC(F)(F)c1cccc(COc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc34)c2)c1,CHEMBL564506
+O=C(CCN1CCc2ccccc21)c1ccc2c(c1)OCCO2,CHEMBL1616708
+Cc1ccc(/C(=C(\CCCO)c2cccc(F)c2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3990706
+O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1,bindingdb_1004904
+CCOC(=O)[C@@H]1CCC(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CC(C)(O)C2)C3)=C[C@@H]1C,bindingdb_652564
+CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CCS2)=C\C(=O)O,CHEMBL34292
+Fc1cccc(C2c3nnnn3CCN2Cc2cc(F)ccc2F)c1,bindingdb_649084
+CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@@H](C)N3CC[C@H](C)C3)cc2)Oc2ccc(O)cc21,CHEMBL4174789
+CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccn[nH]1,bindingdb_650909
+Cc1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C#N)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_648525
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Br)n3c2CCCC3)cc1O,bindingdb_998238
+COC(=O)N(CC(=O)O)Cc1ccc(F)c(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1,CHEMBL3828232
+O=C(COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F)Nc1ccccc1Cl,bindingdb_653419
+COc1cc(CC(C)C(F)(F)F)ccc1-c1c(Cl)c(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)nn1CCO,bindingdb_1184398
+CC(C)Oc1ccc(CN2CCn3nnnc3C2c2ccc(N(C)C)cc2)cc1,bindingdb_651079
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)[C@@H]3C[C@@H]3F)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC(F)F)n1,bindingdb_648013
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1Cc1nnn[nH]1,CHEMBL4165363
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)cc1,bindingdb_511729
+CC(C)(C)c1ccc(C(=O)NCc2cccc(C(=O)O)c2)cc1,CHEMBL4078618
+CN(C)CCOc1ccc(/C(=C(/CCCCO)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL383533
+O=C(O)c1ccc2c(c1)C1(CC1)c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1CC2,bindingdb_1018636
+CCc1ccc(-c2csc3ncn(CC)c(=O)c23)cc1,bindingdb_672370
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCC1,bindingdb_539976
+CCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21,CHEMBL184313
+CC(C)(N)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_646060
+Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL375761
+Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F,CHEMBL3358929
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2cncn2)cc1,bindingdb_100345
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1c(F)cccc1F,CHEMBL1592140
+Cc1cc(SCc2csnc2-c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O,CHEMBL428255
+CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1CC1CCC(C(F)(F)F)N(C)C1,bindingdb_1130860
+CC[C@@H](CC(F)(F)F)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)nn2CC)cn1,bindingdb_1183141
+C#Cc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1,CHEMBL456529
+CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12,bindingdb_292547
+Cc1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1,bindingdb_539917
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(C)(=O)=O)O2)C(F)(F)F,bindingdb_653268
+CN(C)Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,CHEMBL247879
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(C)c4ccc(C(=O)O)cc4)cc3)C[C@@]21C,CHEMBL389546
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1184072
+C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1,CHEMBL2385733
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NCCCC(F)(F)F)cc1OC,bindingdb_1182719
+C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(CCO)n[nH]1,bindingdb_476060
+CCCC(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL2203822
+COC(=O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CC[C@H](C(=O)O)C3)CC1,bindingdb_653071
+O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1,CHEMBL583300
+Cc1c(NC(=O)c2cc(O)cc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3CCCC3)CC1)cn2C,bindingdb_645381
+CCC(NC(=O)c1ccc2c(ccn2CCc2cccc(Cl)c2)c1)c1ccccc1,CHEMBL3678100
+CCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL390071
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(CO)cc3)o2)[C@@H](C)O)c(C)c1Cl,CHEMBL3640910
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12,CHEMBL1917249
+CNCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3990068
+CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC2CO2)c(C)c1,CHEMBL2334341
+CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(Cl)cc1)c1ccccc1,CHEMBL1825118
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CC[C@H](C(=O)O)[C@@H](C)C3)c1Cl)n2C,bindingdb_206662
+Cn1cc(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)ccc1=O,bindingdb_651195
+O=C(O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3C3CC3)c3c(-c4ccccc4)cccc32)cc1,bindingdb_649666
+Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C,CHEMBL1916248
+Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)n1,CHEMBL4164828
+Cn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F,CHEMBL2178796
+CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,CHEMBL2398722
+COc1ccc(C(=O)c2c(C)n(Cc3ccc(F)c(O[C@@H](C)C(=O)O)c3)c3nc(OC)ccc23)cc1,CHEMBL460072
+CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1,CHEMBL2338475
+Cc1cccc2cc3c(nc12)S/C(=N\CC1CCCO1)N(Cc1ccco1)C3,bindingdb_760297
+CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL200781
+CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc3nc(N4C5CC[C@H]4CC(OCc4c(-c6c(Cl)cccc6Cl)noc4C4CC4)C5)sc3c2)cc1,bindingdb_263818
+O=S(=O)(c1ccc(F)cc1)[C@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CC[C@@H](O)C1,bindingdb_649389
+COc1ccc(C(CC(=O)N2CC(C)CC(C)C2)c2c(O)cc(OC)cc2OC)cc1,CHEMBL2312126
+Cc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1,CHEMBL549375
+O=S(=O)(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)c(Cl)c2)CC1c1ccccc1,CHEMBL190900
+N#Cc1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F,DB13934
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(C[C@H]2CC[C@@](C)(OC)CC2)[C@@H]3C(C)C)nc1,bindingdb_270854
+COc1ccc(C2(C)NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)cc1OC,bindingdb_1779
+N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccncc3)nc2)c1,bindingdb_598476
+CCCOC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL389769
+O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cc(F)ccc2F)O1,CHEMBL3804846
+CCC(Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)C(=O)O,CHEMBL3764891
+O=C(N(CC12CCC(c3ccc(C(F)(F)F)cn3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2,bindingdb_1017685
+CC(C)(C)COC(=O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@@H](N1CCCC1=O)C2,bindingdb_646259
+CCC(Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(=O)O,CHEMBL245865
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(F)n1-c1ccc(CCC(F)(F)F)cc1OC,bindingdb_1182884
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC3C2)CC1,bindingdb_649841
+Cc1nn(Cc2ccc(C(=O)Nc3nc4c(C)cccc4s3)o2)c(C)c1Br,CHEMBL1450825
+C[C@](O)(Cn1ccc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_115939
+Cc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,CHEMBL2022405
+Oc1ccc2nc(-c3ccc(O)c(Cl)c3)oc2c1,CHEMBL188410
+CCOC(=O)CNC(=O)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645677
+CNC(=O)CCc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1,CHEMBL234594
+CC(C)[C@H]1c2ncc(C(=O)NCC(O)c3ccc(C(F)(F)F)cc3)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123984
+Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,CHEMBL1075894
+CN1C(=O)[C@@H](F)C[C@H]1C(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_654693
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCCCC3)c3cccnc23)c(F)c1,bindingdb_654808
+Cc1ccc(S(=O)(=O)C23CCN(C(=O)[C@]4(C)CC[C@@H](C(=O)O)CC4)C2COc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_650492
+CC1=CC(C)(C)Nc2ccc(-c3sccc3C)cc21,CHEMBL133794
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)CC1CC1)O2)C(F)(F)F,bindingdb_649859
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1,CHEMBL1917254
+Cc1c(N2C(=O)NC(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511757
+C=CCOC(CCC)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228661
+Cc1cc(C#N)nn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)nc12,bindingdb_647262
+CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCOc1ccc(-c2ccncc2)cc1Cl,bindingdb_511712
+CCC(C)n1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,bindingdb_107861
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C#N)c(Cl)c2)[C@@H]3C(C)C)nc1,bindingdb_270792
+CCCc1nc2c(C(=O)NCCO)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4293061
+O=C([O-])Cc1c[nH]c2ccc(O)cc12,bindingdb_972711
+Clc1cccc(Cl)c1Oc1n[nH]c2ccccc12,CHEMBL3982499
+Cc1cc(C)nc(Nc2nc(-c3ccccc3)cs2)n1,bindingdb_1000272
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CN1CCCC1=O)O2,bindingdb_646278
+CC(C)(C(=O)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)c1ccncc1,bindingdb_645971
+CCc1nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc2n1Cc1cccc2c1OC(F)(F)O2,bindingdb_271071
+CC[C@]1(C(=O)N2CC[C@](c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(C)c(F)c3)C2)CC[C@H](C(=O)O)CC1,bindingdb_652838
+N#Cc1cccc(Cl)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2,CHEMBL3596274
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C)[C@@H]3Cc2ccccc2)cc1,bindingdb_1127611
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2nc(C)sc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646319
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CHEMBL672
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC(C)(C)C)c1ccccc1CC2,CHEMBL3764013
+O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N1,CHEMBL3754507
+CCOC(=O)CC[C@H]1CN(S(=O)(=O)c2c(OC)nn(C)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_652645
+O=C(CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(F)cccc3Cl)noc2C2CC2)c(F)c1)NS(=O)(=O)C1CCOCC1,bindingdb_1017633
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_648317
+COc1ccc(-n2nccc2-c2ccnc(NC(N)=O)c2)cc1,CHEMBL3643662
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCN(C)C3CCCCC3)cc2/C1=[N+](/C)[O-],CHEMBL429661
+O=S(=O)(c1ccc(Br)s1)N1CCCCC(c2cccc(Br)c2)=N1,CHEMBL379276
+CC(C)Oc1cc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cnn6C)noc5C5CC5)(CC3)CC4)n2)cc(C(=O)O)n1,bindingdb_1019005
+C=CC(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_650535
+CCN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl,bindingdb_1183415
+O=C(O)CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646229
+Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3)cc21,CHEMBL4302907
+COc1cc(NCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F,bindingdb_403831
+Cn1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCC(F)(F)C3)c2)cc1C1CC1,bindingdb_1018785
+O=C(NS(=O)(=O)C1CC1)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018864
+Cn1c(=O)cc2c3c(c(Nc4ccc(C=O)cc4)ccc31)C(=O)c1ccccc1-2,CHEMBL1449982
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Oc3ccccc3)cc1)O2,CHEMBL64095
+CCO[C@H](Cc1ccc(OC/C=C(/C)C#Cc2ccc(-c3ccc(C#C/C(C)=C/COc4ccc(C[C@@H](OCC)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O,CHEMBL2112997
+Cc1ccc(NC(=S)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cc1,CHEMBL465132
+CS(=O)(=O)N1CCC([C@@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)CC1,bindingdb_270870
+O=C(N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1(O)CCS(=O)(=O)CC1,bindingdb_652318
+Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3c(C)cccc23)C(F)(F)F)c(C)c1,CHEMBL3093448
+CC(=N)C(C#N)C(=O)CSc1nc2ccccc2[nH]1,bindingdb_526108
+N#Cc1ccc(C(O)(c2cscn2)C(F)(F)F)cc1C(F)(F)F,CHEMBL3818942
+C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43/C=C/Br)C1CC[C@@H]2O,CHEMBL204317
+CC(=O)N1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1,CHEMBL3317833
+CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,CHEMBL4082510
+CCOC(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(=O)O,CHEMBL4174713
+CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2)ccc1O,CHEMBL3613415
+CC(C)c1cccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccccc32)c1,CHEMBL197636
+C[C@@H]1COCCN1C(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_649670
+Cn1cc(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)ccc1=O,bindingdb_651373
+Cc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)nn1,bindingdb_1017662
+Oc1cc(OCc2ccccc2)ccn1,CHEMBL1475400
+CNc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cc(C)cc32)cc1,CHEMBL1668071
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](C)C(=O)NS(=O)(=O)C4CC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018144
+[C-]#[N+]c1ccc(NC(c2nnc(-c3ccccc3)o2)C(O)c2ccccc2)c(C)c1Cl,CHEMBL3640856
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(N(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263611
+CCCc1c(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(CC)c3ccccc3)cc2n1C,CHEMBL3115237
+CCCN(CCc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1,CHEMBL3109225
+O=S(=O)(c1ccc(Cl)s1)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL380094
+O=C(Cc1c(-c2c(Cl)cccc2Cl)noc1C1CC1)OC1CC2CCC(C1)N2c1nc2c(F)cc(C(=O)O)cc2s1,bindingdb_1017882
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126858
+NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1,bindingdb_654873
+Cc1cccc(F)c1C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1,bindingdb_650576
+COc1ccc([C@H]2CC[C@H](CN(c3cccc(-c4cnn(CCN(C)C)c4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)cc1C,bindingdb_109235
+O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,CHEMBL1568118
+OC[C@@H]1CCCN1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL359774
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(F)cc1,bindingdb_112268
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCCc3ccccc3)c2)c(Br)c1,CHEMBL235816
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(C(O)CN3CCOCC3)c(CO)c2)cc1,CHEMBL3314021
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)O[C@@H]4CCOC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4161259
+CN(C)Cc1ccc(OCCCN2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1,bindingdb_511718
+COc1cc(OC)c2c(=O)cc(-c3cccnc3)oc2c1,CHEMBL1529347
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2-c2cccc(C(N)=O)c2)c2ccccc12,bindingdb_653740
+CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL253417
+CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,DB09535
+O=C(CO)N[C@@H]1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_647708
+CCCCCCCCCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21,CHEMBL189306
+O=C(Cc1ccncc1)N1C[C@@H](Cc2cccc3ccccc23)[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_648714
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)N4CCOCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263763
+O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1F,bindingdb_672355
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc21,CHEMBL382982
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)cc2CC2CCCCC2)c2ccccc12,bindingdb_647936
+CC(C)(O)C1CCN(C(=O)c2coc(Nc3ncnc4c3CCN(c3ccc(C#N)c(C(F)(F)F)c3)C4)n2)CC1,bindingdb_475934
+CCN(CC)CCOc1ccc(Oc2c(-c3ccc(OC)cc3)c(=O)oc3cc(OC)ccc23)cc1,CHEMBL4177323
+CN=c1scc(C)n1N=Cc1ccc(O)cc1O,bindingdb_760452
+O=C(O)c1ccc(-c2noc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)n2)cn1,bindingdb_1017926
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646162
+CC(C)(Cn1cc(F)cn1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cc1I,bindingdb_476110
+O=C(O)c1ccccc1SCC(=O)N1CCc2ccccc21,bindingdb_672443
+CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccsc2)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL146562
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccno3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_651226
+Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(Br)o4)cc3)sc2c1,bindingdb_672467
+CO[C@@H]1C[C@H]2CN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CN(C[C@@H](F)C(C)(C)O)C4=O)CCN2C1,bindingdb_1127392
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ncccn1,CHEMBL1917256
+COc1ccccc1CCc1cccc(NC(N)=O)n1,CHEMBL4075462
+CC[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(C)(=O)=O)cn3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_1127676
+C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@@H]23)C[C@@H](O)/C(=C\CCO)[C@@H]1O,CHEMBL1830165
+C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2F)N1CC(F)(F)CO,bindingdb_403493
+Cc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1,bindingdb_584205
+O=C1c2ccccc2-c2onc3c(Oc4ccccc4)cc(O)c1c23,CHEMBL1384515
+CCCCCn1c(=O)[nH]c2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL364651
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1,CHEMBL4172665
+Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1,CHEMBL594050
+Cc1noc(C)c1-c1ccc([C@@H]2CN(C(=O)NCc3ccccc3)C[C@]2(C)c2ccc(F)cc2)cc1,bindingdb_652681
+O=C(O)c1ccc2nc(C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1,bindingdb_1017392
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)c1,CHEMBL3398441
+CC(C)(O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648228
+O=C(NS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL218175
+Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccco2)cc1,CHEMBL2037305
+COc1ccc2sc(S[C@@H](C)C(=O)O)nc2c1,CHEMBL567390
+O=C(O)C1CC2CCC(C1)N2c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12,bindingdb_646298
+Cc1cc(OC(F)F)cc2ccn(Cc3c(Cl)ccc(C(=O)N4CCC(CC(=O)O)CC4)c3Cl)c12,bindingdb_206587
+O=c1[nH]c(Nc2ccc3c(c2)OCCO3)nnc1Cc1ccccc1,bindingdb_1694
+COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C,bindingdb_645821
+CN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1,CHEMBL426461
