diff --git "a/Combined_Ligands/CP3A4_combined.csv" "b/Combined_Ligands/CP3A4_combined.csv" new file mode 100644--- /dev/null +++ "b/Combined_Ligands/CP3A4_combined.csv" @@ -0,0 +1,11971 @@ +SMILES,Molecule Name,Target Name,Type,label +Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl,CHEMBL1210558_active,CP3A4,Active,1 +CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,CHEMBL1222883_active,CP3A4,Active,1 +Cc1cc(N2CCC(O)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL520419_active,CP3A4,Active,1 +Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL401930_active,CP3A4,Active,1 +Cc1cc(N2CCC(NC(=O)C3CC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL480966_active,CP3A4,Active,1 +Cc1cc(N2CCC3(CC2)OCCO3)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL482101_active,CP3A4,Active,1 +O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1,CHEMBL260636_active,CP3A4,Active,1 +CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3nccs3)cc2)c2ccc(OCc3ccccn3)cc12,CHEMBL539650_active,CP3A4,Active,1 +Cc1cc(N2CCC(N3CCN(C)CC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL451331_active,CP3A4,Active,1 +Cc1cc(N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL502092_active,CP3A4,Active,1 +COC(=O)Cc1ccc(COc2ccc3cc(C(C(C)N(C)C)n4ccnc4)ccc3c2)cc1,CHEMBL179825_active,CP3A4,Active,1 +CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,CHEMBL75_active,CP3A4,Active,1 +Cc1cc(N2CCC(N3CCCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,CHEMBL480965_active,CP3A4,Active,1 +CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(OCc3ccccn3)cc12,CHEMBL538632_active,CP3A4,Active,1 +CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,CHEMBL16596_active,CP3A4,Active,1 +CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21,CHEMBL364572_active,CP3A4,Active,1 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+Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)c(C(C)C)cc1Br,C32602031_decoy,CP3A4,Decoy,0 +CC(=O)[C@H]1[C@H](c2cccc(I)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=C[NH+]21,C00850142_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2[C@@H]2CCC[NH+]2C)s1,C33811584_decoy,CP3A4,Decoy,0 +C=C(C)C[NH+]1CCN(c2nc(SC)nc3sc4c(c23)CCC4)CC1,C34756998_decoy,CP3A4,Decoy,0 +CCn1cc(Br)cc1C(=O)N(C)C1CC[NH+](C(C)C)CC1,C37845081_decoy,CP3A4,Decoy,0 +O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1c1cccc(Br)c1,C00705750_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[NH+](Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C1,C04107094_decoy,CP3A4,Decoy,0 +N#CNc1snc(-c2ccccc2)[n+]1-c1ccc(Br)cc1,C37867870_decoy,CP3A4,Decoy,0 +S=C1N=[NH+][C@@H](c2ccccc2)N1/N=C/c1cccc(Br)c1,C38903318_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc([C@H]2[NH+]=NC(=S)N2/N=C/c2ccccc2F)cc1,C38904149_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(C(=O)C(C)C)c1cccc(C)c1C)C=2,C38958832_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=[NH+]C(=O)[C@H](CN(C(=O)C(C)C)c1cccc(C)c1C)C=2,C38958833_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@@H]1[NH+]=NC(=S)N1/N=C/c1ccc(Cl)c(Cl)c1,C39000254_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H](CN(C(=O)C(C)(C)C)C1CCCCC1)C(=O)[NH+]=2,C39011857_decoy,CP3A4,Decoy,0 +CC(/C=N/N1C(=S)N=[NH+][C@H]1c1ccccc1Cl)=C\c1ccccc1,C39012714_decoy,CP3A4,Decoy,0 +Cc1ccc(CSC2=N[C@@H]3[NH+]=c4ccc(Br)cc4=C3N=N2)cc1,C39327581_decoy,CP3A4,Decoy,0 +C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\C1=c2ccccc2=[NH+]C1,C39923294_decoy,CP3A4,Decoy,0 +Cc1nc2cc(N3C(=O)[C@H]4C[C@@H]3C[NH+]4Cc3ccsc3)ccc2s1,C43609933_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccc(I)o1)N1CC[NH+](C2CC2)CC1,C49388557_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12,C51329954_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc(Br)s1)N1CC[C@@H]([NH+]2CCCCC2)C1,C62983964_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccs1)N1CC[C@H]2[NH+]=c3ccc(Cl)cc3=C2C1,C63339518_decoy,CP3A4,Decoy,0 +CC(/C=N/N1C(=S)[NH+]=N[C@H]1c1ccc(Cl)cc1)=C\c1ccccc1,C38905927_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2N=[NH+]C(=S)N2/N=C/c2ccc(Br)cc2)cc1,C38906176_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C1S[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)C=C1C(=O)[NH+]=2,C63490541_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C1S[C@@H](C(=O)N(C)c3cccc(C(F)(F)F)c3)C=C1C(=O)[NH+]=2,C63494211_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1cc(C)ccc1C,C63494284_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1ccccc1,C63494349_decoy,CP3A4,Decoy,0 +Cc1cccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(Cl)cc2Cl)c1,C38936411_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(NC(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)c1,C13758492_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N12,C63980065_decoy,CP3A4,Decoy,0 +Cc1ccsc1/C=N/N1C(=S)[NH+]=N[C@H]1c1ccc(C(C)(C)C)cc1,C38994859_decoy,CP3A4,Decoy,0 +O=C(c1ccccn1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1c(F)cccc1Cl,C64061275_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cc(Br)ccc2F)cc1,C39007675_decoy,CP3A4,Decoy,0 +Fc1ccccc1[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccc(C(F)(F)F)cc1,C39011910_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@@H](c2cccc(Cl)c2)N1/N=C/c1ccccc1Br,C39012271_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Br)s1,C39012589_decoy,CP3A4,Decoy,0 +CCc1cc(C(=O)N2CC=C(C3=c4cccnc4=[NH+]C3)CC2)sc1C,C64186035_decoy,CP3A4,Decoy,0 +CC1=c2ccccc2=[NH+][C@H]1c1c(-c2ccccc2)ncn1[C@H]1CCCOC1,C65398608_decoy,CP3A4,Decoy,0 +O=c1ccc(-c2ccccc2F)nn1C[NH+]1CC2C[C@@H]3CC1C[C@H](C2)C3,C66793255_decoy,CP3A4,Decoy,0 +CC1(C)O[C@H](N2N=C(Br)[C@@H]3C(=O)NC=[NH+][C@@H]32)C(C)(C)C(C)(C)C1(C)C,C03852670_decoy,CP3A4,Decoy,0 +CC1CCN(c2nnnc3c2sc2[nH+]c(N4CCOCC4)c4c(c23)CC(C)(C)OC4)CC1,C04489244_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@H]3C2=O)cc1,C02111929_decoy,CP3A4,Decoy,0 +COc1c(Br)cc([C@H]2NC(=O)c3c(sc4c3CC[NH+](C)C4)N2)cc1Br,C08429897_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[NH+]3[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@]23C(=O)Nc2ccccc23)cc1,C08790522_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[NH+]3[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@]23C(=O)Nc2ccccc23)cc1,C08876707_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)[C@H]2[C@@H]3CCC[NH+]3[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@]23C(=O)Nc2ccccc23)cc1,C08971866_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[NH+]3[C@@]3(C(=O)Nc4c(C)cccc43)[C@]23C(=O)Nc2ccccc23)cc1,C08995004_decoy,CP3A4,Decoy,0 +Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[NH+]21,C09013591_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C09235489_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c(Cl)cc(C)cc42)[NH+]2CCC[C@@H]32)cc1,C09242827_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[NH+]21,C09350771_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C09498161_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C09308316_decoy,CP3A4,Decoy,0 +Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[NH+]1CCC[C@@H]21,C09479035_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Cl)[C@]1(C(=O)Nc3ccc(F)cc31)[NH+]1CCC[C@@H]21,C09357510_decoy,CP3A4,Decoy,0 +O=C1[C@H]2[C@H]3CCC[NH+]3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1,C09012098_decoy,CP3A4,Decoy,0 +CCC[C@@]12CN3C[C@@](C)(C[NH+](C1)[C@@]31C(=O)Nc3ccc(Br)cc31)C2=O,C19323307_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C16009639_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C16009846_decoy,CP3A4,Decoy,0 +Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)C[NH+]([C@@H]1CCS(=O)(=O)C1)CO2,C32501375_decoy,CP3A4,Decoy,0 +CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[NH+](C)C[C@@H]12,C36056326_decoy,CP3A4,Decoy,0 +Cc1oc2c(C)c3oc(=O)c(CC(=O)N4CCc5[nH]c[nH+]c5C4)c(C)c3cc2c1C,C08765217_decoy,CP3A4,Decoy,0 +Cn1cc(Br)c(C(=O)/[NH+]=c2/ccc3c(C(F)(F)F)cc(O)oc-3c2)n1,C37858830_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccccc2=C1C=C1Nc2ccccc2C(=O)N1c1ccc(Br)cc1,C09046340_decoy,CP3A4,Decoy,0 +Brc1ccc([C@H]2C[C@H](c3ccc(I)cc3)[NH+]=C3N=NNN32)cc1,C02918628_decoy,CP3A4,Decoy,0 +CN1C(=O)NC(=O)[C@@]2(Cc3cc4ccccc4[nH+]c3N3[C@@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O,C36369717_decoy,CP3A4,Decoy,0 +CC(C)[C@]12CC[NH+]3C[C@](C)(CN(C1)[C@]31C(=O)Nc3ccc(Br)cc31)C2=O,C39951371_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[NH+]21,C35377221_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]4(C(=O)Nc5c(C)cccc54)[C@H]3C2=O)c(Br)c1,C02450112_decoy,CP3A4,Decoy,0 +COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H]3CCC[NH+]3[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@H]2C1=O,C35843306_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[NH+]21,C35843317_decoy,CP3A4,Decoy,0 +C[C@]12C[C@H](N3CCOCC3)[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)[C@@H]([NH+]3CCCC3)C[C@@H]12,C56956133_decoy,CP3A4,Decoy,0 +O=C1Nc2ccccc2[C@]12N/C(=N\C1=NC3=c4ccccc4=NC3=[NH+]1)N2c1ccccc1,C17091029_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N23)cc1,C63137274_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccc(Br)cc3)N2C(=O)CN1C1CCCC1,C63138587_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N21,C63140868_decoy,CP3A4,Decoy,0 +CN1C(=O)/C(=C\[C@@H]2C=c3cc4c(cc3=[NH+]C2=O)OCO4)S/C1=N\c1nccs1,C39953174_decoy,CP3A4,Decoy,0 +CCOc1cc2c3c(c1)[C@@]1(NCCC4=c5ccccc5=[NH+][C@H]41)C(=O)N3C(C)(C)C=C2C,C63308215_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=N/N2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4C3(C)C)C2=O)cc1,C63351570_decoy,CP3A4,Decoy,0 +Cc1ccc(N2CCN(C(=O)[C@@H]3C=C4C(=O)[NH+]=c5ccccc5=C4S3)C[C@@H]2C)cc1,C63479055_decoy,CP3A4,Decoy,0 +CN1C(=O)[C@@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N(c2ccc(Cl)cc2)C1=O,C63479629_decoy,CP3A4,Decoy,0 +CC1CCC2(CC1)NC(=O)N([C@H]1C(=O)[NH+]=c3ccccc3=C1c1ccccc1)C2=O,C63820740_decoy,CP3A4,Decoy,0 +O=C(c1cn2ccsc2n1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1C1CCCCC1,C64014820_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[C@@H]1C=CC(=O)N(C)N1,C64024235_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(C(=O)N3CCC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c3ccccn3)cn2c1,C64040553_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(C(=O)N3CCC4=c5ccccc5=[NH+][C@H]4[C@@H]3c3ccccn3)cn2c1,C64040555_decoy,CP3A4,Decoy,0 +O=C(c1cnc2ccccn2c1=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1C1CCCCC1,C64053619_decoy,CP3A4,Decoy,0 +Cc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cnc3ccccn3c2=O)c1,C64074250_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C=C(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2F)O1,C64131542_decoy,CP3A4,Decoy,0 +CC1([C@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)OCCO6)OCCO1,C04039597_decoy,CP3A4,Decoy,0 +O=C1OC(c2ccc(Br)cc2)=N/C1=C\N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2,C04423776_decoy,CP3A4,Decoy,0 +O=CNc1c(Br)cc2c(c1Br)Cc1cc([N+](=O)[O-])ccc1-2,C01569596_decoy,CP3A4,Decoy,0 +O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ncc([N+](=O)[O-])s1,C04775813_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Br,C00710686_decoy,CP3A4,Decoy,0 +O=C(c1ccco1)N1CCSC12CCN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2,C06705582_decoy,CP3A4,Decoy,0 +Brc1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1,C01016521_decoy,CP3A4,Decoy,0 +Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)sc1C,C01119608_decoy,CP3A4,Decoy,0 +c1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccccn5)nc4c32)cc1,C09109293_decoy,CP3A4,Decoy,0 +Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Br)c2)c1,C09159929_decoy,CP3A4,Decoy,0 +Cn1c(=O)c2c(-c3ccc(Br)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccco1)OCC3,C09530839_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1,C11614344_decoy,CP3A4,Decoy,0 +Brc1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)o1,C02453505_decoy,CP3A4,Decoy,0 +CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc2c(c1)OCCO2,C12618442_decoy,CP3A4,Decoy,0 +O=c1/c(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2nc3cc(Br)cnc3n12,C13080840_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1,C13408341_decoy,CP3A4,Decoy,0 +O=c1c2c3c(sc2ncn1Cc1nc2c4c5c(sc4ncn2n1)CCC5)CCCC3,C02788826_decoy,CP3A4,Decoy,0 +Cn1ncc(Br)c1-c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4,C02798122_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=NN=C(c3ccc(Br)cc3)Cc3c2c(=O)n(C)c(=O)n3C)cc1,C15106181_decoy,CP3A4,Decoy,0 +CC[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@H]21,C15305220_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)cc1C,C03206796_decoy,CP3A4,Decoy,0 +O=C(c1cc2ccccc2o1)n1c(=S)[nH]c2ccc(I)cc2c1=O,C20533937_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(Br)cc2)cc1,C26507162_decoy,CP3A4,Decoy,0 +CC1=C2CC(=O)OC(C)(C)C2=CC[C@]2(C)[C@@H]1C[C@]1(C)C(=O)O[C@H]3O[C@@H](C)C(=O)[C@]2(Cl)[C@@H]31,C31162438_decoy,CP3A4,Decoy,0 +O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1c1ncccn1,C02345473_decoy,CP3A4,Decoy,0 +O=C1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]2c3ccccc3CCN12,C36108733_decoy,CP3A4,Decoy,0 +CCO[C@@]1(C)OCC(=O)[C@]2(CC[C@H]3[C@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@@H]4C(=O)C[C@@]32C)O1,C04612038_decoy,CP3A4,Decoy,0 +CC[C@]12CCCN3CCc4c(n(c5ccc(Br)cc45)C(=O)/C(=N/O)C1)[C@@H]32,C17174974_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2SC3=NC(=O)S[C@@H]3[C@@H]3c4cc(Br)ccc4OC(=O)[C@H]32)o1,C39352344_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5SC6=NC(=O)S[C@@H]6[C@@H](c6cccnc6)[C@H]45)[C@@H]3C2=O)cc1,C39357665_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H]2[C@@H]4SC3=NC(=O)S[C@@H]3[C@H]2c2cccs2)cc1,C39361301_decoy,CP3A4,Decoy,0 +CS[C@@H]1CC(=O)c2c(c3ncc(Br)cc3c(=O)n2I)N1,C39450065_decoy,CP3A4,Decoy,0 +CSn1c2c(c3ncc(I)cc3c1=O)N[C@@H](Cl)CC2=O,C39450981_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](I)Nc2c1n(Br)c(=O)c1cc(Br)cnc21,C39451634_decoy,CP3A4,Decoy,0 +CS[C@H]1CC(=O)c2c(c3nc4cccc(I)c4cc3c(=O)n2F)N1,C39453165_decoy,CP3A4,Decoy,0 +O=C1C[C@H](Br)Nc2c1n(Br)c(=O)c1cc3c(Br)cccc3nc21,C39454208_decoy,CP3A4,Decoy,0 +CN1c2ncnc(Cl)c2/N=C(\Br)Cc2cc(Br)cc(O)c21,C39480261_decoy,CP3A4,Decoy,0 +CSc1cc(I)cc2c1N(C)c1ncnc(Cl)c1/N=C(\O)C2,C39480323_decoy,CP3A4,Decoy,0 +Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Br)c1)N(c1cc(C)on1)C3=O,C40014996_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)[C@@H]3c1cccc(Br)c1,C40057337_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=NO[C@H]3[C@H]4C[C@@H]([C@@H]23)[C@@H]2C(=O)N(c3sc5c(c3C#N)CCCC5)C(=O)[C@H]42)cc1,C43729470_decoy,CP3A4,Decoy,0 +O=C1C[C@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc2ccccc2c1,C44903508_decoy,CP3A4,Decoy,0 +CC1(C)c2sc(=O)[nH]c2S[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]34)[C@@H]21,C47145226_decoy,CP3A4,Decoy,0 +Clc1ccccc1[C@@H]1Oc2ccccc2C2=Nc3ncnn3[C@H](c3cccnc3)[C@@H]21,C49937442_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1,C17748052_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1,C16292824_decoy,CP3A4,Decoy,0 +Cc1cccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)c(C)c2)c1,C07718480_decoy,CP3A4,Decoy,0 +Cn1c(=O)c2c(nc(Cl)n2Cc2cn3cc(Cl)cc(Cl)c3n2)n(C)c1=O,C60333896_decoy,CP3A4,Decoy,0 +Cc1c2c(cc3c1O/C(=C\c1ccccc1Br)C3=O)CN([C@@H]1CCS(=O)(=O)C1)CO2,C41587648_decoy,CP3A4,Decoy,0 +Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Br)c1)O3)CN([C@H]1CCS(=O)(=O)C1)CO2,C41647529_decoy,CP3A4,Decoy,0 +O=c1c2ccccc2nc2n1CC/C2=C\[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1,C04817227_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3Sc4ccc([N+](=O)[O-])cc4[C@@H]2[NH+]3C)cc1,C01445624_decoy,CP3A4,Decoy,0 +S=c1n(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2n1CCCCC2,C07141956_decoy,CP3A4,Decoy,0 +C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1O2,C08375743_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2cnc3c(sc4[nH+]c(N5CCOCC5)c5c(c43)CC(C)(C)OC5)c2=O)cc1,C09216445_decoy,CP3A4,Decoy,0 +O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]12,C09281823_decoy,CP3A4,Decoy,0 +N#Cc1c(Cl)[nH+]c(N2CCOCCOCCOCCOCC2)c(Cl)c1Cl,C09660156_decoy,CP3A4,Decoy,0 +CC1=NN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C,C10108914_decoy,CP3A4,Decoy,0 +Cc1c(C)c2c(OCC(=O)N3CC[NH+](C)CC3)cc3c(c2oc1=O)CCC(C)(C)O3,C12898422_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH+]1CCC3(C=Cc4ccccc43)CC1)C2,C14538344_decoy,CP3A4,Decoy,0 +O=C1C[C@@H]2OCC=C3C[NH+]4CC[C@]56c7cc(/N=C/c8ccc([N+](=O)[O-])cc8)ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,C16400410_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)CC1,C20754363_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc2c(c1)[N+]1=C(c3ccccc3)C[C@H](c3ccccc3)[C@H]3CCCC[C@]31N2,C20791177_decoy,CP3A4,Decoy,0 +O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[NH+]12,C15990064_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CC[NH+](C)CC3)nc12,C01464559_decoy,CP3A4,Decoy,0 +O=C1C[C@H]([NH+]2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C(=O)N1c1cccc(F)c1,C30874389_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(c4cccc[nH+]4)C[C@H]23)C[C@@H](C)O1,C35894602_decoy,CP3A4,Decoy,0 +CN1CCN(/C=[NH+]/C2=C(C#N)[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)CC1,C13137058_decoy,CP3A4,Decoy,0 +CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC#CCN1CC[NH+](C3CCCCC3)CC1)C2=O,C19367646_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@H]([C@@H]1C=c3ccc(C)c(C)c3=[NH+]C1=O)N(C(=O)N1CCOCC1)CC2,C40010901_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@@H]([C@H]1C=c3cc(C)c(C)cc3=[NH+]C1=O)N(C(=O)N1CCOCC1)CC2,C40010902_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(c(S)s/c(=[NH+]\S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C#N)C1,C41017585_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1O)CC[NH+](C[C@H]1C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@@H]31)[C@@H]2C,C43735801_decoy,CP3A4,Decoy,0 +Cc1ccn(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)/c(=[NH+]/C2CCCCC2)c1,C45766493_decoy,CP3A4,Decoy,0 +Fc1ccc([C@@H]2C3=C(N=C4[NH+]=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1,C00635830_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1,C19889697_decoy,CP3A4,Decoy,0 +CC[C@@H](C)N1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccccc2C)C1=O,C63141133_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C1CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)C[C@H]1[NH+]=2,C63340007_decoy,CP3A4,Decoy,0 +Cc1ccccc1/C=N/N1CC(=O)N2[C@H](c3ccccc3)[C@@H]3[NH+]=c4ccccc4=C3C[C@H]2C1=O,C63351421_decoy,CP3A4,Decoy,0 +C=CCN1CC(=O)N2C[C@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O,C63362813_decoy,CP3A4,Decoy,0 +C[C@]12C(=O)N(C3CC3)CC(=O)N1C[C@@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@H]12,C63362958_decoy,CP3A4,Decoy,0 +C[C@]12C(=O)N(C3CC3)CC(=O)N1C[C@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@@H]12,C63362959_decoy,CP3A4,Decoy,0 +N#C[C@@H]1C=C2[NH+]=c3ccccc3=C2N(c2ccc([N+](=O)[O-])cc2)/C1=N/c1ccccc1,C63426941_decoy,CP3A4,Decoy,0 +Cc1cccc(N2CCN(C(=O)[C@@H]3C=C4C(=O)[NH+]=c5ccc(C)cc5=C4S3)C[C@@H]2C)c1,C63494318_decoy,CP3A4,Decoy,0 +O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1,C63503372_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1cccc([C@H]2NC[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@@H]32)c1,C63780577_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1cccc([C@H]2NC[C@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@@H]32)c1,C63780579_decoy,CP3A4,Decoy,0 +C[C@]12CN3C[C@](C)(C[NH+](C1)[C@H]3c1ccc3c(c1)OCO3)C2/N=C/C1=C[C@H]2N=CC=C2C=C1,C63781572_decoy,CP3A4,Decoy,0 +C[C@]12CN3C[C@](C)(C[NH+](C1)[C@H]3c1ccc3c(c1)OCO3)C2/N=C/C1=CC=C[C@@H]2N=CC=C12,C63785050_decoy,CP3A4,Decoy,0 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+C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12,C00934778_decoy,CP3A4,Decoy,0 +CN1CCc2c1[nH+]c1ccccc1c2/N=C1\CCCN1c1cccc(Cl)c1,C00980170_decoy,CP3A4,Decoy,0 +Cc1csc2nc(C[NH+](C)Cc3ccccc3Br)cc(=O)n12,C09155265_decoy,CP3A4,Decoy,0 +O=c1cc(C[NH+]2CCc3sccc3[C@H]2c2cccs2)nc2ccc(Br)cn12,C09712245_decoy,CP3A4,Decoy,0 +C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCCC[C@@H]4c4cccnc4)[C@H]3C[C@@H]12,C12656045_decoy,CP3A4,Decoy,0 +C[C@@H]1CC[C@H]2[C@@H](C[NH+]3CCc4ccccc4C3)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@@H]31,C12862226_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccs1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,C17075341_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C(C)C)CC2)cc1,C20777905_decoy,CP3A4,Decoy,0 +N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=[NH+]\C23CC4CC(CC(C4)C2)C3)cc1,C15861783_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2ccccc2[C@@H]1C1CCN(S(=O)(=O)c2cccs2)CC1,C33811367_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(Nc3ccccc3C)[n+]2N2CCOCC2)cc1,C35099289_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(C)cc2)cc1,C01909469_decoy,CP3A4,Decoy,0 +CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(F)cc1Br,C37383123_decoy,CP3A4,Decoy,0 +C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1,C37575320_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1[C@H]1N2C[C@@]3(C)C[NH+]1C[C@@](C)(C2)C3=O,C19320817_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(CC#C[C@@]2(C)CC[C@@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1,C19370346_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cccc2ccccc12)N1CC=C(C2=c3cccnc3=[NH+]C2)CC1,C38793173_decoy,CP3A4,Decoy,0 +Fc1ccccc1[C@H]1[NH+]=NC(=S)N1/N=C/c1ccc(Cl)c(Cl)c1,C38995097_decoy,CP3A4,Decoy,0 +Fc1ccc([C@H]2[NH+]=NC(=S)N2/N=C/c2cccc(Br)c2)cc1,C39011978_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)C(C)(C)C)c1,C39024617_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C(=O)/N=C2/N=[NH+][C@@H](c3ccc(Cl)c(Cl)c3)S2)cc1,C39034893_decoy,CP3A4,Decoy,0 +Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)c2cccc(Br)c2[nH+]1,C41478945_decoy,CP3A4,Decoy,0 +Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1,C51329974_decoy,CP3A4,Decoy,0 +Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1,C51329975_decoy,CP3A4,Decoy,0 +Cn1c2c(c3ccccc31)C(=O)[C@H](CN1CC=C(C3=c4cc(F)ccc4=[NH+]C3)CC1)CC2,C52618095_decoy,CP3A4,Decoy,0 +Cn1c(C2CC2)nn(C[NH+]2CCC[C@@H]2c2cccc(Br)c2)c1=S,C54566588_decoy,CP3A4,Decoy,0 +CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C55084887_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccccc1Br,C38905774_decoy,CP3A4,Decoy,0 +Brc1ccccc1CSC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1,C63340105_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2Cl)N1/N=C/c1cccc(Br)c1,C38905838_decoy,CP3A4,Decoy,0 +Fc1ccc([C@H]2N=[NH+]C(=S)N2/N=C/c2ccc(Br)cc2)cc1,C39006651_decoy,CP3A4,Decoy,0 +C/C(=C\c1ccco1)CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1cccc(C)n1,C64066836_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2C=NN=C2[C@@H]2CCCN(C[C@@H]3C=c4ccccc4=[NH+]3)C2)cc1,C64067026_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2C=NN=C2[C@H]2CCCN(C[C@@H]3C=c4ccccc4=[NH+]3)C2)cc1,C64067028_decoy,CP3A4,Decoy,0 +Fc1ccccc1[C@H]1N=[NH+]C(=S)N1/N=C/c1ccccc1Br,C39012865_decoy,CP3A4,Decoy,0 +CSc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2cnn(C)c2)cc1,C64131711_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH+]c(CN(C)Cc3csc(Br)c3)cc(=O)n2c1,C64994207_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@H](c2ccccc2Br)N1/N=C/c1c2ccccc2cc2ccccc12,C65356291_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cs1,C67206681_decoy,CP3A4,Decoy,0 +c1csc(-c2cnc(C[NH+]3CCC[C@@H]3c3nc4ccccc4s3)o2)c1,C67374780_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[C@]2(C)Cc3sc(NC(=O)c4cnccn4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04222102_decoy,CP3A4,Decoy,0 +C[C@]1(CO)[C@H]2Cc3sc(NCc4ccccc4)nc3[C@@H](CC(=O)NCC[NH+]3CCOCC3)[C@]2(C)CC[C@H]1O,C04222510_decoy,CP3A4,Decoy,0 +COc1cc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC,C06014903_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCN(c4ccccc4F)CC3)cc2c1,C06135360_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1,C08809744_decoy,CP3A4,Decoy,0 +C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[NH+](CCC)C3)cc1,C08881042_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)OC)C1,C08881085_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(=O)OCC)C1,C08881167_decoy,CP3A4,Decoy,0 +CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1,C09391495_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1,C09725087_decoy,CP3A4,Decoy,0 +Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCN(c4ccccc4F)CC3)c(=O)[nH]c12,C12637502_decoy,CP3A4,Decoy,0 +COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1,C06193779_decoy,CP3A4,Decoy,0 +COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCN(c2cc(C)ccc2C)CC1,C06195884_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+](Cc3ccccc3)Cc3ccco3)cc2c1,C06300680_decoy,CP3A4,Decoy,0 +O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3,C06446398_decoy,CP3A4,Decoy,0 +Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+](Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1,C06282115_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)(C)C)cc1,C09046727_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2/C(=C(\O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CC[NH+](CC)CC)ccc1O,C09354297_decoy,CP3A4,Decoy,0 +COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1OC,C20080648_decoy,CP3A4,Decoy,0 +CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1,C20115108_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1C[NH+]1CCc2cc(OC)c(OC)cc2[C@@H]1C,C02946107_decoy,CP3A4,Decoy,0 +CCOC(=O)c1cccc(/[NH+]=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(OC)cc2OC)c1,C20617399_decoy,CP3A4,Decoy,0 +O=C1c2cccc3cccc(c23)C(=O)N1CC[NH+]1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1,C22914712_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1ccc(CCCCc2ccc(N3C(N)=NC(N)=[NH+]C3(C)C)cc2Cl)c(Cl)c1,C17127912_decoy,CP3A4,Decoy,0 +Cc1n[nH]c(=O)c2c(NC(=O)CSc3nc4ccccc4c(=O)n3CC[NH+](C(C)C)C(C)C)oc(C)c12,C32745267_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1OC,C34681473_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)N2CC[NH+](CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C(=O)NC(C)(C)C)CC2)cc1,C00744162_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)C[NH+]2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2,C35828021_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(CC[NH+](C)C)[C@@H]4C(=O)N[C@H]2CCCC[C@H]2C)cc1,C36066464_decoy,CP3A4,Decoy,0 +CCn1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,C08596777_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1C[NH+]1CCc2cc(OC)c(OC)cc2[C@H]1C,C02946209_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)N3CC[NH+](C)CC3)ccc21,C38673057_decoy,CP3A4,Decoy,0 +CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1,C38904563_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1S[C@H](NC(=O)CS[C@H]2N=NC(N/N=C/c3ccc(OCC)cc3)=[NH+]2)[C@H](C#N)[C@@H]1C,C39404327_decoy,CP3A4,Decoy,0 +CCC[NH2+]Cc1cn(C[C@@H](c2ccccc2O)S(=O)(=O)Oc2ccccc2)c2ccc(C(=O)OC)cc12,C39491751_decoy,CP3A4,Decoy,0 +CCC[NH2+]Cc1cn(C[C@H](c2ccccc2O)S(=O)(=O)Oc2ccccc2)c2ccc(C(=O)OC)cc12,C39491752_decoy,CP3A4,Decoy,0 +COc1ccc2[nH]cc(CCNC(=O)[C@H]3CN(C(=O)[C@H]4CC(C)=NN4C(C)(C)C)CC34CC[NH2+]CC4)c2c1,C39599316_decoy,CP3A4,Decoy,0 +Cc1cccc(CCNC(=O)[C@@H]2CN(C(=O)COc3cccc4c(C)cc(=O)oc34)CC23CC[NH2+]CC3)c1,C39689482_decoy,CP3A4,Decoy,0 +Cc1cccc(CCNC(=O)[C@H]2CN(C(=O)COc3cccc4c(C)cc(=O)oc34)CC23CC[NH2+]CC3)c1,C39689483_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N2[C@@H](C(=O)NCC[NH+]3CCCC3)CS[C@@H]2c2ccc(F)cc2)cc(OC)c1OC,C40362288_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H](c3ccc4c(c3)CCN4C)[NH+]3CCCCC3)cc21,C49508785_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2/C(=[NH2+])N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C,C27549828_decoy,CP3A4,Decoy,0 +Cc1ccc(OCCCn2cc(/C=C3/C(=[NH2+])N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1,C20206032_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc2cc(C(=O)Nc3ccc(F)cc3)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc2c1,C59170683_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(N2CC[NH+](C3CCCCC3)CC2)cc1,C59212468_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1N1CC[NH+](C2CCCCC2)CC1,C34687292_decoy,CP3A4,Decoy,0 +CC1=C2C(=C(NC(=O)CSc3nc4ccccc4c(=O)n3CC[NH+](C(C)C)C(C)C)O[C@@H]2C)C(=O)N=N1,C39780282_decoy,CP3A4,Decoy,0 +O=C(CN1C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1,C63240768_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C1CCN3C(=O)N([C@@H](C)C(=O)NCCc4ccc(OC)c(OC)c4)C(=O)[C@]3(C)[C@H]1[NH+]=2,C63363045_decoy,CP3A4,Decoy,0 +COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(C)cc3)N2C1=O,C63375613_decoy,CP3A4,Decoy,0 +O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Br)cc1Br,C03387112_decoy,CP3A4,Decoy,0 +CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)n1,C08868290_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4cc(C)cc(C)c4)s3)CC2=O)cc1,C08906230_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1)Nc1ccc(F)cc1F,C08908656_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(F)cc4)s3)CC2=O)cc1C,C08909064_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(F)cc4F)s3)CC2=O)cc1C,C08909065_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,C09579460_decoy,CP3A4,Decoy,0 +CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3nc4ccc(C)cc4s3)C(C)C)ccc21,C09692150_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC,C00714784_decoy,CP3A4,Decoy,0 +CCc1cccc(C)c1NC(=O)CSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O,C09974284_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)c2sc(NC(=O)c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)nc2C1,C10462792_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc2nc(NC(=O)CCc3csc(NC(=O)c4cccs4)n3)sc2c1,C11834964_decoy,CP3A4,Decoy,0 +CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)sc2c1CCCCC2,C12064337_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)CN(C(=O)C[S@+]([O-])CC(=O)Nc1ccc(F)cc1)c1cccc2c1CCCC2,C12472812_decoy,CP3A4,Decoy,0 +CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O,C13102339_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)o2)cc1C,C09946917_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1,C14110835_decoy,CP3A4,Decoy,0 +CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1,C14237696_decoy,CP3A4,Decoy,0 +O=C(CSc1ccc(Br)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,C15948138_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N/N2CC(=O)N3[C@@H](c4ccccc4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)ccc1O,C15953616_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1ccc(F)cc1Br)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1,C17837052_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Br,C20284231_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cccc(NC(=O)CSc2cn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)c1,C20922904_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)c1cc(Cl)c2c(c1)OCCO2,C21499171_decoy,CP3A4,Decoy,0 +O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12,C21630787_decoy,CP3A4,Decoy,0 +CC(=O)Nc1c2n(c3ccc(F)cc13)C[C@@](C)(C(=O)NC1CCCCCC1)N(C[C@H]1CCCO1)C2=O,C21866698_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc3nc(SCC(=O)NC(=O)NC(C)(C)C)n(C[C@@H]4CCCO4)c(=O)c23)C1,C22203058_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)NCC(F)(F)F,C22860688_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C3SCCCS3)cc2)c1,C22870454_decoy,CP3A4,Decoy,0 +O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1,C24095366_decoy,CP3A4,Decoy,0 +CC(=O)Nc1c2n(c3ccc(F)cc13)C[C@](C)(C(=O)NC1CCCC1)N(CCC1=CCCCC1)C2=O,C33249237_decoy,CP3A4,Decoy,0 +CC(=O)N[C@H]1[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O,C35056656_decoy,CP3A4,Decoy,0 +CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccccc4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)c1,C33939858_decoy,CP3A4,Decoy,0 +COc1cc([C@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(C)C(=O)C#Cc2ccccc2)ccc1O,C36530616_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(S[C@H]3N=C4C=CC=C[C@@H]4N3)o2)C1=O,C39287259_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(S[C@@H]4N=C5C=CC=C[C@@H]5N4)o3)C2=O)cc1,C39352940_decoy,CP3A4,Decoy,0 +CSC1=C2Nc3ccccc3C[NH+]2[C@@H](C(=O)N(c2ccccc2)S(=O)(=O)Oc2ccccc2)C1,C39545365_decoy,CP3A4,Decoy,0 +CC[C@@H](C(=O)N(C)[C@H](C(=O)Nc1c(C)cccc1C)c1ccc(O)cc1)N1C(=O)c2ccccc2C1=O,C03143094_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1,C38702037_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[NH2+][C@](CC3CCCCC3)(C(=O)[O-])[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c(OC)c1C,C33575092_decoy,CP3A4,Decoy,0 +C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H]1CCCCNC1=O,C43740112_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(NC[C@H](O)Cn2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1,C13574269_decoy,CP3A4,Decoy,0 +CCN1C(=O)[C@]2(C(C(=O)OC(C)(C)C)=C(C)OC(N)=C2C(=O)OC)c2cc(Br)ccc21,C59293434_decoy,CP3A4,Decoy,0 +C=CCn1c(CCc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NNC(C)=O,C59877694_decoy,CP3A4,Decoy,0 +CCOc1c(Br)cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC,C12539046_decoy,CP3A4,Decoy,0 +CCOc1ccc(C2=NN=C3OC(N)=C(C#N)[C@H](c4cc(OC)c(OC)cc4Br)[C@@H]32)cc1,C09282140_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=NC(=O)NC(=O)[C@@H]2[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC,C63637709_decoy,CP3A4,Decoy,0 +CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cc(F)ccc4F)C3)c(C)cc2NC1=O,C35379229_decoy,CP3A4,Decoy,0 +CCCN1C(=O)c2c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)ncn2C[C@]1(C)C(=O)NC1CCCC1,C64953656_decoy,CP3A4,Decoy,0 +Cc1ccsc1CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C(=O)N1CCCCCC1)S2,C65021963_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](O)N(C)C(=S)N1,C01456647_decoy,CP3A4,Decoy,0 +CC[C@@]1(C)NC(=O)NC1=O,C00160461_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1N,C00158485_decoy,CP3A4,Decoy,0 +Cc1nc(N)n(C)c(=O)c1C,C00170933_decoy,CP3A4,Decoy,0 +Cc1c(N)no[n+]1[O-],C01082447_decoy,CP3A4,Decoy,0 +CC1(C)NNC(=O)O1,C01621714_decoy,CP3A4,Decoy,0 +Cc1c(O)ccc(=O)n1O,C01681305_decoy,CP3A4,Decoy,0 +Cc1nn(C)cc1N,C02388744_decoy,CP3A4,Decoy,0 +Cc1c(Cl)c(N)nn1C,C02537815_decoy,CP3A4,Decoy,0 +Nc1nc(C(F)(F)F)co1,C04198753_decoy,CP3A4,Decoy,0 +Nc1ncc2c(n1)CCCC2,C04428669_decoy,CP3A4,Decoy,0 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+CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(-c3ccccc3)cn2N)cs1,C09647072_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N/N=C\c1ccc(Br)o1,C10039949_decoy,CP3A4,Decoy,0 +C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)C1=O,C10699947_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl,C11336035_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1cc(Br)ccc1Cl)NC(=O)NC12CC3CC(CC(C3)C1)C2,C11481443_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccc2ccccc12,C12569779_decoy,CP3A4,Decoy,0 +O=C(CNc1cccc(OC2CCCC2)c1)Nc1cc2c(cc1Br)OCCO2,C12537139_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CC[C@H](C)C4)cc1,C01375673_decoy,CP3A4,Decoy,0 +CCC(=O)Nc1cc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)ccc1C,C01326311_decoy,CP3A4,Decoy,0 +CCCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nc2sc3c(c2c1=O)CCC3,C10396025_decoy,CP3A4,Decoy,0 +O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Br)cccc12,C01180664_decoy,CP3A4,Decoy,0 +Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c2Cl)cc1,C14844982_decoy,CP3A4,Decoy,0 +CNC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1,C16613859_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(=S)sc2c(=O)[nH]c(SCC(=O)Nc3cc(F)ccc3F)nc21,C17143750_decoy,CP3A4,Decoy,0 +COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NNC(=O)c5cccc(N(C)C)c5)(C4)C2)C3)cc1,C17252516_decoy,CP3A4,Decoy,0 +C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2sc3c(c2c1=O)CC[C@H](C)C3,C18257015_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1,C18284262_decoy,CP3A4,Decoy,0 +O=C1/C(=C\NCCc2ccc(O)cc2)C(c2ccccc2)=NN1c1nc2ccccc2s1,C19631907_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O,C01454485_decoy,CP3A4,Decoy,0 +CCNC(=O)NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12,C09741774_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(OC)c1OC,C21250611_decoy,CP3A4,Decoy,0 +CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1,C21722871_decoy,CP3A4,Decoy,0 +O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1,C24950566_decoy,CP3A4,Decoy,0 +COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1,C26685984_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc3c(s2)C[NH+]([C@@H](C(=O)[O-])c2c[nH]c4cc(Cl)ccc24)CC3)cc1,C31814317_decoy,CP3A4,Decoy,0 +CC(C)OC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1,C33780881_decoy,CP3A4,Decoy,0 +Cc1cc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)c(C)c2cc1C,C34988868_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)/C(C#N)=C1\Nc2ccccc2S1,C23893520_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1OC,C14479139_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)[C@@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](O)c2ccccc21,C38904332_decoy,CP3A4,Decoy,0 +CC(/C=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1)=C/c1ccccc1,C39843463_decoy,CP3A4,Decoy,0 +CCC[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1,C39920453_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccccc1,C39967498_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O,C40337820_decoy,CP3A4,Decoy,0 +CSc1ccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1,C39898805_decoy,CP3A4,Decoy,0 +COCCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(Br)c1,C38704719_decoy,CP3A4,Decoy,0 +COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(Br)cc1,C38704803_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)cc1,C45527674_decoy,CP3A4,Decoy,0 +Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)c1,C12040251_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2O)cc1,C01464826_decoy,CP3A4,Decoy,0 +COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1,C58848475_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1,C58912652_decoy,CP3A4,Decoy,0 +Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1Cl,C58913710_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1cccc(Cl)c1Cl,C59042005_decoy,CP3A4,Decoy,0 +O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1nc2ccc(Br)cc2s1,C59774546_decoy,CP3A4,Decoy,0 +CC[C@]1(c2ccc(NC(=O)Cc3coc4cc(C)c(C(C)C)cc34)cc2)CCC(=O)NC1=O,C59989487_decoy,CP3A4,Decoy,0 +Cc1ccc(SCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)c(C)c1,C23643934_decoy,CP3A4,Decoy,0 +Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2n1,C06786909_decoy,CP3A4,Decoy,0 +C=C(C)COc1ccc2c(C)c(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1,C08765150_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4cccc5ccccc45)cc2)N3)C1,C09008384_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Br)C1,C09151115_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)c(Cl)cc2OC)cc1Br,C09155990_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1,C09165253_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc([C@H]2N=C(c3ccc(Br)cc3)C[C@H](c3ccccc3O)[NH2+]2)cc1,C09542027_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc2c1CC(C)(C)[NH2+]C2(C)C,C10061552_decoy,CP3A4,Decoy,0 +Cc1cccc2sc(NC(=O)C(=O)NC[C@H](c3cccc4ccccc34)[NH+](C)C)nc12,C10085696_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1,C12005151_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[NH+]1Cc1cc2ccccc2[nH]c1=O,C12072510_decoy,CP3A4,Decoy,0 +O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)C[C@H]([NH2+]C1CCCC1)CC3,C12161956_decoy,CP3A4,Decoy,0 +CCOC(=O)C[NH+]1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc(O)cc1,C12311761_decoy,CP3A4,Decoy,0 +Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2ccc(Oc3ncccn3)cc2)c1,C12571453_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1NC(=O)C[NH+](C)[C@H](C)C(=O)Nc1cccc2ccccc12,C12695459_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@@H]3CCCC[NH+]32)cc1O,C13407230_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2,C15001397_decoy,CP3A4,Decoy,0 +Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccc(OC4CCCC4)cc3)c(O)c2n1,C15015895_decoy,CP3A4,Decoy,0 +CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCCC3)CC1,C15946527_decoy,CP3A4,Decoy,0 +NC(=O)[C@H]1CCCC[NH+]1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2,C16047073_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1,C20532252_decoy,CP3A4,Decoy,0 +CCc1ccc(/[NH+]=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)cc1,C20617405_decoy,CP3A4,Decoy,0 +CC(C)(C)c1cc(/C=N/N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)cc(C(C)(C)C)c1O,C09482275_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)Cc1ccc(OC(F)F)cc1,C20687746_decoy,CP3A4,Decoy,0 +O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCC[NH+]1CCCC1,C20988263_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)Nc1ccc(Br)cc1F)[NH+](C)CC(=O)Nc1ccccc1Br,C23038652_decoy,CP3A4,Decoy,0 +Cc1c(C#N)c(NC(=O)C[NH+]2CC=C(c3ccc(O)cc3)CC2)n(C2CCCCC2)c1C,C25680456_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(Br)c1,C29148946_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1,C29235917_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C/C=C/c2ccccc2)CC1,C24071542_decoy,CP3A4,Decoy,0 +Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N[C@H]3CCC[C@H](C)[C@@H]3C)cc12,C36075009_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1,C00970742_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H](Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,C08385082_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1,C38517674_decoy,CP3A4,Decoy,0 +Cc1cccc(N[C@@H](c2ccc(Cl)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)[nH+]1,C38547559_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1Nc2ccccc2N1Cc1ccccc1)N/N=C/C1=c2ccccc2=[NH+]C1,C38937219_decoy,CP3A4,Decoy,0 +O=C(NC1CCCCCC1)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,C39633764_decoy,CP3A4,Decoy,0 +CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc[nH+]c(N(Cc3ccccc3)c3ccccn3)c2N)C1,C40735296_decoy,CP3A4,Decoy,0 +C[C@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1)C(=O)NC1CCCC1,C44658317_decoy,CP3A4,Decoy,0 +COc1ccccc1-c1nc(COC(=O)c2sc3[nH+]c(C)cc(C)c3c2N)cs1,C46586099_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(/[NH+]=c2/oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)c1,C02953194_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1,C15947159_decoy,CP3A4,Decoy,0 +Cc1c(O)ccc2c1OC(=O)[C@@H](CCC(=O)NCCC1=c3cc(F)ccc3=[NH+]C1)[C@H]2C,C63486021_decoy,CP3A4,Decoy,0 +O=C(/N=C(/NCCC1=c2ccccc2