+CC1(C)CCC(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)CC1,bindingdb_1000247
+O=C(O)c1cc([C@H]2CCOC2)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1018198
+CCS(=O)(=O)N1CC2(CC(CNc3nc4cnc(-c5c(OC)ncnc5C5CC5)nc4n([C@@H](C)C4CC4)c3=O)C2)C1,bindingdb_650410
+Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)o1,CHEMBL2332584
+CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)C(F)(F)F)c2)c1,CHEMBL596158
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O[C@@H](C(C)(C)C)C(F)(F)F)ccc2O1,bindingdb_645269
+Cc1nn(CCCCO)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337734
+CC(C)c1ccc(-n2cc(C(=O)c3ccc(O)cc3)nn2)cc1,CHEMBL2381368
+CCN(CC)CCOc1ccc(-n2c3c(c4ccc(OC)cc4c2=O)C(=O)c2cc(OC)ccc2-3)cc1,CHEMBL3827137
+O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CC1,bindingdb_1004956
+Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1,bindingdb_539800
+CCCCCCOc1ccc(C(=O)CCN(C)c2ccccc2)cc1,CHEMBL541227
+O=C(C1COC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_646053
+COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCC(=O)NC(=O)c3ccccc3)cc2)cc1,CHEMBL401829
+Nc1ccccc1C(=O)c1cn(-c2cccc(OCc3ccccc3)c2)nn1,CHEMBL2381361
+Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1,bindingdb_45579
+Cc1ccc(C(=O)c2nc3ccccc3n2Cc2cccc(OC(C)(C)C(=O)O)c2)cc1,CHEMBL1760560
+Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)nn2c(O)c1Cl,CHEMBL1505467
+Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL221074
+COC(=O)/C=C/CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL46329
+CC(C)CN(Cc1ccc(N2CCN(CCO)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_654563
+CCc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)c(F)c1,bindingdb_168553
+COc1ccccc1-c1ccc2c(c1)C(CSC1CCCCC1)=CC(C)(C)N2,CHEMBL381387
+COc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1,CHEMBL469600
+CC(C)(Oc1ccc(CCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204694
+CCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706878
+Cc1c(NC(=O)c2ccc(F)c(C#N)c2)cnc2c1c(C1CCN(C(=O)C(C)C)CC1)cn2C,CHEMBL4285739
+Cc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1,bindingdb_292589
+NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL513911
+Nc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3)c2)nn1,CHEMBL2381359
+O=C(N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1cncnc1,bindingdb_649816
+COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccncc4)sc3n2)cc1,CHEMBL1598249
+CC(C)(C#N)C(=O)N[C@H]1C[C@@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651860
+CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,CHEMBL3695611
+CC[C@H](CO)NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183095
+Cc1c(C)n(Cc2cc(Cl)cc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3678140
+C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)c(Cl)c1)CCC(=O)O,CHEMBL3964816
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1,CHEMBL463679
+O=C(N[C@H]1CC[C@@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccncc1,bindingdb_651144
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4CN(Cc5ccc(C(F)(F)F)cc5)C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL4211724
+C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1,CHEMBL4203030
+O=C(CSc1nnc[nH]1)Nc1nnc(-c2ccccc2)s1,bindingdb_1004960
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183577
+O=C(c1ccc(C(F)(F)F)cc1)c1c(-c2ccc(F)cc2)sc2cc(O)ccc12,CHEMBL3763592
+Cc1cc(-c2nc3c4c5c(sc4nc(O)n3n2)CCC5)c(C)o1,CHEMBL1423705
+COCCOc1ccc(CCC(=O)NS(=O)(=O)c2ccccc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1,CHEMBL2024604
+CC1(C)CC(S(=O)(=O)NC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)CCO1,bindingdb_1018274
+COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126857
+NC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_647114
+COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2,CHEMBL442803
+Cc1cc(CN2Cc3ncccc3CC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,CHEMBL1643202
+Cn1cc(C2CCN(C(=O)CC3CCCCC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_645725
+O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1,CHEMBL3898358
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(N)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183273
+CS(=O)(=O)NC(=O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OC(=O)c3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1,bindingdb_1018720
+CC(C)(C)Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1183439
+Cc1nn(Cc2ncc[nH]2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_168491
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)S(=O)CN3CC2CCOCC2)cc1,bindingdb_54972
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C(C)(C)C)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263782
+CCCCCCOc1cc(C)c(C(=O)CCN2CCOCC2)c(C)c1,CHEMBL552456
+O=C(O)c1cccc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1017989
+O=C(Cc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)OCc1ccc(C(F)(F)F)cc1,bindingdb_988925
+CC(C)[C@@H]1CN(c2ccc(CO)c(S(C)(=O)=O)c2)CCN1c1ncc(CN(C)CCCO)c(C(F)(F)F)n1,bindingdb_1143438
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ncnc5ccccc45)nc(-c4cccc(F)c4)c3CC[C@H]12,bindingdb_652393
+Oc1cccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c1,bindingdb_401209
+CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB01134
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)cc1Cl,CHEMBL552048
+Cc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cnc1F,bindingdb_1018875
+CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_645726
+CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,DB00378
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)cnc(OCC3CCOCC3)c1Cl)n2C,bindingdb_206272
+Cc1c(C(O)(C(C)C)C(F)(F)F)ccc(C#N)c1Cl,CHEMBL3818208
+O=C(O)CSc1nc(Cl)cc(Nc2cccc3c2CCC3)n1,CHEMBL459521
+CN(C)C(=O)c1ccc2c(c1)c(S(=O)(=O)c1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1,CHEMBL3938602
+O=C(O)c1cc(C(F)(F)F)cc2nc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc12,bindingdb_1017397
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018712
+O=C(O)c1ccc(-c2noc(C34CCC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)(CC3)CC4)n2)cc1,bindingdb_1017538
+CC(=O)NC1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(Cl)c2)C1,bindingdb_998158
+Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)CC(C)C)c2)c1,CHEMBL595345
+O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F,bindingdb_998100
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N1CCC(O)(CO)C1,bindingdb_654460
+Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)[nH]n2c(=O)c1Cl,bindingdb_831460
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)C(C)(C)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O,CHEMBL2059272
+O=C(c1ccnc(O)c1)N1CC[C@](c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651480
+CCC/C(=N/Nc1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1,CHEMBL3212870
+O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccco2)s1,CHEMBL1522034
+CN1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC1=O,bindingdb_654303
+O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1,CHEMBL1566165
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3C(F)(F)F)c2)c(Br)c1,CHEMBL235383
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)O)ncc3c2)cc1,CHEMBL1672451
+CCOC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2)c2ccccc12,bindingdb_672645
+CCC(C)N1C[C@@H](N(Cc2ccccc2C)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL552492
+O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1[C@@H]1CCNC[C@H]1F,CHEMBL4171419
+CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)cc2)cc1Cc1ccc2ccccc2c1,CHEMBL3109240
+CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(CNc3cccc(C(F)(F)F)c3)n2-c2ccccc2)cc1,CHEMBL3234268
+Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CC2)cc1F,bindingdb_1017837
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1,CHEMBL127229
+Cn1cncc1[C@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(OCC(F)(F)F)c(Cl)c2c1,bindingdb_648357
+CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1,CHEMBL1303367
+COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1,bindingdb_112276
+O=C(O)[C@H]1CC[C@](F)(C(=O)N2CCC3(S(=O)(=O)c4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4NCC23)CC1,bindingdb_647066
+O=C(O)CCCN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645455
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCCc4ccc(OC)c(OC)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018679
+COc1ccc2oc3cc(NCCN(C)C)ccc3c(=O)c2c1,bindingdb_999549
+C[C@H](CN1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1,CHEMBL183044
+CC(C)(O)C(=O)NC[C@H]1CN(S(=O)(=O)c2c(OCCO)nn3ccccc23)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645702
+O=C(O)c1cnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c(F)c1,CHEMBL4286228
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3c(F)cc(N(C)C)cc3F)C[C@@]21C,bindingdb_168527
+COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_168534
+Cc1ccc(/C(=C(\CCCO)c2cccnc2)c2ccc(OCCN(C)C)cc2)cc1,CHEMBL3990069
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc([C@H](O)CO)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654716
+CCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12,bindingdb_417338
+Cc1nc2ccccc2c(=O)n1N=Cc1c(O)ccc2oc3c(c12)CCCC3,bindingdb_401413
+Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OCC(=O)O,bindingdb_100354
+CCCCC(CC)Cn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21,bindingdb_112242
+CCOc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12,CHEMBL1672464
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C)cc1,bindingdb_123972
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@@H]3CCC[C@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183483
+CCC(C)OC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@H]1C(C)C,bindingdb_999681
+Cc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OC(=O)c3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)nc12,bindingdb_1018682
+CC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12,CHEMBL3402225
+CC1(c2ccc(/C=C/c3nn[nH]n3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1,CHEMBL4099931
+O=C1CC(c2ccc(F)cc2)Cc2nc(NCC3CCCO3)ncc21,CHEMBL1365404
+CCN(CC)c1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SCC2)c(F)c1,bindingdb_403476
+O=c1c2ccccc2nnn1CCc1ccccc1,bindingdb_999608
+O=C1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2nnsc2c1,bindingdb_506244
+O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(C3CCCCC3)c2)c(Cl)c1,CHEMBL396304
+Fc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1,bindingdb_652915
+Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2ccsc2)cc1,CHEMBL593087
+O=C(c1ccccc1)c1ccc(-c2nc3ccccc3n2[C@H](C(=O)NC2CCCCC2)C2CCCCC2)cc1,bindingdb_846248
+C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)C(=O)O)n3)nc2CC2CCC2)c(C(F)F)c1Cl)C(F)(F)F,bindingdb_645253
+CC[C@@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL229916
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CCC(S(C)(=O)=O)CC3)nc2CC2CCCCC2)c2ccccc12,bindingdb_646195
+CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2)cc1,CHEMBL3361030
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)c3cccc4c3CCC4)CC1)cn2C,bindingdb_645928
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](c1n[nH]c(=O)o1)O2,bindingdb_649114
+O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1c(Cl)cccc1Cl,bindingdb_672603
+CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3OCCCCO)ccc21,CHEMBL4205733
+CC(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL2203818
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CNC(=O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651289
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nccc(C(F)(F)F)n2)c1)C12CC(F)(C1)C2,bindingdb_1017817
+C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_961389
+CC(C)(C#N)c1ccc(C23CCC(/C=C/c4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CO3)cc1,bindingdb_1018410
+N#Cc1ccc(S(=O)(=O)N(Cc2cccc3ccccc23)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4089302
+COc1ccc([C@H]2CC[C@H](CN(C(=O)CC(C)(C)C)c3nccc4cc(C(=O)O)ccc34)CC2)cc1C,bindingdb_1017468
+CCS(=O)(=O)c1ccc(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)cc1,CHEMBL497555
+COc1ccc(C2CC(c3cccs3)=NN2C(=O)CN2CCCCC2)cc1,bindingdb_672345
+CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL203408
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)c3ccc(O)cc3)cc2S(=O)(=O)N1,bindingdb_846235
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C13CC(C1)C3)O2)C(F)(F)F,bindingdb_648355
+c1ccc2sc(N=NCc3ccc4c(c3)OCO4)nc2c1,bindingdb_672425
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(=O)C3COC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(OC)n1,bindingdb_646130
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(S(C)(=N)=O)c2)cc1,bindingdb_55000
+N#Cc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1,CHEMBL1929029
+COc1ccc(-c2nc(Sc3cccc(C(C)C(=O)O)c3)sc2-c2ccc(OC)cc2)cc1,CHEMBL1080361
+O=C1NC(=O)C(=Cc2ccc(N(CCOc3ccc([N+](=O)[O-])cc3)CCOc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1,CHEMBL3753490
+Cc1ccc(NC(=O)CCc2nnc(CCCC(C)C)n2C2CC2)c(C)c1,CHEMBL3774985
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@H]1C[C@](O)(CO)C1,bindingdb_652442
+CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(F)cc1C3,CHEMBL92750
+CN1C(=O)CSc2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc21,CHEMBL1397845
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cn(C[C@@H](O)CO)nn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652267
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(CCS(=O)(=O)C4COC4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654178
+CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(C)cc1O,bindingdb_950131
+Cc1cccc(S(=O)(=O)N2CC(CO)Cc3ncc(NC(=O)OC(C)(C)C)cc32)c1,bindingdb_650197
+O=C([C@H]1CC[C@](F)(C(=O)O)CC1)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3OCC12,bindingdb_650288
+C[C@H](NC(=O)c1cc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCC2)cc(C2(C(F)(F)F)CC2)c1)C(F)(F)F,bindingdb_645439
+O=C(N[C@H]1CC[C@@H]1O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(N[C@@H](C3CC3)C(F)(F)F)cc2C(F)F)s1,bindingdb_1183042
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ncccn1,CHEMBL2023620
+CCOC(Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1)C(=O)O,bindingdb_988810
+Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O,CHEMBL2403359
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ncc(C(C)(C)O)o1,bindingdb_652307
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1COc2ccccc2O1,CHEMBL1304227
+C=C1CC[C@@H](Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O,CHEMBL51093
+CCCc1nc2ccc(-c3ccccc3Cl)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4069460
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CC1,bindingdb_1182836
+Cc1nc(-c2cc(C(=O)N[C@@H](C)Cn3ccc(-c4ccc(C#N)c(Cl)c4)n3)n[nH]2)cs1,bindingdb_475694
+CCS(=O)(=O)Nc1ncc(-c2nccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)cn1,bindingdb_645901
+COC1CN(C(=O)C2CCc3c(N4CCC(C(=O)OC(C)(C)C)CC4)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_645776
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1,CHEMBL1299324
+CCS(=O)(=O)c1ccc([C@H](CC(=O)NC)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271191
+Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)c1ccccc1,CHEMBL3643680
+COc1ccc2c(c1)CCN(C(=O)/C=C/C(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4209940
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)N1CC(F)(F)C1,bindingdb_1184223
+CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c1COC2(C(F)(F)F)C(F)(F)F,CHEMBL3588886
+Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21,CHEMBL363412
+CS(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(Cl)cccc34)c2)c1,CHEMBL593471
+Cc1c(N2C(=O)N(Cc3ccc(-c4cc[n+]([O-])cc4)cc3)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511735
+Cn1cc(S(=O)(=O)N2C[C@H](CN3C(=O)COC3=O)Oc3ccc(NC(=O)OCC4CCCCO4)cc32)cn1,bindingdb_650544
+O=C(N1CCC2(S(=O)(=O)c3ccccn3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12)C1(O)CCS(=O)(=O)CC1,bindingdb_653468
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCS(=O)(=O)CC1,bindingdb_647100
+COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](Cc2ccccc2)NC(=O)C(C)(F)F)cn1,CHEMBL4211936
+C[C@H](CCn1oc(=O)[nH]c1=O)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138034
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC(O)C3)c1Cl)n2C,bindingdb_646643
+Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)[nH]n2)ccc1OC(C)(C)C(=O)O,CHEMBL516824
+CCCCCCCCC(O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL183475
+CN(C(=O)NCc1ccc(CC(=O)O)cc1)c1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1,bindingdb_651840
+CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCCO4)C[C@@]21C,bindingdb_168581
+C[C@@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)c(F)c4S[C@@H]3c3cccc(O)c3)cc2)C1,CHEMBL182690
+N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1,CHEMBL4093329
+Cc1nn(C)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,CHEMBL3337726
+Nc1c(OS(=O)(=O)c2ccccc2)cccc1OS(=O)(=O)c1ccccc1,bindingdb_999643
+COc1cccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1,CHEMBL1163898
+O=C(Cc1ccc(Cl)cc1Cl)Nc1ccncc1Cl,bindingdb_539878
+Cc1ccc2cc(C(=O)N(Cc3ccco3)C(C)C)[nH]c2c1,CHEMBL3318066
+O=S(=O)(NC1Cc2ccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)cc2C1)c1ccccc1,bindingdb_107868
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CS(N)(=O)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_646296
+CCS(=O)(=O)c1ccc(CC(=O)N2C[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@](C)(c3ccccc3)C2)cc1,bindingdb_651873
+CC1(C)Cc2ccccc2-c2nc(S)nc(O)c21,CHEMBL1307433
+COc1ccc(-c2noc(C34CCC(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)cc1C(=O)O,bindingdb_1018492
+N#Cc1ccc(N2[C@H]3CC[C@H]2CC(O)C3)cc1C(F)(F)F,CHEMBL3410850
+CC1(C)C(=O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O,CHEMBL1087512
+CCCCC(Oc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O,CHEMBL1817687
+Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC(c2cccc(Cl)c2)=N1,CHEMBL211586
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1C(F)(F)F,bindingdb_1183078
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)cnc(C(=O)N3CCC(O)C3)c1Cl)n2C,bindingdb_648136
+Cc1cc2nc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)c(C)n2nc1C#N,bindingdb_647180
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1,CHEMBL364015
+CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)c1noc(=O)[nH]1,CHEMBL4289449
+NCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1,CHEMBL4073395
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C)c1-c1ccc(CCCC(F)(F)F)cc1OC,bindingdb_1183743
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(CCNC(=O)CCCC(=O)O)c2)cc1,CHEMBL182464
+CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988799
+CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1CCOC1=O,CHEMBL3403689
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(OC2CCC(F)(F)CC2)cc1OC,bindingdb_1184150
+CC(=O)N[C@@H](C)[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645982
+CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccccc1Cl)c1ccccc1,CHEMBL1825116
+O=C(O)c1cc(-c2cccnc2)nc2ccc(Br)cc12,CHEMBL1618856
+O=C1Nc2ccccc2C1C=Nc1ccccc1,bindingdb_999794
+CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]c(=O)oc2c1)c1ccccc1,CHEMBL3581637
+Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)N4CCC[C@H]4C(N)=O)c3)c2c1,CHEMBL1668091
+CCn1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)NS(=O)(=O)C(C)(C)C)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647056
+CC1=CC[C@]2(O)C[C@H]1[C@H](c1ccc(O)cc1Cl)OC2(C)C,CHEMBL359512
+CNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(C)cccc3F)cn2)CCO1,bindingdb_558647
+CCOC(=O)c1ccc(NC(=O)c2c3c(nn2-c2ccccc2)CCN(S(=O)(=O)c2cccs2)C3)cc1,bindingdb_846281
+CS(=O)(=O)c1cccc(-c2ccc(CN(Cc3c(F)cccc3Cl)S(=O)(=O)C3CC3)cc2)c1,CHEMBL1093840
+COc1cccc(-c2nn(C(C)C)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1,CHEMBL3264648
+S=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCCCC1,bindingdb_1000219
+COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(F)c2F)c1,CHEMBL4174266
+CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1,CHEMBL3632946
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263891
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(C(C)(C)S(C)(=O)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648246
+COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,bindingdb_584250
+O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3ccccc3OC(F)F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1,bindingdb_653501
+CCN(C(C)=O)c1ccc(C23CC4CC(CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1,CHEMBL3397782
+C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1=O,CHEMBL1301796
+O=C1Cc2ccccc2C2(CCN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2)N1,bindingdb_653072
+CC(C)c1onc(COc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL466451
+CCCCCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,CHEMBL224047
+CC(C)(N(C(=O)[O-])c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCc1nnn[nH]1)O2)C(F)(F)F,bindingdb_653539
+CCOc1ccccc1C(=O)N1CCN=C1SC,CHEMBL1307067
+Fc1cccc(Cl)c1/C=C/c1cnc2ccccc2n1,bindingdb_999678
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCOc1ccc(-c2ccncc2)cc1F,bindingdb_511817
+CCOc1ccc2nc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4CC)sc2c1,CHEMBL3234025
+C=Cc1ccc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1,bindingdb_652671
+Fc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1,CHEMBL2346968
+CNC(=O)c1ccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc2c1,CHEMBL3578278
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1OCC(F)(F)F,bindingdb_653462
+O=C(O)c1ccc(N2C(=O)[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1017540
+COc1ccc(-c2nc(Cl)cc(Oc3ccc(OCCN(C)C)cc3)n2)cc1,CHEMBL4241527
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C3CC3)c2)c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2O1,bindingdb_998110
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCC3COc4ccccc4O3)cc12,CHEMBL3695825
+CC(C)(C)c1ccc2c(c1)CCC1N(C(=O)C34CCC(C(=O)O)(CC3)CC4)CCC21S(=O)(=O)c1cccc(F)c1,bindingdb_655008
+O=C(O)C1CCN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_650801
+CC1(C)[C@H]2CC[C@]1(CN(CC1CC1)C(=O)c1coc(CS(C)(=O)=O)n1)C(=N)/C2=C\C(=N)c1c(F)cccc1F,bindingdb_653439
+CCC(NC(=O)c1ccc2c(c1)c(C)cn2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1,CHEMBL3695857
+Cc1cc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(CC(C)O)CC3)c1Cl)n2C,bindingdb_206306
+COC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)cc(C(=O)OC)c1,CHEMBL1528804
+CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12,bindingdb_958515
+COc1nn2c(c1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C3CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc31)CCCC2,bindingdb_651689
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(CSc6cccc(O)c6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834543
+O=C(C1CCOC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649049
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1F,bindingdb_206383
+CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3C(F)(F)F)s2)c1,CHEMBL3360965
+COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1,bindingdb_112225
+C[C@]12O[C@@](C)(C[C@H]1NS(=O)(=O)c1ccccc1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL3623124
+Cc1cc(OCCNCCCF)cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(F)(F)F)c1,bindingdb_402195
+O=C1COc2ccc(C3=Nn4ccnc4SC3c3ccccc3)cc2N1,CHEMBL1928877
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC2CC2C(F)(F)F)cc1OC,bindingdb_1183124
+Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1F,CHEMBL390849
+C#COc1ccc2c(c1OC)-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3,CHEMBL1089812
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_652201
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)c4ccc(-c5cnoc5)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_646736
+N[C@H]1CN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C[C@H]1CF,bindingdb_654131
+CCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1,bindingdb_292536
+Cc1c(OCCNCCCF)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(F)(F)F)N1C[C@H](C)C(=O)O,bindingdb_401136
+O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2,bindingdb_1026147
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCCCC5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263711
+Oc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/c3c[nH]cn3)cc2)cc1,CHEMBL4068267
+O=C(O)C(Sc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1)c1cccc2ccccc12,CHEMBL1089158
+O=C(O)c1cc(OCC(F)(F)F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018533
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)cc1F,bindingdb_998356
+Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1,bindingdb_584043
+C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21,CHEMBL1300662
+O=C(O)c1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12,CHEMBL253312
+CC(C)[C@@H]1CN(c2ccc(F)c(S(N)(=O)=O)c2)CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,bindingdb_1143435
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1)c1cc2ccccc2o1,CHEMBL1465171
+CCS(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1,bindingdb_1054344
+O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1,CHEMBL1084014
+CC(C)(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)[C@@H]1c2ccc(Cl)nc2Oc2c(F)cccc21,bindingdb_1054301
+CN(C)C1CN(C(=O)C2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4CC4)c3C2)C1,bindingdb_645213
+Cc1c(OCCNCCC(F)F)ccc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_400992
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C#N)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_652909
+O=C(O)c1ccc(F)c(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)c1,bindingdb_1017925
+O=C(Nc1ccncc1)OC1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1,bindingdb_646922
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1F,bindingdb_1017997
+CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2[nH]1,CHEMBL4088048
+CC(C)(C(=O)NC(N)=O)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)nc3)ccc21,bindingdb_1054245
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)cc(CN2CCC(C(F)(F)F)CC2)n3C2CC2)cc1,bindingdb_206656
+CC(CO)c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F,bindingdb_647121
+CCC(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL3623119
+CCC(NC(=O)c1ccc2c(ccn2C(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1,CHEMBL3678102
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)NC1CCC1)O2)C(F)(F)F,bindingdb_648796
+O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1cccc2ccccc12,CHEMBL457270
+CC[C@H]1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C,CHEMBL229160
+C=C[C@]12CCC(C)=CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,CHEMBL398634
+CCC(NC(=O)c1ccc2c(ccn2C(=O)c2cccc(F)c2F)c1)c1ccccc1,CHEMBL3678103
+CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1,bindingdb_1758
+CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c(C4=CCC(C(=O)O)CC4)nn(C(=O)c4c(Cl)cccc4C4(F)CCC4)c3C2)C1,bindingdb_652979
+Cc1cc(-c2ccccc2)n2ncc(-c3ccccc3)c2n1,bindingdb_999578
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263669
+C[C@H](CCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL406923
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(N(C)C)n1,bindingdb_652556
+CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCC1)c1ccccc1CC2,CHEMBL3764324
+CCCS(=O)(=O)NC(=O)CC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_1017906
+CC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059570
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N3CCOCC3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1182900
+CCCCC(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O,CHEMBL331206
+CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1ccccc1,CHEMBL196067
+Cc1ccc(CN=Nc2ccc(Cl)c(C(=O)O)c2)s1,bindingdb_672532
+CCCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)ccc12,bindingdb_1736
+O=c1[nH]nc(Cc2c(Cl)cccc2Cl)c2ccccc12,CHEMBL3622589
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C1CCCC1,bindingdb_652379
+NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,bindingdb_112066
+CC1(C)CN(C(C)(C)CO)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1947178
+CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)O,CHEMBL573896
+Oc1ccc(C2=C(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(F)cc3OCC2)cc1,CHEMBL4225059
+O=C(N1CCN(C2CC2)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645936
+CC(C=Cc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cccnc1,bindingdb_91296
+CC(C)Oc1cc(C(F)(F)F)nc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)n1,bindingdb_125960
+CCc1c(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C,bindingdb_206358
+Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1,CHEMBL3137304
+O=C(Nc1ccncc1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645704
+C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(C(F)(F)F)cc1,CHEMBL591534
+Cc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1,bindingdb_999598
+CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OC[C@H](O)CO)c(C)c1,CHEMBL1270149
+CC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)c(Cl)c1,CHEMBL4176351
+CC(C)(C)OC(=O)n1c(-c2ccc(OCCO)cc2)cc2ccccc21,CHEMBL234388
+CCN(CC)CCOc1ccc(Nc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)cc1,CHEMBL4170974
+CC(C)C1CCC(C(=O)N2CCN(c3ccc(CCO)c(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)CC1,bindingdb_1130895
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C(F)(F)F)CCC2)cc1C(F)(F)F,bindingdb_1183246
+Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(S(C)(=O)=O)c2)ccc1Cl,CHEMBL595455
+C[C@@H]1CN(c2cnc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1,CHEMBL4071008
+COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1,bindingdb_999916
+Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1,CHEMBL1452430
+O=[N+]([O-])c1ccc2oc(-c3cccc(O)c3)nc2c1,bindingdb_672420
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1182904
+Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)cc1)CCC2,CHEMBL2312276
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(F)c2)CC1,bindingdb_654757
+O=C(O)/C=C/c1ccc(Oc2c(-c3cccc(F)c3C(F)(F)F)sc3cc(O)ccc23)cc1,bindingdb_400874
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)S(=O)(=O)c1ccccc1C#N,bindingdb_654592
+CN1CCC(CCn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1,bindingdb_417480
+COc1nc2ccc([C@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1nccs1,bindingdb_55064
+COc1cccc2c1/C(=C/c1c(Cl)cccc1Cl)C(=O)N2c1ccc(C(=O)O)cc1,bindingdb_646546
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4ccccc4Cl)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1019161
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1)C12CC(F)(C1)C2,bindingdb_1018469
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(OCC4CCNC4)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649103
+COCCn1ncc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c1C,bindingdb_647310
+CN(C(=O)c1ccc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1CCOCC1,bindingdb_649491
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)c1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC(F)F,bindingdb_1184010
+Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2cccc(OC[C@@H](O)C[C@@H](O)CC(=O)O)c2)cc1)Cc1ccc(F)cc1F,CHEMBL182013
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccccc4)c3CC[C@H]12,bindingdb_653796
+C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)C(=O)C#C/C=C/C)CC[C@@H]23)C[C@H]1O,5zwh
+O=C(O)c1ccc(-c2cn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N4CCC4)ccc23)c(F)c1,bindingdb_654931
+CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183386
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c1Cl,bindingdb_648332
+COc1ccccc1S(=O)(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1,bindingdb_1000206
+Cc1c(N(C(=O)[O-])C(C)(C)C(F)(F)F)ccc2c1N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CO)O2,bindingdb_654117
+O=C(N(CC12CCC(c3cc(C(F)(F)F)ccn3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1)C12CC(F)(C1)C2,bindingdb_1018963
+OC1(C(F)(F)F)CCCCc2c1[nH]c1c(Cl)cc(Cl)cc21,CHEMBL1290632
+Cc1c(N2C[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL234185
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCN(Cc2ccccc2)C1,bindingdb_646448
+Fc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1,bindingdb_999745
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)NNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c2)c(Cl)c1,CHEMBL2398426
+C[C@@H](O)Cn1ccc(-c2cccc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1,bindingdb_652081
+CCc1ccc(S(=O)(=O)C23CCN(C(=O)[C@H]4CC[C@](F)(C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)cc1,bindingdb_652606
+Oc1ccc2nc(-c3ccc(O)c(O)c3)oc2c1,CHEMBL189025
+CN(C)c1c(F)cc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1F,bindingdb_168593
+CCN(CC)CCOc1ccc(Oc2c(-c3ccc(F)cc3)c(=O)oc3cc(OC)ccc23)cc1,CHEMBL4165623
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)N4CC(C)(C)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263590
+CN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1,CHEMBL206626
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(C)o1,bindingdb_653048
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(C[C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651287
+CSc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1,CHEMBL1485005
+C[C@H]1CCCN1C(=O)c1nc(C(=O)N2CC(O)(C(C)(C)O)C2)sc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F,bindingdb_645459
+CN(C)CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,CHEMBL1085668
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(C[C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648460
+C[C@@]1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL490825
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3c(F)cc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646037
+Cc1ccc2nc(-c3ccco3)c(NCc3ccccc3)n2c1,CHEMBL4064512
+COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1,CHEMBL1587260
+Cc1ccc2cccc(OCC(=O)NCCC3=CCCCC3)c2n1,bindingdb_292572
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CC(F)(F)C2)C3)CC1,bindingdb_648567
+O=C(Cc1ccncc1)N1C[C@@H](Cc2ccccc2)[C@H](c2ccc(-c3c(F)cccc3F)cc2)C1,bindingdb_648632
+CC(=O)Nc1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,bindingdb_1062360
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)C[C@H](CCc1noc(=O)[nH]1)O2)C(F)(F)F,bindingdb_648384
+O=C(O)CC1=C/C(=C\c2cccc3cccnc23)c2ccc(F)cc21,CHEMBL515831
+CC(C)(C)CNc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1,bindingdb_1182823
+CCCc1cc(=O)oc2cc(OCC(=O)NCc3ccccn3)ccc12,bindingdb_1744
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)F)n3Cc2cccc3c2OC(F)(F)O3)nc1,bindingdb_270508
+N#CC(=C(c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1,CHEMBL3991204
+CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C#N)cc2)[C@H]3C(C)C)cc1,bindingdb_206419
+COc1ccc(C(CC(=O)N2CCCC(C)C2)c2c(O)cc(OC)cc2OC)cc1,CHEMBL1370683
+Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCN(C4CC(C(=O)O)C4)CC3)c1Cl)n2C,bindingdb_206545
+CCOc1nc2ccc(C(O)(c3ccc(OC)nc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1,bindingdb_1184078
+CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2)ccc1O,CHEMBL3613408
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NS(=O)(=O)O)cc3)o2)[C@@H](C)OS(N)(=O)=O)c(C)c1Cl,CHEMBL3640906
+Cc1cc(C(=O)O)nc2ccc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018022
+Cc1ccc(CN(C(=O)c2cc3ccc(F)cc3[nH]2)C(C)C)o1,CHEMBL3318068
+CC(C)CCc1cc(NCC(C)C)nc(NCc2cccc3ccccc23)n1,CHEMBL494492
+C[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1)C12CC(C1)C2,bindingdb_654788
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)O[C@H](C)C(C)(C)C)ccc2O1,bindingdb_645874
+O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCC2(CC1)OCCO2,CHEMBL1383746
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(C[C@H](O)CO)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_650138
+COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1cnn2C1CCSCC1,bindingdb_18664
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2)OCC1(C(F)(F)F)CC1,bindingdb_647363
+Cn1c(C#N)ccc1-c1ccc(O)cc1S(C)(=O)=O,CHEMBL4074927
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCc3ccc(OC(C)C)cc3)c2)cc1,CHEMBL3109232
+O=C(O)c1ccc2nc(C(O)C34CCC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)(CC3)CC4)sc2c1,bindingdb_1017377
+FC(F)(F)c1cnc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,CHEMBL1560288
+Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCC4)cc3)c21,CHEMBL370849
+COC1(C)CN(C(=O)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)F)CC4)c3C2)C1,bindingdb_647793
+CC[C@H](C[C@H]1CN(S(=O)(=O)c2ccnc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648583
+CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,CHEMBL2059567
+CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,DB01248
+CC(C)(NS(=O)(=O)C1CC1)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647604
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(Cc4ccc(C(=O)O)cc4)c4ccc(Br)cc4)cc3)C[C@@]21C,CHEMBL388018
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc([C@@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_648446
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018792
+Cc1ccc(C(CC(=O)N2CC(C)CC(C)C2)c2c(O)ccc3ccccc23)cc1,CHEMBL2312138
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CC(=O)O)c2)cc1,CHEMBL4227783
+C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL125227
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C(=O)N1CCCCC1)c1ccccc1,CHEMBL409212
+O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3c2CCCC3)cc1O,bindingdb_998252
+COCCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL511100
+Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657144
+CCN(CC(=O)NC(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1,bindingdb_87281
+O=C(NCc1ccccc1)c1cc2c(n1Cc1ccncc1)CN(S(=O)(=O)c1ccccc1F)CC2,bindingdb_80772
+Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1,bindingdb_953841
+COC1CN(C(=O)N(C)C2CCc3c(-c4ccc(C(=O)O)cc4F)nn(C(=O)c4c(Cl)cccc4C4(C(F)(F)F)CC4)c3C2)C1,bindingdb_653557
+CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1,CHEMBL3912431
+O=c1c2ccccc2nc(-c2ccccc2)n1CCCN1CCOCC1,bindingdb_112289
+CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)C)ccc4Cl)n3c2c1,CHEMBL4168797
+O=C(O)c1ccc(-c2nn(Cc3c(Cl)ccc(C(F)(F)F)c3Cl)c3cccnc23)c(F)c1,bindingdb_651586
+O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccncc1,CHEMBL2441095
+CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O,CHEMBL4297675
+CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],CHEMBL1465144
+CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,bindingdb_831550
+O=c1[nH]c(=O)c(Cc2ccccc2)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1,CHEMBL2204039
+Cn1c(=O)[nH]c([C@H]2CC[C@@H](c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O,CHEMBL2204063
+N#Cc1cccc(S(=O)(=O)N2C[C@H](CN3C(=O)COC3=O)Oc3ccc(NC(=O)O[C@H]4CC5CCC4C5)cc32)c1,bindingdb_649142
+NC(=O)c1cccc(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc(Cl)c3)cc2)c1,CHEMBL3793397
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c(C1CCN(C(=O)C3C[C@@H]4CCC3C4)CC1)cn2C,bindingdb_645546
+CN1CC[C@@H](N2C(=O)S/C(=C\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@H](O)C1,CHEMBL4175927
+CC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1,CHEMBL390657
+C[C@](O)(Cn1cccn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,bindingdb_475933
+CCOc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,CHEMBL1707275
+Cc1nn(C(C)C)cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645305
+NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)NC3C(F)(F)F)o2)cc1,CHEMBL3234271
+CS(=O)(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651897
+O=C(Nc1ccc(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1,bindingdb_481621
+Cc1ccc2c(c1)c(=O)c1c3n2CCN(C(=O)CCl)C3CC1,CHEMBL1408395
+COc1ccc(Cn2c(-c3ccc4c(c3)CC(NS(=O)(=O)c3ccccc3)C4)cc3ccccc32)cc1,bindingdb_107858
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)nc1,CHEMBL206426
+COc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1,CHEMBL4095078
+Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(CCO)CC3)c1Cl)n2C,bindingdb_649711
+CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc2c(c1)OCCO2,bindingdb_1702
+COc1cccc(O)c1C(CC(=O)N1CCCC(C)C1)c1ccc2c(c1)OCO2,CHEMBL2326409
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C#N)c1)C[C@H](CO)O2,bindingdb_647613
+O=S1(=O)[C@@H](c2ccccc2)CC[C@H](C(F)F)N1Cc1ccc(N2CCC(n3cnnc3)CC2)cc1F,CHEMBL3634612
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_654169
+Cn1nc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)cc(C(C)(C)O)c1=O,bindingdb_965669
+CC[C@H]1c2ncc(C(=O)N[C@@H](CO)c3ccc(S(C)(=O)=O)cc3)cc2CN1C[C@H]1CC[C@H](C(F)(F)F)CC1,bindingdb_270725
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(C(F)(F)F)cc2C#N)[C@H]3C(C)C)cc1,bindingdb_270924
+C/C(=N/OCc1ccc(Br)cc1)c1ccccn1,bindingdb_999798
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc3c2OC(F)(F)O3)c(F)c1,bindingdb_270521
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccccc1)C(=O)CO,bindingdb_963232
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)C4CCCCC4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018342
+CC(C)(C)c1nnc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)s1,bindingdb_112288
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1cnc(O)nc1,bindingdb_649826
+Cc1cccc(N(C)c2cc(Cl)nc(SCC(=O)O)n2)c1C,CHEMBL44078
+CCOC(=O)C1=CN(C(=O)c2ccc3c(c2)OC(F)(F)O3)CC(C)(C)c2cn[nH]c21,bindingdb_1018910
+C[C@]1(c2ccc(F)cc2)CN(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_650338
+CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1,bindingdb_91255
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccsc1,CHEMBL310570
+C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)N1c1ccc(C(=O)O)c(F)c1,bindingdb_1017767
+Cc1c(OCCNCCC(F)F)ccc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O,bindingdb_400917
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1ccc2ccccc2n1,CHEMBL2023614
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(COc4ccc(Cl)cc4)oc3C)ccc21,CHEMBL371764
+Cc1cccc(C)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(C)cc(C(=O)O)cc2s1,bindingdb_1017470
+O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl,CHEMBL3982227
+O=C(NCc1ccccc1)N1C[C@@H](Cc2ccccc2)[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_649133
+CC1(C)C=Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,bindingdb_475770
+CCCCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(CC(CC)C(=O)O)cc1,CHEMBL1813199
+Cc1nn(C)c2ncc(C(=O)Nc3ccc(Br)cc3)c(Cl)c12,bindingdb_168444
+CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1,bindingdb_539816
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2c1,bindingdb_54885
+Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc(C)c1/C=C/c1cccc(C(=O)O)c1,CHEMBL319861
+O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCCCCC1,CHEMBL1560367
+CC(C)(C)NC(=O)N1C[C@H](c2ccccc2)[C@](C)(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_647324
+COc1nc2ccc([C@@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,5w4v
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2cccc3cnccc23)c(C)c1,CHEMBL3261167
+CCC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL230063
+Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl,bindingdb_1026133
+O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21,CHEMBL1668240
+c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1,CHEMBL200719
+C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O,bindingdb_402243
+CCn1cc(S(=O)(=O)N2C[C@@H](CC(C)(C)C#N)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(Cl)n1,bindingdb_647694
+CS(=O)(=O)c1cc(C#N)ccc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CHEMBL3092200
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263798
+NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1,bindingdb_988858
+[C-]#[N+]c1ccc(N2C(=O)C3(CCN(C)CC3)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F,bindingdb_475613
+COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1,CHEMBL3605923
+CCS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL1098831
+CC(C)C[C@@H](c1nc2ccc(C(=O)O)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O,CHEMBL4072074
+O=c1[nH]nc(Cc2ccccc2[N+](=O)[O-])c2ccccc12,CHEMBL3622578
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)c1ccc(Cl)s1)O2)C(F)(F)F,bindingdb_650918
+Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21,CHEMBL370282
+CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@H]2O)c1F,bindingdb_988768
+CC(C)Oc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl,CHEMBL3596628
+CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2,CHEMBL3126944
+CS(=O)(=O)c1cccc(N2CCN(C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)[C@@H](c3ccccc3)C2)c1,bindingdb_1130890
+CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(O)cc1,CHEMBL202499
+O=C(Nc1ccncc1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_652536
+Cc1cc(Nc2ccc(Br)cc2)n2nc(C)nc2n1,bindingdb_91248
+O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1,bindingdb_650597
+CC(C)(COc1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(Cl)c2)C3)nc1)n1cnnn1,bindingdb_475625
+O=C(c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,CHEMBL362020
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC(=O)Nc4ccc(C(N)=O)c(O)c4)cc3)C[C@@]21C,CHEMBL509832
+Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)cc1,CHEMBL2316559
+c1ccc(SCc2nc3ccccc3s2)nc1,bindingdb_672367
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(F)c3)c(F)c2)CC1,CHEMBL3581534
+C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1,bindingdb_539789
+Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)c(C)c1,CHEMBL4162387
+C/C(=C\c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CHEMBL92926
+CCOC(=O)C1=C(C(CC)CC)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-],CHEMBL248660
+COc1ccc(CSc2nnc3[nH]c(=O)cc(N)n23)cc1,bindingdb_672580
+Oc1ccc2c(c1F)OCCC(c1ccc3[nH]ccc3c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401668
+COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C,bindingdb_1000087
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)cc(F)c2O1,bindingdb_647974
+Cc1cnc(-c2ccc(Cl)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002172
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)[C@@H](O)Cc1c[nH]cn1,bindingdb_648241
+Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c2c1-c1cc(Cl)ccc1OC2,CHEMBL4297626
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ncc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1182920
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1,CHEMBL4074192
+Cc1cc(OCc2c(-c3cc[nH]c(=O)c3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,CHEMBL513149
+CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1,CHEMBL1593395
+Cc1ccc(NC(=S)NC(=O)C2CCCC2)c(Br)c1,bindingdb_999886
+N#C/C(=C(/c1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1,CHEMBL3990980
+CCCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,bindingdb_958487
+Cc1cc(C)cc(OCc2nc3cc(Br)c[nH]c-3n2)c1,CHEMBL1621675
+CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12,bindingdb_430667
+COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)c(C(F)(F)F)n1,bindingdb_401115
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NCCC(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1183692
+CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)s1,CHEMBL3094388
+Cc1csc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)n1,CHEMBL3193997
+CSc1nc(NCc2ccncc2)c(C(=O)O)c(SCc2ccccc2)n1,CHEMBL1172962
+COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCCC3)cc2)c(=O)c2cc(OC)ccc12,CHEMBL3827286
+C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N3CCC[C@@H]3C(N)=O)c2)c1)c1ccc2c(c1)OCCO2,CHEMBL4070346
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO,bindingdb_404132
+CC(Cc1ccc(O)cn1)c1ccc(O)cc1,CHEMBL539220
+COc1ccc2c(c1)c(Cc1ccc(OCC(=O)O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,CHEMBL178562
+O=C(O)[C@@H]1CCN(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(F)c23)C[C@H]1O,bindingdb_647339
+O=C(O)c1ccc(-c2nn(Cc3c(F)ccc(Cl)c3Cl)c3cccnc23)c(F)c1,bindingdb_649820
+CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc12,bindingdb_402077
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C3(O)CC3)n2)c1)C12CC(F)(C1)C2,bindingdb_1018377
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc3nccn23)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_655071
+N[C@@H]1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_654662
+CC(C)(CO)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL2147566
+CC(C)(CC(O)(Cc1cc(O)cc(O)c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL438260
+CCN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2s1,CHEMBL4090489
+CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCCO)ccc1N1CCCC1,CHEMBL3953756
+CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1,bindingdb_292646
+NCc1ccnc(-c2ccc3c(-c4ccc(C(=O)O)cc4)nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)c1,bindingdb_655063
+CC(C)(C)OC(=O)N1CCOc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4CCC3)cc21,bindingdb_403820
+O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]2O[C@@H]2C1,bindingdb_652824
+Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1088631
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F,bindingdb_1183471
+Cc1c(Br)cc(C(=O)NCc2ccco2)c(C)c1C,CHEMBL1556511
+COc1ccc(-c2ccc(CN(C(=O)CC(C)(C)C)c3nccc4cc(/C=C/C(=O)O)ccc34)cc2)cc1C,bindingdb_1018333
+Oc1ccc(-c2ccsc2-c2ccc(O)cc2Cl)c(Cl)c1,CHEMBL2332573
+CCN(Cc1cscn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL386174
+COC(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)CC2C(C)(C)C)nc1C(F)(F)F,bindingdb_1130756
+CC[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,CHEMBL390005
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)NCC3CCCO3)c1Cl)n2C,bindingdb_647629
+CCn1nc(C(=O)NC[C@]2(C#N)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183668
+CC(C)(O)CCNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)c(-c2cnc(NC3CCCCC3)cc2C(F)(F)F)s1,bindingdb_1182794
+C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(C#N)cc2)C1=O,CHEMBL2407684
+CCCC[C@H]1CN(CCCC[C@H]2CNC(CCC)=N2)C(=S)N1CCc1ccccc1,CHEMBL4093723
+Cc1cccc(C(N)=NOC(=O)c2ccco2)c1,bindingdb_1000283
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(/C=C/c2ccccc2)c1,CHEMBL574070
+O=C(c1ccc(O)cc1O)c1ccc(O)cc1O,4mgc
+O=C(O)[C@H]1CCCN(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_652708
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(F)cc2)=N1,CHEMBL415534
+O=C(O)C12CCC(C(=O)N3CCC4(S(=O)(=O)c5ccccn5)c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5CCC34)(CC1)CC2,bindingdb_653332
+COc1cccc2c1-c1ccc3c(c1C(c1cc(C)cc(C)c1)O2)C(C)=CC(C)(C)N3,CHEMBL330638
+Oc1ccc(/C=C/c2ccccc2)cc1,CHEMBL195624
+CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)c2)C1(C)C,CHEMBL1916238
+CCCCCCSc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl,CHEMBL560569
+Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1,CHEMBL191974
+O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1,bindingdb_476079
+Cc1cc(S(=O)(=O)[C@@]2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(C(=O)C34CCC(C(=O)O)(CC3)CC4)C2)ccc1F,bindingdb_646826
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018032
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCCC(F)(F)F)cc1OC(F)F,bindingdb_1183884
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnn(CCC#N)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_652177
+Cc1cc(C(F)(F)F)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(O)C4)c3Cl)nc12,bindingdb_54900
+CN(Cc1cccc(Cl)c1Cl)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F,bindingdb_989021
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652519
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(OCC(F)(F)F)n1,bindingdb_652885
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1c(F)cc(CC(C)C(F)(F)F)cc1F,bindingdb_1183044
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,CHEMBL267476
+COCCN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1,bindingdb_206554
+O=C(NS(=O)(=O)C1CC1)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)sc2c1,bindingdb_1018655
+Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(C)c2=O)cc1C,CHEMBL344282
+COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCN(C(C)=O)CC3)cc2F)C2CCC2)c(OC)c1,bindingdb_653003
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(Cl)c1)C[C@H](CNC(=O)C1CCCOC1)O2)C(F)(F)F,bindingdb_650331
+COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(C1CCCCC1)O2,CHEMBL303071
+C(=Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2,bindingdb_69243
+CC(C)O[C@H](Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O,CHEMBL2237302
+COc1ccccc1C=c1sc2nc(-c3ccco3)nn2c1=O,bindingdb_401947
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2CN(C(=O)OCC(C)C)CCC2C(=O)O)c1,CHEMBL258212
+C/C(=C\C(=O)c1ccccc1)NC(Cc1ccc(OCCOc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O,CHEMBL3355864
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNS(=O)(=O)c4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,CHEMBL4166913
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(C)C)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271046
+COc1ccccc1C1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21,CHEMBL63431
+O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(F)cc3C(F)(F)F)sc3cc(O)ccc23)cc1,CHEMBL4069567
+CCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1,bindingdb_1026193
+CCCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CHEMBL1098027
+Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc(C)c1/C=C/c1ccc(C(=O)O)cc1,CHEMBL319606
+COc1cc(S(=O)(=O)N2C[C@H](CCC(=O)O)Oc3ccc(NC(=O)O[C@@H](C(C)(C)C)C(F)(F)F)cc32)ccc1F,bindingdb_646061
+Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[nH]5)ccc43)c2n1,CHEMBL1801735
+Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1,bindingdb_584041
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(C[C@@H]2CC[C@H](C(F)(F)F)CO2)[C@H]3C(C)C)cc1,bindingdb_270677
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(C#N)nc1,bindingdb_653050
+O=S(=O)(Cc1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL3094372
+O=C1NC(=O)C2(CCN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2)N1,bindingdb_655060
+O=C(O)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_651620
+Cc1ccc2nc(-c3cc(Cl)ccn3)c(NCc3ccccc3)n2c1,CHEMBL4078767
+CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br,bindingdb_481618
+COC(=O)C(C)(C)O/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4c(C)c[nH]c34)c(F)c21,CHEMBL1762207
+C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@@H](NCc4ccccc4)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1256590
+Clc1ccc(CN(Cc2cccnc2)Cc2nccs2)cc1,CHEMBL2381212
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL104347
+CCc1cc(CN2CC3(C2)CN(S(C)(=O)=O)C3)ccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1CC,bindingdb_206268
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(-c3cncnc3)c2)cc1,CHEMBL3609404
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCNC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019004
+Cn1ccnc1C1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1,bindingdb_112254
+NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2,bindingdb_1000123
+OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1F)C(F)(F)F,CHEMBL1094206
+O=C(NS(=O)(=O)CC1CC1)c1ccc(N2C3CCC2CC(OC(=O)c2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1,bindingdb_1018874
+O=C(NC1CCCCC1)[C@H](C1CCOCC1)n1c(-c2ccc(-n3cccn3)nc2)nc2cc(F)c(F)cc21,bindingdb_846322
+CC(C)Oc1cc(CCC(=O)O)n(Cc2ccc(Cl)cc2Cl)n1,CHEMBL1933820
+Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(Br)cc3)cc12,CHEMBL3695765
+CCC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)O)CCC1,CHEMBL46398
+CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C(F)(F)F)c23)CC1(C)C,bindingdb_647830
+Cc1cc(O[C@@H](Cc2ccccc2)C(=O)O)ccc1-c1ccccc1,CHEMBL2312708
+CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)ccc1N1CCCC1,CHEMBL3916016
+O=C(O)COc1ccc(SCc2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)c2c1CCC2,CHEMBL233177
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@]2(C)COC)cc1F,CHEMBL3588962
+Cc1cc2nc(-c3ccc(SCc4ccc(C(=O)O)cc4)nc3)[nH]c2cc1C,bindingdb_672636
+Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc([C@H](C)[C@H](C)O)n1-c1ccc(F)cc1C(F)(F)F,CHEMBL4088459
+CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O,CHEMBL203621
+O=C1CCN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)N1,bindingdb_651557
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCCOCCOCCNC(=O)CCC6=[N+]7C(=Cc8c(C)cc(C)n8[B-]7(F)F)C=C6)c5)c4s3)C[C@H]2C)nc1,CHEMBL4105399
+O=C1NC(=O)C(Cc2ccc(OCC(=O)c3ccccc3)cc2)S1,CHEMBL4280830
+CCC(=O)Oc1ccc(C(CC)C(CC)c2ccc(OC(=O)CC)cc2)cc1,bindingdb_1016140
+CC(C)C[C@]1(CCO)C[C@H](CNC(=O)COCCOCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)ON1Cc1ccccc1,CHEMBL503957
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_402382
+C/C(=C\c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CCC(=O)O)O2)c1c(F)cccc1Cl,CHEMBL4162171
+CNS(=O)(=O)c1cccc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1,CHEMBL3793232
+COC(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)nc1,bindingdb_123887
+CC[C@H](C)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CHEMBL3099430
+O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CC1)O2)OCC(Cl)(Cl)Cl,bindingdb_651033
+CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4nc(C)cc(C(F)(F)F)n4)ccc1c23,CHEMBL3234262
+O=Cc1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O,CHEMBL1604500
+N#Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1,CHEMBL2338479
+Cc1cc(C)c(S(=O)(=O)N(C)C(C)Cc2c[nH]c3ccccc23)c(C)c1,CHEMBL389152
+O=C(O)CCCOc1ccc(/C(=C/CCc2ccccc2)c2cccc(O)c2)cc1,CHEMBL2112471
+C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL1412489
+CC(=O)NC(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CCS(=O)(=O)CC1,bindingdb_651316
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2cccc(OC)c2)cc1,bindingdb_270533
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNS(=O)(=O)Cc1ccccn1)O2)C(F)(F)F,bindingdb_650131
+C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Cc6ccccc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,CHEMBL1834533
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1184005
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnn(C3COC3)c2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646510
+CCOCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(S(N)(=O)=O)ccc21,bindingdb_1026127
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC1CC1,bindingdb_1184131
+O=C([C@H]1C[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CC(O)C1,bindingdb_653608
+COc1nccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCC3)c2)n1,bindingdb_1018776
+COc1ccc(Nc2nccc(-c3cccc(N)c3)n2)cc1,bindingdb_999896
+CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-3,CHEMBL322575
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,CHEMBL562445
+O=C(C1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc3cc(F)ccc3o2)c1,bindingdb_1018329
+CCN1C[C@@H](N(Cc2cc(Cl)ccc2Cl)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL565022
+COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,CHEMBL3972220
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(=O)C1CCN1)O2)C(F)(F)F,bindingdb_645406
+CC(C)N1C[C@@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL559327
+CC1(C)CCC(C)(C)c2cc(/C(=N/NS(C)(=O)=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,CHEMBL309469
+Cc1nc(-c2ccc(Cl)cc2)sc1NC(=O)C1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934468
+Cc1c(C(C)(O)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3819041
+C[C@H](CCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@@]21C,CHEMBL207888
+CCc1cc(CC)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1,CHEMBL3114125
+COc1cc(NCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F,bindingdb_403877
+CC(C)S(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1,CHEMBL593739
+COC(=O)c1cc(F)c(-c2nn(Cc3c(C)cccc3C(F)(F)F)c3cccc(F)c23)cc1O,bindingdb_652695
+CC1(C(=O)Nc2nccs2)CC2(Cl)c3ccccc3C1c1ccccc12,CHEMBL514636
+O=C(C1CCS(=O)(=O)CC1)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3NCC12,bindingdb_647255
+C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1,CHEMBL3651966
+COc1ccc(C2C=C(c3ccc(Cl)cc3)Nc3nc(NC(C)=O)nn32)cc1,CHEMBL1383151
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C5(C(F)(F)F)CC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263691
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NC4CCCC4O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263625
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3ccc(NS(C)(=O)=O)cn3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649877
+COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12,CHEMBL431348
+Cc1cc([C@H]2CC[C@H](CN(c3cccc(-c4cnn(C5CC5)c4)c3)C(=O)[C@H]3CC[C@H](O)CC3)CC2)ccc1O,bindingdb_1017376
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3Cc2nc(C)cc(C(F)(F)F)n2)cc1,bindingdb_270594
+Cc1ccc(F)cc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1,CHEMBL4167873
+CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(S(C)(=N)=O)c2)cc1,CHEMBL4226140
+Oc1ccc2c(c1)CCC1(CCCC1)[C@@H]2c1ccc(OCCN2CC(CF)C2)cc1,bindingdb_961236
+CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccc(C#N)c1,CHEMBL1835816
+O=C(O)C1CC2(C1)CC(C(=O)N1CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC13)C2,bindingdb_649202
+CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)C(=O)O,CHEMBL3318040
+COCCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC,bindingdb_1184112
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F,bindingdb_1183320
+CC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL197552
+N#Cc1cc(-c2c(F)cc(O)cc2F)cc2ccc(O)cc12,CHEMBL426641
+COc1cc(OCCNCCCF)ncc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC1(F)COC1,bindingdb_403655
+CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(OC(F)(F)F)cc3)c3ccccc32)cc1,CHEMBL196428
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N4CCN(C(=O)CO)CC4)cc3)C[C@@]21C,bindingdb_168539
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1OC(F)(F)F,bindingdb_1184391
+C[C@@H](c1coc(-c2cncc([C@@]34CC[C@@H](c5cc(-c6c(F)cccc6F)nnc53)C4(C)C)n2)n1)S(C)(=O)=O,bindingdb_645450
+CCOc1ccc(OCc2cccc(C(=O)O)c2)cc1,bindingdb_760390
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(-n5cnnn5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018414
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ncccn1,bindingdb_55014
+[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OS(=O)(=O)[O-])cc3)o2)[C@H](C)O)c(C)c1Cl,bindingdb_506272
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4[N+](=O)[O-])CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019159
+CC(O)(COC(=O)c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,CHEMBL414869
+C[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)[C@@H](F)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138327
+CC(C)(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C[C@@H](F)C(C)(C)O)C2=O,bindingdb_1127462
+O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3c2CCCC3)cc1,bindingdb_998334
+CC1(O)CCN(C(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_646720
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CHEMBL4160181
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2CO)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)F)s1,bindingdb_649821
+Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1,bindingdb_539968
+COc1ccc(CNC(=O)c2cccc3c(-c4cccnc4)coc23)cc1OC,bindingdb_539991
+Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)cc2c1,bindingdb_1183409
+CC(C)[C@H]1c2ncc(C(=O)NCC(F)(F)F)cc2CN1Cc1ccc(C(F)(F)F)cc1,bindingdb_123952
+CCNC(=O)CN1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653993
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(CC(C)(C)C(F)(F)F)c(OC)c1,bindingdb_1182739
+Cc1ccc(Nc2nc(-c3ccccc3)cs2)nc1,bindingdb_1000033
+Cc1ccc(N=Nc2c(C)[nH]n(C(N)=S)c2=O)cc1C,bindingdb_999599
+CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)cc1,bindingdb_649140
+C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@@]34C=CCO4)[C@@H]21,CHEMBL3692355
+O=C(O)c1ccc(CNC(=O)c2cccc(-c3ccccc3)c2)cc1,CHEMBL4095466
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cccc(S(N)(=O)=O)c1,CHEMBL1289999
+CCCC[C@@]12CCC(=O)C(Br)=C1c1ccc3[nH]nnc3c1C2,CHEMBL215802
+Cn1ccnc1SCC(=O)c1c[nH]c2ccccc12,bindingdb_672466
+CC1(C)OC(S)=Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL25469
+Cc1noc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)n1,bindingdb_672549
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(CC3CC3)c2=O)nc1,bindingdb_651910
+CN(C)c1cc(Cl)c(C(=O)Nc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1,CHEMBL3613434
+O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1ccccc1[N+](=O)[O-],CHEMBL458774
+O=C(NCc1nn[nH]n1)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1,bindingdb_1018774
+Cc1ccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,CHEMBL237519
+Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(CC(=O)O)cc1,CHEMBL3899056
+c1ccc2c3c([nH]c2c1)CNCC3,CHEMBL269236
+CN1C(=O)/C(=C/C=C2\SCCN2C)N(C)C1=S,bindingdb_999825
+Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2(C)C,CHEMBL1644755
+CN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1,CHEMBL1423062
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(NC(C(F)(F)F)C(F)(F)F)cc1OC,bindingdb_1184262
+Cn1c(C(=O)NCc2ccco2)cc2c(=O)[nH]c3ccccc3c21,bindingdb_112294
+CCCCCCOc1ccc2cc(C(=O)CCN(C)C)ccc2c1,CHEMBL538150
+CCc1nc(OC(C)C)c(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)s1,bindingdb_651162
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1OC,CHEMBL551184
+O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I,bindingdb_999689
+COc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL286029
+CN1CC2(C)CN(C(c3ccccc3)c3ccccc3)CC(C)(C1)C2O,CHEMBL1574240
+CC(C)c1oc(=O)n(CCc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL3357416
+COc1ccc(C)cc1N=C(N)Nc1nc(C)cc(C)n1,bindingdb_91289
+CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1O,CHEMBL3613277
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNS(=O)(=O)Cc2ccccc2)c1,CHEMBL219773
+CCN(CC(O)(CNc1nc(C)nc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,CHEMBL562337
+COc1nc2ccc([C@](O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1OCC1(C)COC1,bindingdb_654470
+COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NC1CC1,bindingdb_653624
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ccc(O)cc4)ccc23)cc1,bindingdb_55057
+COc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc(F)c1F,CHEMBL313062
+Fc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1,CHEMBL4063381
+CCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1,CHEMBL2403350
+N#CCCC(Cc1ccnc(NC(N)=O)c1)c1ccccc1,CHEMBL3643679
+O=C(O)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1,bindingdb_1018915
+CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,bindingdb_35508
+O=C1CC[C@@]2(CC3CC3)Cc3c(ccc4[nH]ncc34)C2=C1Br,CHEMBL211666
+CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,CHEMBL193836
+CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)N(C)C)c(C(F)(F)F)n1,CHEMBL3673693
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1)O2,bindingdb_651094
+C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)OC(=O)/C=C/c1ccc(O)c(OC)c1,CHEMBL3358036
+O=C(O)/C=C/c1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL4090303
+Cc1cc(S(=O)(=O)N2C[C@@H](CC3(C(=O)O)CC3)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_646300
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H](CO)c1cccc(CN2CCOCC2)c1,bindingdb_647096
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC3(S(=O)(=O)Cc4ccccc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC1,bindingdb_653324
+COc1ccc2c(c1)C1CC1(C(=O)N1C3CNCC1C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,CHEMBL3126657
+C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CC2)OCCCO3)cc1F,bindingdb_648901
+O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccncc1)c1cc2ccccc2o1,CHEMBL1423531
+CC(C)c1cc(Oc2c(I)cc(CP(=O)(O)O)cc2I)ccc1O,CHEMBL512383
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1Br,CHEMBL559716
+CC1=CN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1,bindingdb_999808
+CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=S)N1CCCCO,CHEMBL419767
+COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)C2CCCCC2)c(Cl)n1,CHEMBL1668262
+COc1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1,bindingdb_55559
+CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cccc(C(=O)O)c3c2)cc1,bindingdb_1019145
+CCCCN(Cc1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CHEMBL494073
+CC[C@]1(O)CC2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,bindingdb_760331
+COc1ccc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc1,CHEMBL2031856
+Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)c(C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1)cn2C,bindingdb_654416
+CN1C(=O)[C@H](F)C[C@H]1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649488
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](Cn1ccnn1)O2,bindingdb_646606
+CC(C)(C)OC(=O)N1CCc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_646428
+O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1,CHEMBL205398
+NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1,CHEMBL1538325
+CCN(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1,CHEMBL481355
+CC(=O)N[C@@H](C)[C@@H]1Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc2N(S(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1C,bindingdb_645221
+Cc1cccc(OCCNC(=O)c2cncc(Br)c2)c1,bindingdb_672423
+C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC[C@H](C)NCCCF)cc2)N1CC1(F)COC1,bindingdb_400988
+C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB01481
+CN(C)c1ccc(CN2CCn3nnnc3C2c2cc(F)ccc2F)cc1,bindingdb_653596
+COCCCOc1nc(C(=O)O)cc2ccc(/C=C/C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)cc12,bindingdb_1018707
+CC1(C)OC(S)=Nc2ccc(-c3ccccc3F)cc21,CHEMBL285872
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(CCC(N)=O)nc3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_649164
+O=C1Nc2ccccc2C2(CCN(C(=O)C[C@@H]3CCc4cc(C(O)(C(F)(F)F)C(F)(F)F)ccc4N3S(=O)(=O)c3ccc(F)cc3)CC2)O1,bindingdb_652747
+Cc1cc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,CHEMBL470322
+C[C@]1(c2ccccc2)CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)cc1,bindingdb_107878
+CC(C)n1nc(NC(=O)[C@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2CC3CC3C2)c1,CHEMBL3598187
+Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2CN(C(=O)OCC(C)C)CCC2C(=O)O)c1,CHEMBL258428
+O=C(O)c1cccc(OCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1018132
+COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,CHEMBL1082864
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)N4CCC[C@@H](CO)C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263608
+Fc1cc(-c2nn[nH]n2)cc2sc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc12,bindingdb_1018532
+CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C)s3)oc2C)cc1)C(=O)O,CHEMBL1813011
+Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(C(=O)O)CC3)c2Cl)cc2c(F)cc(C(F)(F)F)cc21,bindingdb_206696
+CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1,bindingdb_658465
+Cc1c(-c2ccc3c(c2)OCO3)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,CHEMBL3657184
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)cn1-c1ccc(C[C@@H](C)C(F)(F)F)cc1OC,bindingdb_1182865
+CN(CP(=O)(O)CN(C)S(C)(=O)=O)S(C)(=O)=O,bindingdb_112290
+COc1cc2oc(=O)ccc2cc1-c1ccccc1,CHEMBL1835821
+COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccc(OC)cc3)c2)cc1,CHEMBL211047
+C[C@H]1CCCN1C(=O)c1nc(C(=O)NC[C@@H](O)C(C)(C)O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F,bindingdb_1184128
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)Nc4ccccc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017877
+CCCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O,bindingdb_830854
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C#CCOC4CCCCO4)ccc23)cc1,bindingdb_654379
+COC(=O)N1CC[C@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)C1,CHEMBL592510
+CC1(C)[C@H]2CC[C@]1(c1cccc(-c3cnc(NS(C)(=O)=O)c(C#N)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_655069
+COc1ccccc1-c1ccc2c(c1)C(C(C)OCCCc1ccccc1)=CC(C)(C)N2,CHEMBL228932
+Cc1c(N2C(=O)N(CCCOc3ccc(-c4cc[n+]([O-])cc4)cc3F)C(C)(C)C2=O)ccc(C#N)c1Cl,bindingdb_511813
+CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(-c2cnc(NC(C3CC3)C3CC3)cc2C(F)F)s1,bindingdb_1183750
+COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)N(C)C,CHEMBL3263762
+O=C(N1CCC(O)(C(F)(F)F)CC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_645539
+O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1,bindingdb_112192
+O=C(C1CCS(=O)(=O)C1)N1CCC2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,bindingdb_653787
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)cc1,bindingdb_206350
+CCOC(=O)C(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)c1ccccc1,CHEMBL3763278
+Cc1cc(C#N)nc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_646881
+Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,CHEMBL27759
+CC(C)CN(Cc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,bindingdb_652490
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183975
+Cc1ccc2onc(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)c2c1,CHEMBL1946572
+CC(C)c1onc(COc2ccccc2)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1,CHEMBL466248
+Cc1c(Oc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12,CHEMBL371341
+Cc1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_652711
+Cn1nc(C(=O)NS(=O)(=O)C2CC2)cc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1,bindingdb_1018160
+CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN(C)C)c(Cl)c1,CHEMBL561446
+CCN1CCS/C1=C\C=C\C1=[N+](CC)CCS1,bindingdb_539851
+CC(C)[C@H]1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1,CHEMBL427324
+CS(=O)(=O)c1ccc(C#CC(O)(c2ccc(N(CCC(F)(F)F)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1,CHEMBL2070462
+CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OC)c4ccccc4)ccc32)cc1)C(=O)O,CHEMBL565198
+Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Cl)=C2)c(C)c1,CHEMBL3199523
+CNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCO1)C2C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,bindingdb_645790
+CCCOc1ccc(C[C@H](CC2CCCCC2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CHEMBL2158961
+CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O,CHEMBL591628
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C(C)(C)OC)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_270623
+Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F,CHEMBL191808
+CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(OC)c2)c1C,bindingdb_999803
+CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1,bindingdb_846229
+CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1=O,bindingdb_403864
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C2CC2)C2CC2)cc1C(F)F,bindingdb_1183819
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CHEMBL1424468
+CCS(=O)(=O)N1CCC(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n([C@H](C)C3CC3)c2=O)CC1,bindingdb_647998
+SC1=Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCCC2,CHEMBL24089
+CCn1c(NN)nc2sc3c(c2c1=O)CCC3,CHEMBL1608311
+CC(C)(C)OC(=O)N1CC=C(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)CC1,bindingdb_401657
+NCC#Cc1ccc2c(-c3ccc(C(=O)O)cc3F)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1,bindingdb_655057
+O=C(NCc1ccccc1)N1C[C@@H](Cc2cccc3ccccc23)[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_647592
+O=S1(=O)[C@@H](c2ccccc2)CCCCN1Cc1ccc(N2C[C@@H]3[C@H](C2)[C@H]3n2cnnc2)cc1F,bindingdb_650255
+C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1csc2ccccc12,CHEMBL233789
+C[C@]12O[C@@](C)(C[C@H]1NS(C)(=O)=O)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL3623123
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N2CCC(O)CC2)C3)c(F)c1,bindingdb_649705
+CCN1C[C@@H](N(Cc2cc(F)ccc2Cl)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL552023
+Oc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1,CHEMBL222454
+C=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,bindingdb_584459
+Cc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNS(C)(=O)=O)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_653352
+C=Cc1ccc2c(c1)c(=O)oc1c(C)c(O)ccc12,CHEMBL206440
+Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)c1,CHEMBL3398425
+CC(=O)Nc1cc(-c2cccc(F)c2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12,bindingdb_292538
+COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)N[C@H]2CC[C@H](O)CC2)C2CCCCC2)c(OC)n1,bindingdb_846224
+COc1cc(-c2cccc(N(CC34CCC(c5cc(C(F)(F)F)ccn5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)ccn1,bindingdb_1018743
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_645990
+COC[C@H]1CCCN1C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1,bindingdb_645550
+O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_647172
+Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1,bindingdb_1000336
+CS(=O)(=O)N1CC(O)(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_649242
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3Cl)cc12,CHEMBL3699377
+Cn1nnnc1/C=C/c1ccc(C2(C)c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1,CHEMBL4077512
+Cn1cnc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc21,bindingdb_417336
+O=C1C(O)=C(Cc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc21,CHEMBL482524
+CC(C)(C)c1cc(C2=Cc3ccc(C(=O)O)cc3OC2)cc(C(C)(C)C)c1O,CHEMBL308170
+CCNc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1,CHEMBL250308
+O=C(C1CC1)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648165
+Cc1cc(OCc2c(-c3c(Cl)ccc(=O)n3C)noc2C(C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1,bindingdb_846295
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCc4ccccc4C(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017828
+COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1,CHEMBL575856
+O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(O)C1(O)CCOCC1,bindingdb_652687
+CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-],CHEMBL2349043
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2cccnc2s1,CHEMBL1940695
+Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]n1,bindingdb_672539
+CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1,CHEMBL220502
+O=C(O)c1cncc(OCC23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1017878
+COc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cnc(C)n3C)cc2c(Cl)c1CN1CCC(C(F)(F)F)CC1,bindingdb_653476
+COc1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccc([N+](=O)[O-])s2)cc1,CHEMBL2059543
+N#Cc1ccc(C23CC4CC(C2)CC(c2ccc(NC(=O)c5ccccc5)cc2)(C4)C3)cc1,CHEMBL3397785
+C[C@H](O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,CHEMBL502521
+C[C@]12CC[C@@H]3c4ccc(O)cc4C(O)[C@@H](Sc4ccc(Br)cc4)[C@H]3[C@@H]1CC[C@@H]2O,CHEMBL1627353
+CC(C)(O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_648784
+O=C(O)CC1CN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1,bindingdb_54953
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C1CCC1,bindingdb_1183770
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cncc(C3CC3)c1)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_653258
+O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)sc2c1,CHEMBL4062760
+CCOc1ccccc1C1C(C#N)=C(N)Nc2onc(-c3ccccc3)c21,CHEMBL1426255
+CC(C)[C@@H](C)[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL4104778
+CCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccnc2)cc1,bindingdb_112233
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccncc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018065
+O=C(CCl)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O,bindingdb_292590
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc3c(c1)CCO3)C[C@H](CCC(=O)O)O2)C(F)(F)F,bindingdb_651906
+CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2CN1Cc1ccc(Cl)cn1,bindingdb_1127511
+CC/C(=C(/c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1,CHEMBL3422052
+O=C(Cc1ccncc1)N1CC[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_651379
+Cc1ccc(CN2CCN(c3cccc(S(C)(=O)=O)c3)C[C@H]2c2ccccc2)cc1,bindingdb_108422
+Fc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1,CHEMBL520883
+Cc1cccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)c1,CHEMBL566575
+C[C@]12Cc3cnn(C4CCOCC4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSc1nc2ccccc2s1,CHEMBL2023235
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cnc3ccccn23)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_647407
+Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@H]2C)ccc(C#N)c1Cl,CHEMBL229862
+CC1=C(C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)O)CCC1,CHEMBL122823
+[NH-]C(c1ccccn1)=[N+](N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1,bindingdb_481637
+CCS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2ccc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]3C(C)C)cc1,bindingdb_271252
+O=C1C(c2ccc(O)cc2)=C(Br)c2ccc(O)cc21,CHEMBL190467
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1,CHEMBL3815014
+Cn1c2c(c3cc(F)ccc31)CSc1ccccc1-2,CHEMBL208088
+COc1nc2ccc([C@@](O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC(C)C,bindingdb_652112
+CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)NOC,bindingdb_949598
+Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1,bindingdb_417743
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1,bindingdb_953772
+Cc1cc(C(F)(F)F)ccc1CN(c1ncnc(NCC2CCN(CC(N)=O)CC2)c1F)C1CC1,bindingdb_988886
+CCc1nc(C(=O)NC[C@]2(O)CC[C@@H](C)CC2)c(C)n1-c1ccc(CC(C(F)(F)F)C(F)(F)F)c(F)c1,bindingdb_1183106
+CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)C)cc1OC(F)F,bindingdb_1182967
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NCC(C)(C)C(F)(F)F)cc1C(F)(F)F,bindingdb_1183509
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(OC)c4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_263863
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(Cl)ccn3)cc2)cc1,CHEMBL4286603
+Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(C4CC4)CCCc4ccccc43)C(F)(F)F)cc12,CHEMBL386448
+O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2(F)CC2)c(F)c1,bindingdb_1018387
+CCNS(=O)(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C)ccc2O1,bindingdb_648709
+c1ccc(-c2nnc(-c3ccccn3)s2)nc1,bindingdb_999970
+CC(=O)N1CCN(C(=O)N2CC[C@](c3ccc(C(C)(OCc4c(F)cccc4F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)CC1,bindingdb_649147
+C=C(C)c1nnc(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)o1,bindingdb_645184
+Cc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1184058
+Cc1nn(C[C@@H](O)CO)cc1-c1cccc([C@@]23CC[C@@H](c4cc(-c5c(F)cccc5F)nnc42)C3(C)C)n1,bindingdb_649294
+CC#Cc1cc(O)cc2ccc(-c3ccc(O)c(F)c3)cc12,CHEMBL192849
+CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCOCC3)c2CO1,bindingdb_1026174
+Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)c1,CHEMBL1528124
+CCOc1ccc2nc(SC(C)(C)C(=O)O)sc2c1,CHEMBL583065
+Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)[se]2)c(F)c1,CHEMBL4290408
+Cc1cc(C)c(S(=O)(=O)N[C@H](CNc2cccc3c2cnn3-c2ccc(F)cc2)C(C)C)c(C)c1,CHEMBL3261416
+CC(=O)n1cc(C=NNC(=O)c2sc(C)nc2C)c2ccccc21,bindingdb_91273
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC2CC(C(F)(F)F)C2)cc1OC,bindingdb_1183199
+Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(-c2ccccc2)c1,CHEMBL485939
+CC(C)(CC(O)(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL370624
+CC(=O)Oc1cc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)ccc1C(=O)O,bindingdb_998345
+O=C(Cc1ccncc1)N[C@H]1C[C@](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653440
+Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)F)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401116
+CC(C)(O)c1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(=O)NCCO)cc1,bindingdb_1054347
+CCO[C@H](Cc1ccc(OCC(=O)c2cccc(CO)c2)cc1)C(=O)NOC,bindingdb_949602
+O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(CO)ccc23)CC1,bindingdb_648711
+CC(C)(O)C(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C3CC3)nc2OCCO)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_645263
+CC(C)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1,CHEMBL3706880
+CCN(C[C@@]12CC[C@@H](/C(=C/C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1nc(C)co1,bindingdb_652853
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c3c2CCC(C(=O)N[C@H]2CCC[C@H]2O)C3)CC1,bindingdb_646234
+CCS(=O)(=O)c1ccc(CNC(=O)c2nc3c(s2)CN(Cc2ccc4c(c2)OC(F)(F)O4)[C@H]3C(C)C)nc1,bindingdb_270978
+C[C@@H](Oc1cc(Cn2c(=O)n(-c3noc4ccc(Cl)cc34)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O,CHEMBL1946754
+CC(C)(C)NS(=O)(=O)c1ccc(-c2oc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCCC2)c2ccncc12,bindingdb_647520
+CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1,CHEMBL316003
+Cc1cccc(C)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)O)cc1,bindingdb_1017808
+O=C(O)Cc1ccc(NC(=O)c2cccc(-c3cc(Cl)cc(Cl)c3)c2)cc1,CHEMBL4237322
+Cc1cc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)ccn1,CHEMBL4217859
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1ncc(Br)cn1,bindingdb_1000161
+Cc1c(NC(=O)OC(C)(C)C(F)(F)F)ccc2c1N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CO)O2,bindingdb_647337
+O=C(O)C1(c2noc(C34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)n2)CC1,bindingdb_1018723
+CC(=O)NC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_646010
+CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc4c(cnn4-c4ccc(F)cc4)c3)c(C(F)(F)F)c2)cc1,CHEMBL1083784
+COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c(OC)c1O,CHEMBL1210959
+Cc1c(NC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C(C)C3CC3)C[C@@H]1C)cn2C,bindingdb_646420
+Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NCC3,CHEMBL162503
+CN(c1c(Cl)cccc1Cl)c1nn(-c2ccc(C(=O)O)cc2)c2ccccc12,CHEMBL3972391
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3ccc(C#N)cc3Cl)cs2)cc1,CHEMBL4170027
+CC(C)(Oc1ccc(CN(CC(=O)Nc2ccc(F)cc2F)Cc2ccco2)cc1)C(=O)O,CHEMBL1084547
+NC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,CHEMBL4064926
+C[C@@H](C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@@H]1C(=O)O,CHEMBL3138042
+O=C(O)C1CN(C(=O)N2CC[C@](c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3ccc(F)cc3)C2)C1,bindingdb_645617
+CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,bindingdb_55653
+NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL476173
+COCC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1,bindingdb_647387
+CC(c1c(Cl)cccc1Cl)c1nc(C(C)(C)O)cn1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1F,CHEMBL3945820
+O=c1c2c(O)cc(O)cc2ncn1-c1cccc(O)c1,CHEMBL202738
+CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCOC3)cc1F,CHEMBL3589380
+CO[C@@H](Cc1ccc(C#CCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,CHEMBL181656
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC,bindingdb_1183498
+CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc(C2CC2)n3Cc2cccc3c2OC(F)(F)O3)cc1,bindingdb_271114
+CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2C(F)(F)F)cc1,CHEMBL4202808
+COC1(C(=O)N2Cc3cc(S(C)(=O)=O)ccc3C2C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)CC1,bindingdb_650248
+Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CCC3(C2)CS(=O)(=O)C3)cc1C(C)C,bindingdb_206464
+O=C(O)Cc1csc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)cc(Cl)c12,CHEMBL393765
+FC(F)(F)c1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1,CHEMBL361541
+C/C=C/[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C,CHEMBL196185
+O=C(NO)c1ccc(Cn2sc3ncccc3c2=O)cc1,bindingdb_953839
+CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(CO)c1ccccc1,CHEMBL385411
+N#Cc1ccc(C(O)(C2CC2)C(F)(F)F)cc1Cl,CHEMBL3818577
+O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc3ccccc3c2)s1,CHEMBL2059554
+O=S(=O)(CCCF)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F,bindingdb_257882
+COc1cc(/C=C/c2ccc(C3=C(c4ccc(O)cc4)C4CC(S(=O)(=O)Oc5cccc(OC)c5)C3O4)cc2)cc(OC)c1,CHEMBL4218435
+CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2F)CCC1=O,CHEMBL211358
+C=CC(C)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL46029
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCOc1ccc(-c2cc[n+]([O-])cc2)cc1,bindingdb_511783
+CCOC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc21,CHEMBL2316568
+Cc1csc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n12,CHEMBL1370637
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C(C)C)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC,bindingdb_1183949
+O=C(c1ccccc1)C1CCN(c2ncnc3sccc23)CC1,bindingdb_539939
+O=C(O)c1c(Oc2cccc(C(F)(F)F)c2)c2ccccc2n1-c1ccc(C(F)(F)F)cc1,CHEMBL194740
+N#Cc1cccc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1,CHEMBL1094527
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3cccc(Cl)c3)s2)cc1,CHEMBL3105682
+CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(c2)CN(CC(F)(F)F)[C@H]3Cc2ccccc2)cc1,bindingdb_270699
+CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F,CHEMBL559115
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DB00838
+C[C@H]1CN(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC[C@H]1n1cnnc1,bindingdb_647412
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)CC1,CHEMBL1464070
+Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1,bindingdb_539788
+O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1,CHEMBL3740264
+Cn1cc(C2CCN(C(=O)CC3CC3)CC2)c2c(C(F)(F)F)c(NC(=O)c3cccc(C#N)c3)cnc21,bindingdb_645757
+COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,CHEMBL603
+CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,DB00539
+COC(=O)N[C@H]1CN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CC[C@H]1O,bindingdb_654141
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC4OCCO4)cc3)C[C@@]21C,CHEMBL507253
+CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccncc3)cc2)cc1,CHEMBL4282807
+C[C@H](NS(=O)(=O)c1ncc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCCCC2)c2ccccc12)C(F)(F)F,bindingdb_650395
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(=O)(=O)NC(N)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F,bindingdb_1183697
+CC(C)(O)CN1C(=O)CCN1C(=O)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_651156
+COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2cc1OC,bindingdb_401810
+O=C([C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)N1CCC(F)(F)C1,bindingdb_649179
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](CC)C[C@@]21C,CHEMBL4174549
+CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,DB13179
+CCC(C)c1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N,CHEMBL3706899
+O=C(O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3)c2)c(Br)c1,CHEMBL235165
+O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)(S(=O)(=O)c3cccc(C4CC4)c3)C2)CC1,bindingdb_653911
+CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CC(C)(C)C(=O)O)o3)nc2CC2CCCCC2)c(Cl)c1Cl,bindingdb_1183919
+O=C(O)CCc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1,bindingdb_654575
+CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1,CHEMBL3290285
+O=C(O)c1ccc(OC[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1,bindingdb_846223
+c1csc(CN2CCn3nnnc3C2C2CCCCC2)c1,bindingdb_647398
+CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1,bindingdb_539954
+N#Cc1ccc(-c2ccc3oc(=O)ccc3c2)n1Cc1ccc([N+](=O)[O-])cc1,CHEMBL3975442
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3695889
+NC(=O)C1CCN(C(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1,bindingdb_653058
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(C#N)n1-c1cnc(CCC(F)(F)F)cc1OC,bindingdb_1183195
+CCCN[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21,CHEMBL1910409
+COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1,bindingdb_1183227
+CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)(CO)CO)cc3)C[C@@]21C,bindingdb_168528
+COc1ccccc1Sc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL462026
+CC(C)(C)c1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1,CHEMBL4088942
+NCCOc1ccc(/C(=C(\Cn2cncn2)c2ccccc2)c2ccc(O)cc2)cc1,CHEMBL3422042
+CC(C)(C(=O)NC(N)=O)C1c2ccccc2Oc2ccccc21,bindingdb_1054312
+C[C@H](CO)NC(=O)[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_649437
+COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(N)(=O)=O)cn3)c(=O)n(C3CCC3)c2n1,bindingdb_647599
+CN(Cc1cnccn1)C(=O)C1CCc2c(C3=CCC(C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C3(C(F)(F)F)CC3)c2C1,bindingdb_647760
+CCOc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1,bindingdb_584051
+O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(C4CCC5(CC4)CC5)noc3C3CC3)sc2c1,bindingdb_1018403
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3Cl)c(F)c2)CC1,CHEMBL3581538
+COc1cc(/C=C2\SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F,CHEMBL4218019
+CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1cc(F)cc(F)c1,CHEMBL4207016
+NC(=Nc1ccccc1)NC(=O)c1nc(Cl)c(N)nc1N,bindingdb_999856
+Cc1noc(C)c1COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)C2)cc1)(C(F)(F)F)C(F)(F)F,bindingdb_648890
+CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccccc1,CHEMBL3695855
+O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC1CCOCC1)C2)c1cnn2cccnc12,bindingdb_1127431
+CCn1c2ccc(Cl)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21,CHEMBL4206135
+CC[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2CN2CCCC(F)(F)C2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645432
+N#Cc1ccc(C(=O)CC(Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,CHEMBL1163602
+CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)cc1Br,bindingdb_481645
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cc(C#N)cnc3OCC(F)(F)F)cs2)cc1,CHEMBL4167096
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccco1,bindingdb_292612
+COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)ccc2C)c1OC,CHEMBL395491
+O=C(O)c1cc(F)c(-c2nn(Cc3ccc(Br)cc3F)c3cccc(F)c23)cc1O,bindingdb_650642
+CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-],CHEMBL2348904
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2C[C@H]4COC[C@H]4C2)C3)CC1,bindingdb_645873
+CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1,DB07931
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1018318
+C[C@H]1[C@H](O)CCN1c1ccc(C#N)c2ccccc12,CHEMBL3402229
+CC(C)(C)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O,CHEMBL3613412
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(CO)nn1,bindingdb_652881
+Fc1ccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)cc1,bindingdb_650213
+CCCC(=O)N1CCCC(c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)C1,bindingdb_69176
+C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1,CHEMBL3640867
+Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1cccs1,bindingdb_69072
+COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)s2)s1,bindingdb_1026173
+O=C([C@H]1C[C@@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(c2ccncc2)C1,bindingdb_651614
+COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1CC(C)C,bindingdb_654593
+CCCCCCCN(CCc1ccc(O[C@H](C)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL2220272
+N#Cc1ccc(N2CCC[C@@H]2C#N)c2ccccc12,CHEMBL3402227
+CN1CCS/C1=C\C=C1/SC(=S)N(CC(=O)O)C1=O,bindingdb_1026206
+COc1cc(C(=C(Cl)Cl)c2ccc(O)cc2)ccc1O,CHEMBL364287
+CCC(C)(C)C(F)(F)COC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CNC(C)=O)O2,bindingdb_647735
+CC(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3915906
+Cc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1,bindingdb_830814
+C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@@](C)(O)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1257706
+CC1(C)CC(S(=O)(=O)NC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cn2)CCO1,bindingdb_1017929
+Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1,CHEMBL1366918
+O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(C(F)(F)F)c3ncnn3c2)c1)C12CC(F)(C1)C2,bindingdb_1018570
+O=C(O)C1CC1c1noc(C23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1018835
+C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cc1I,bindingdb_476020
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263865
+CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1,CHEMBL2346975
+CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)[O-],bindingdb_1114875
+CC(=O)N1CCC(C(=O)N2C[C@@H](Cc3ccccc3)[C@H](c3ccc(-c4c(F)cccc4F)cc3)C2)CC1,bindingdb_648113
+COc1ccc2c(c1)CCN(C(=O)CC(C)(O)CC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1,CHEMBL4210540
+COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)=O)cc2)c1,CHEMBL1460232
+C=CC(=O)Oc1ccc(C(=O)OCCCCC)cc1,bindingdb_26651
+CC(C)c1cc(Oc2c(Br)cc(C(=O)O)cc2Br)ccc1O,bindingdb_481687
+COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1,CHEMBL1393976
+Cc1ccccc1CC1(CO)CCCN(C(=O)CCC(=O)c2ccccc2)C1,bindingdb_112235
+COc1ccccc1-c1ccc(C#N)c(C(F)(F)F)c1,CHEMBL238366
+O=c1c(=NNc2ccccc2Cl)c(=O)c2ccccc12,bindingdb_999755
+[C-]#[N+]c1ccc(NC(c2nnc(C)o2)[C@H](C)O)c(C)c1Cl,CHEMBL3640861
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](N=[N+]=[N-])C[C@]12C,CHEMBL2440895
+CC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc5ccccc45)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263795
+CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2c(Cl)cccc2Cl)n1,CHEMBL3935187
+COc1cc(NCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)(F)CO,bindingdb_403144
+O=C(O)c1ccc(C(=O)N2CCC3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)cc1,bindingdb_651365
+Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1,CHEMBL3325741
+O=C1[C@@H]2C3C=CC(CCC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,CHEMBL369542
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1nc(C)oc1C,bindingdb_651364
+C[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)[C@H](CCO)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138046
+COc1cc2c(cc1OC)C(Nc1ccc(S(N)(=O)=O)cc1)=NC(C)(C)C2,bindingdb_112057
+Oc1ccc2c(c1)CCCC(c1ccc(SC(F)(F)F)cc1)=C2c1ccc(N[C@H]2CCN(CCCF)C2)cc1,bindingdb_401715
+CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)cc2)cc1CC1CCCCC1,CHEMBL3109156
+CCc1nc2ccc([C@](O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(C#N)c1CC(F)(F)F,bindingdb_652026
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C[C@H]([C@H]1C[C@@H]1C(=O)O)O2)C(F)(F)F,bindingdb_645145
+O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl,CHEMBL1782958
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-c3cnn(CCC(N)=O)c3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_653250
+CC(C)Oc1ccc(CN2CCn3nnnc3C2c2ccccc2F)cc1,bindingdb_653921
+COc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12,bindingdb_1026200
+CC(C)(C)c1ccc(CC(O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3c(c2)COC3=O)cc1,CHEMBL196237
+CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1,CHEMBL198213
+CC(C)(C)OC(=O)n1c(-c2ccc(CCCNS(=O)(=O)c3ccccc3)cc2)cc2ccccc21,CHEMBL231782
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccc(-c4nnn(C)n4)cc2)[C@@H]3C(C)C)nc1,bindingdb_270601
+O=C1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1Br,bindingdb_647990
+Cc1cn(Cc2c(Cl)cnc(C(=O)N3CCC(CC(=O)O)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206608
+Cc1c(N2C(C)[C@@H]3[C@@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl,CHEMBL391770
+CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,CHEMBL594367
+C[C@]12CN(c3cc(Cl)ncn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,CHEMBL1210152
+CCCN[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O,CHEMBL321634
+Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2ccccc2)s1,CHEMBL3086012
+COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)C3CCS(=O)(=O)CC3)C2)cc1F)(C(F)(F)F)C(F)(F)F,bindingdb_647590
+COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccccc3)n2)c1,CHEMBL1087594
+CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)(F)F)CC3)[C@@H](c3ccccc3Cl)C2)c1,bindingdb_1130713
+Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2,bindingdb_961222
+O=C(O)c1cc(F)cc2nc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)sc12,bindingdb_1018904
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)N[C@H]2C[C@H](O)C2)sc1-c1cnc(N[C@@H](C2CC2)C(F)(F)F)cc1C(F)F,bindingdb_1184313
+CC(C)(C)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1,CHEMBL4102626
+CC1=Nc2cc(C)ccc2N=C(c2ccccc2)C1,bindingdb_672555
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3nc(CNCC(N)=O)co3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_651394
+COc1cc(S(=O)(=O)N2C[C@H](C[C@@H](C)C(=O)NS(=O)(=O)C(C)(C)C)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)ccc1F,bindingdb_647942
+CC1(C)CNc2ccc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SC3)cc21,bindingdb_401886
+Cc1c(C)n(Cc2cccc(OC(C)(C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12,CHEMBL3678120
+COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(S(C)(=O)=O)cc1,CHEMBL4079036
+O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(-c4nccs4)cc3)nc3cc(F)c(F)cc32)cc1,bindingdb_846208
+C=CCC1(CC=C)C(=O)N(c2ccc(Cl)cc2)C(=O)c2ccccc21,CHEMBL479580
+Cc1c(C(O)(c2ccc(Cl)s2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,CHEMBL3818882
+O=C(O)C1CC=C(c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCC(C(=O)N2CCC4(CCO4)C2)C3)CC1,bindingdb_646565
+COc1ccc(C(=O)c2c(C(F)(F)F)oc3c2C(=O)c2ccccc2C3=O)cc1,CHEMBL1384702
+CCn1cc(S(=O)(=O)N2C[C@H](CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(C2CC2)n1,bindingdb_648618
+CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1,CHEMBL3613430
+CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C,bindingdb_125940
+Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(OC(C)(C)C(=O)O)cc1,CHEMBL220926
+C[C@@H](C[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2Cl)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)C(=O)O,bindingdb_648337
+C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C2CC2)cc1C(F)(F)F,bindingdb_1183551
+CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(F)c3)cc21,CHEMBL281182
+CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21,CHEMBL1299357
+Cn1ccc(CNC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)n1,bindingdb_646132
+CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21,CHEMBL523785
+O=C1c2ccccc2C(=O)N1CC(O)CN1CCOCC1,bindingdb_672513
+CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CHEMBL1550490
+COc1ccc(OC)c(C2c3nnnn3CCN2Cc2cccc(F)c2F)c1,bindingdb_651348
+Cc1ccc(CONC(=O)C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)cc1,bindingdb_649636
+C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2cnc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F,bindingdb_402533
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4cccc(F)c4)ccc23)cc1,bindingdb_55088
+O=C([C@@H]1CSCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21,CHEMBL4205214
+Cc1cc(OCc2ccc(-c3ccc(OC(F)(F)F)cc3)c(-c3ccc(OC(F)(F)F)cc3)c2)ccc1OCC(=O)O,CHEMBL381066
+CC1(c2nc(C34CCC(CN(C(=O)C56CC(F)(C5)C6)c5cccc(-c6nc(C7CC7)no6)c5)(CC3)CC4)no2)CC1,bindingdb_1018373
+CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1)c1nc2ccccc2o1,CHEMBL1946409
+CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21,CHEMBL383986
+C[C@]1(C(=O)O)CC[C@@H](c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c32)CC1,bindingdb_647190
+Cc1cc(C(F)(F)F)nn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C5COC5)CC4)c3Cl)nc12,bindingdb_206586
+O=C(O)C1CCN(C(=O)[C@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_649644
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCOC(=O)NS(=O)(=O)c4ccc(-c5ccccc5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1019143
+C[C@H](CCNC(=O)OC/C=C/c1ccccc1)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138092
+O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12,CHEMBL55415
+CC1Cc2cc(C3=C(c4ccc(O[C@H]5CCN(CCCF)C5)cc4)c4ccc(O)cc4SCC3)ccc2O1,bindingdb_403327
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1,CHEMBL3894825
+CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(O)C(F)(F)F)cn1,bindingdb_1130718
+O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccs1,CHEMBL1612328
+CCCCn1c(-c2ccc3nn(CCC)c(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)nc2ccccc21,CHEMBL3115247
+Cc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2)c1,bindingdb_653776
+CCS(=O)(=O)c1ccc(CNc2nc3cnc(-c4c(OC)ncnc4C4CC4)nc3n(CC(C)C)c2=O)nc1,bindingdb_648394
+C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2cn[nH]c2)n1,bindingdb_475656
+C[C@]12O[C@@](C)(C[C@H]1NS(=O)(=O)c1cccnc1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,CHEMBL3623126
+CC(C)N1[C@@H](O)C(NCCCCc2cccc(S(N)(=O)=O)n2)=C(c2ccccc2)S1(=O)=O,6s4u
+CC(CCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3cccc(Cl)c3Cl)noc2C2CC2)cc1)OC(=O)CCC(=O)O,bindingdb_1018393
+CCCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(O)c(C)c1,CHEMBL201834
+O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(C(=O)N(C4CC4)C4CC4)cnc23)c(F)c1,bindingdb_654946
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NCC(=O)N[C@@H]1COC(=O)C1,bindingdb_654404
+O=C(O)/C=C/c1ccc(Oc2c(-c3cc(F)ccc3CC(F)(F)F)sc3cc(O)ccc23)cc1,bindingdb_401608
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1C(C)C,bindingdb_1182667
+O=C(NC[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)c1ccnc(F)c1,bindingdb_648896
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(OC)c(F)c4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263564
+Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(N[C@H](C)C(N)=O)c2)c(C)c1,CHEMBL1668080
+CCCCCCOc1cc(Cl)c(C(=O)CCN2CC2C)c(Cl)c1,CHEMBL551962
+CC(C)CN(CCC(=O)O)CC(C)C,CHEMBL1501367
+O=C1NC(=O)C(Cc2cc(I)c(Oc3ccc(O)cc3)c(I)c2)N1,CHEMBL407819
+Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1,CHEMBL1934480
+CCOc1ccc2nc(SC(C)C(=O)NS(C)(=O)=O)sc2c1,CHEMBL2153833
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cn3C)cc1,bindingdb_651629
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)c(Cl)c1)c1ccccc1,CHEMBL1825110
+CC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,CHEMBL371777
+Fc1ccc(C2=NOC3CCCCCCC23)cc1C(F)(F)F,CHEMBL2159549
+Cc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1,CHEMBL16972
+Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL576472
+CCN(C[C@@]12CC[C@@H](c3cc(-c4c(F)cccc4F)nnc31)C2(C)C)C(=O)c1ccc(OCc2noc(C)n2)cc1,bindingdb_653129
+O=C(O)c1ccc(-n2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c2CCCC3)cc1,CHEMBL3598145
+CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cc(C#N)ccc3Cl)cs2)cc1,CHEMBL4176513
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC(CO)CO,bindingdb_645664
+C[C@]1(C(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)CCC[C@]2(C)c3ccccc3CC[C@@H]12,CHEMBL194679
+COc1ccc2c(Oc3cccc(C(F)(F)F)c3)c(C(=O)O)n(-c3ccc(C(C)(C)C)cc3)c2n1,CHEMBL372091
+C[C@](O)(Cc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CHEMBL3962995
+C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(F)cc1,CHEMBL3678093
+Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccnc4ccccc34)cc12,CHEMBL3695872
+CCCC/C(=C\c1cc(OCC(c2ccccc2)c2ccccc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397726
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183481
+C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21,CHEMBL3358034
+COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC,CHEMBL476121
+O=c1[nH]nc(Cc2ccccc2C(F)(F)F)c2ccccc12,CHEMBL3622576
+CC(C)(Oc1ccc(CCOc2ccc(/C=C/C(=O)c3cc(Cl)ccc3O)cc2)cc1)C(=O)O,CHEMBL2069935
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)C1CCCC1)O2,bindingdb_648627
+CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CS(=O)(=O)NCC(F)(F)F)O2,bindingdb_648793
+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1O,CHEMBL232248
+C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3CC[C@H]([C@H](C)CCC=C(C)C)[C@@]3(C)CC[C@@H]12,CHEMBL3122144
+Cc1c(Cc2ccccc2)nc(-c2ccco2)n1-c1c(Cl)cccc1Cl,6q7a
+CCCCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CHEMBL1087715
+CN(C)CCOc1ccc(C2=C3c4ccc(O)cc4CC3(Cc3ccccc3)CCC2=O)cc1,CHEMBL214207
+CCCc1nc2ccc(-c3cccc(O)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,CHEMBL4105094
+COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_402574
+CC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1,CHEMBL2426638
+CCOC(=O)CN1C(=O)SC(Cc2ccc(C(F)(F)F)cc2)C1=O,CHEMBL2263564
+CC[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H]3C[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183601
+[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccccc3C(=O)O)C2=S)cc1C(F)(F)F,bindingdb_475783
+C[C@H]1C(=O)[C@@]2(C#N)O[C@H]2[C@@]2(C)c3nc(-c4ccnc5cc(F)ccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_652899
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1,CHEMBL1600566
+Cc1cnc(-c2ccc(F)cc2)n1Cc1ccccc1OCCCC(C)CC(=O)O,bindingdb_1002238
+CC(=O)N1CCC(C(=O)N[C@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648379
+COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12,CHEMBL256768
+CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc2C1=O,CHEMBL210162
+CC(C)(Oc1ccc(COc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O,CHEMBL2204695
+Cc1nc2sc(-c3ccccc3)nn2c(=O)c1Br,bindingdb_1000343
+CNC(=O)C(C)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645222
+CC(=NNC(=O)c1cccnc1)c1ccc(-n2ccnc2)cc1,bindingdb_91284
+Cc1nn(C(F)F)cc1S(=O)(=O)N1c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O[C@@H](CNS(C)(=O)=O)[C@H]1C,bindingdb_645541
+CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1,bindingdb_831343
+COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)cc1Cl,bindingdb_292624
+COc1nc2ccc([C@@](O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1C1CCCC1,bindingdb_1183971
+COc1ccc(C(O)(c2ccc3nc(N(C)C)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1,bindingdb_1184066
+O=C(C1CCC1)N(CC12CCC(c3nc(CC4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1,bindingdb_1018780
+CC(=O)NC[C@H]1CN(S(=O)(=O)c2cn(C(F)F)nc2C)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_651975
+CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F,bindingdb_1183504
+CCc1cn(CCOC)c(CC)c1Oc1ccc(C#N)cc1,CHEMBL1085008
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CCOCC2)c(Cl)c1,CHEMBL557906
+CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1,bindingdb_651187
+COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1,bindingdb_760373
+CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cc(C(C)(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)s1,bindingdb_645212
+Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)cc1,CHEMBL59132
+CC1(C)[C@H]2CC[C@]1(c1cncc(-c3cnn(C[C@H](O)CO)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_647923
+Cc1cc(C(N)=O)nn1-c1cccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1,CHEMBL1224194
+c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1,bindingdb_1026159
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NS(=O)(=O)c4ccc(C(C)(C)CO)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263745
+CCC1(CC)OC(S)=Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL279464
+Cc1ccc2oc(-c3cccc(N)c3)nc2c1,bindingdb_1000043
+CC(=O)N1CCC(C(=O)N2C[C@@H](Cc3ccccc3)[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_649041
+CC(C)(C)CC(C)(C)c1ccc(O)cc1,4mga
+C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@H](NCc4ccccc4)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL1256589
+NC(=O)C[C@@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,bindingdb_464398
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1)C(F)(F)F,bindingdb_1183118
+CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](CCO)C(=O)O)cc2Br)ccc1O,bindingdb_481831
+COc1nc(OCCNCCCF)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(F)F,bindingdb_403770
+COC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,bindingdb_168494
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)Nc1nncs1,bindingdb_646263
+CC1(C)CCC(C(=O)N2CCN(c3ccc(CCO)c(S(C)(=O)=O)c3)C[C@@H]2c2ccccc2)CC1,bindingdb_1143331
+Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)O,CHEMBL1081546
+CCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1,bindingdb_1000301
+CCC(=O)O[C@]1(C(=O)SCCCCCCP(=O)(O)O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,bindingdb_417294
+CC(C)c1ccc(N2CCc3cc(O)ccc3[C@]2(c2ccc(/C=C/C(=O)O)cc2)C(F)F)cc1,CHEMBL4101848
+C[C@@H]1CCO[C@@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL380790
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)(C)C)c4)ccc1c23,CHEMBL3234258
+COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@]21O,bindingdb_953782
+Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1,CHEMBL3657169
+CN(C(=O)[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12)c1ccccc1,CHEMBL3623117
+CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1,CHEMBL50885
+CC(C)(OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](CC1(C(=O)O)CC1)O2)C(F)(F)F,bindingdb_646418
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O,bindingdb_760642
+CC(C)(O)CC(=O)Nc1nc(CC2CCCCC2)c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c2)s1,bindingdb_645673
+Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CC[C@H](C(=O)O)[C@H](C)C3)c2Cl)c2c(C)cc(C(F)(F)F)cc12,bindingdb_206556
+Oc1ccc2c(c1)CCCC(c1cncc(Cl)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,bindingdb_401801
+CC(C)CN1CCN(c2ccc(C3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1,CHEMBL195118
+Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12,CHEMBL3678122
+CCCCCCSc1ccc(C(=O)CCN(C)C)c(Cl)c1Cl,CHEMBL560568
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCOC(=O)NCc4ccc(C(C)(C)C)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_1017731
+Oc1ccc2cc(-c3cc(F)c(O)c(F)c3)ccc2c1Cl,CHEMBL192068
+CCCC/C(=C\c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O,CHEMBL3397716
+COc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(COc3ccc(C)c(C(=O)O)n3)(CC1)CC2,bindingdb_1017426
+CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21,bindingdb_402036
+Cc1noc(-c2nc(CC3CCCCC3)c(-c3ccc(S(=O)(=O)NC(C)(C)C)c4ccccc34)s2)n1,bindingdb_1182813
+O=C(O)Cn1ccc(NCC23CCC(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1018909
+CCOC(=O)C1(C(=O)OCC)Cc2ccc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2C1,CHEMBL1096975
+COc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]([C@@H](C)NC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_645992
+O=C(O)c1cccc(N=NCc2cccs2)c1,bindingdb_999943
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@H]1Cc2ccccc2[C@H]1O,bindingdb_652438
+COc1cc(F)cc(COC(c2ccc(C3(S(=O)(=O)c4ccc(F)cc4)CCCC3)cc2)(C(F)(F)F)C(F)(F)F)c1,bindingdb_652493
+O=C(O)COc1ccc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)c2c1CCC2,CHEMBL232398
+COc1cc(SCC2CCC2)ccc1C#N,CHEMBL453244
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4cc(CF)nc5ccccc45)nc(-c4ccccc4F)c3CC[C@H]12,bindingdb_650844
+Cc1nc2c(Cl)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc2n1C,bindingdb_417663
+Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2F)c1,bindingdb_651844
+CCN=c1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1O,CHEMBL1570364
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(CN3CCC(CC(C)(C)O)CC3)c1Cl)n2C,bindingdb_650728
+CSc1nc(NCc2ccccc2)c(C(=O)O)c(-c2cccs2)n1,CHEMBL1172424
+CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21,CHEMBL306764
+CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(F)c(Cl)c1)c1ccccc1,CHEMBL1825126
+C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4)c3CC[C@H]12,bindingdb_652675
+O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1C(=O)c1cccc(C(F)(F)F)c1,CHEMBL435317
+COC(=O)c1ccc2c(N(C[C@H]3CC[C@H](c4ccccc4OC)CC3)C(=O)CC(C)(C)C)nccc2c1,bindingdb_109224
+COc1ccc(N2CCN(C[C@H](O)COc3cc4c(c5c3CCCC5)CCCC4)CC2)cc1,CHEMBL1929242
+CC(NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCS(=O)(=O)CC3)nc2CC2CCCC2)c(Cl)c1Cl)C(F)(F)F,bindingdb_645562
+CCOc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCCC3)cc2)cc1,CHEMBL3657142
+CCn1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1C(F)(F)F,bindingdb_1184252
+CS(=O)(=O)N1CCC(O)(C(=O)N[C@@H]2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)CC1,bindingdb_648452
+CCOc1nn(C(F)F)cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_653504
+COc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)cn3)c(C)o2)cc1,CHEMBL221649
+Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3c(C#N)cccc32)C(F)(F)F)c(C)c1,CHEMBL3093457
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,DB00984
+CC(=O)N1CCC(C(=O)N2C[C@@H](Cc3cccc4ccccc34)[C@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1,bindingdb_648296
+CNc1ccc(Cc2ccc([C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@]4(C(=O)CO)O3)cc2)cc1OC,bindingdb_417497
+O=C(C[C@@H]1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)N[C@@H]1COC[C@H]1O,bindingdb_647648
+Cn1cc(-c2ccc(CN(c3ncnc(NC[C@@H]4CCN(CC(N)=O)C[C@H]4O)c3F)C3CC3)cc2)cn1,bindingdb_989002
+CCOC(=O)C1=CN(C(=O)C2CCCCC2)CC(C)(C)c2cn[nH]c21,bindingdb_1019108
+CCCCNC(=O)OCCCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl,CHEMBL2022133
+CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3F)c(F)c2)CC1,CHEMBL3581532
+Cc1cn(Cc2ccc(O)c(-c3ccccc3)c2)c2ccc(OCC(=O)O)cc12,CHEMBL3397346
+Cn1c(C#N)ccc1-c1ccc2c(c1)CC/C2=N/O,CHEMBL567854
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,CHEMBL1402874
+COC(c1ccc([C@]2(S(=O)(=O)c3ccc(F)cc3)CCN(C(=O)N3CCN(C(C)=O)CC3)C2)cc1F)(C(F)(F)F)C(F)(F)F,bindingdb_648026
+COc1cc(/C=C2/N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)N(c3ccccc3)C2=O)cc(OC)c1OC,CHEMBL3234275
+O=C(O)c1ccccc1CN1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,bindingdb_645927
+CC(C)CN(c1ccc(C(O)(C#CC2=CCCCC2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CHEMBL2070359
+CC(C)(NS(C)(=O)=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1,bindingdb_649221
+CCc1nc(C(=O)NC[C@H]2CC[C@H](S(C)(=O)=O)CC2)cn1-c1cnc(CCC(F)(F)F)cc1OC,bindingdb_1183348
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB00663
+CC1(C)[C@H]2CC[C@]1(c1ccnc(-n3cnc(C4(O)COC4)n3)n1)c1nnc(-c3c(F)cccc3F)cc12,bindingdb_654556
+C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ncc(OCCN3CC(CF)C3)cc2F)N1CC(F)F,bindingdb_402016
+CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1,CHEMBL247234
+CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(C#N)cc2)cc1,CHEMBL3990898
+CCc1c(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)cc(F)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,bindingdb_206234
+CCCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1,CHEMBL1589300
+CCCCCCCN(CCc1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1.NC1CCCCC1,CHEMBL2206306
+COc1cccc(F)c1C(=O)c1cn(-c2ccc(C(=O)O)cc2)c2ccccc12,bindingdb_651502
+C[C@H](NC(=O)C(C)(C)C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1,CHEMBL3970276
+CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12,CHEMBL2181926
+CCC12CCC(=O)C(Br)=C1c1ccc3[nH]nnc3c1C2,CHEMBL385028
+Cc1nc(C#N)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C,bindingdb_647603
+CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(N5CCCCC5)cc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,bindingdb_263579
+C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,CHEMBL2107797
+CC(C)(C)COC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C[C@H](CC(=O)NS(=O)(=O)C(F)(F)F)O2,bindingdb_648102
+CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)N32)cc1,CHEMBL447184
+CC(C)c1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc(F)c(CN2CC3(C2)CN(S(C)(=O)=O)C3)c1F,bindingdb_206412
+CCCCCCSc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,CHEMBL558108
+CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCOc1ccc2cccnc2c1,bindingdb_511728
+COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3Br)C2=O)cc1OC,bindingdb_1717
+COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL244331
+CC(=O)C1CCC(C(=O)N2CCC3(S(=O)(=O)c4ccc(C)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4OCC23)CC1,bindingdb_648667
+N#Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12,CHEMBL364176
+COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O,CHEMBL1302748
+CCCCCCOc1ccc(C(=O)CCN(C)C)cc1-c1ccccc1,CHEMBL560512
+O=C(NCc1ccccc1)N1C[C@@H](Cc2cccc3c2CCCC3)[C@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1,bindingdb_648710
+Cc1cc(C)cc(N(c2cc(C(=O)N3CCCC3)n(C)c2)C(C)C)c1,CHEMBL516752
+NC1CCc2[nH]c3ccccc3c2C1,CHEMBL3304960
+NCC(O)COc1cccc2ccccc12,CHEMBL31888
+CCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1,CHEMBL86206
+C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(=O)N[C@@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1)C1CC1,bindingdb_1183188
+CC(C)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,bindingdb_1000248
+O=C(c1cc2ncc(Br)cn2n1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1377973
+CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](C[C@@H](C)C(=O)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc21,bindingdb_651244
+CC(C)NCC(O)COc1cccc2ccccc12,CHEMBL27
+OCc1noc(C23CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)(CC2)CC3)n1,bindingdb_1018739
+O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)OCCCCO,CHEMBL4089824
+CCCCCCCN(C(=O)Nc1ccccc1OC(F)(F)F)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1,CHEMBL400093
+CN1CCC(c2ccc(C3c4ccc(O)cc4CCN3c3cccc(F)c3)cc2)CC1,CHEMBL372011
+CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C)cc21,bindingdb_654681
+CC1(CNC(=O)C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)CCCO1,bindingdb_646704
+N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2,CHEMBL3184468
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(Cl)cc2)no1,CHEMBL1563863
+C[C@H](CCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL3138525
+CCCCCCCCNCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C,CHEMBL4176843
+O=C(Nc1ccccc1)Nc1cccc2nsnc12,bindingdb_999581
+Clc1ccc2nc(CN3CCCc4ccccc43)cn2c1,CHEMBL1623880
+CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CN([C@@H](C)c2ccc(C(F)(F)F)cc2F)[C@H]3C(C)C)cc1,bindingdb_271028
+C[C@H](Nc1cc(C(F)F)c(-c2sc(C(=O)NC3CN(S(C)(=O)=O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F,bindingdb_1183039
+Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1Cl,CHEMBL402491
+Cc1cc(C)nc(NC(N)=Nc2ccc(N)cc2)n1,bindingdb_972696
+Cc1cc(C(F)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CC(CO)C3)c1Cl)n2C,bindingdb_649699
+Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(CCCN3CCCCC3)cc2)cc1,CHEMBL124474
+CCCCCCCCC(C)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1,CHEMBL214076
+CC[C@@H]1C2C[C@H](O)CCC2(C)[C@H]2CCC3(C)C([C@H](C)CCC(=O)NS(=O)(=O)c4cn(C)cn4)CC[C@H]3[C@@H]2[C@@H]1O,bindingdb_1018729
+CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O,CHEMBL1584299
+C[C@H](CCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,bindingdb_846209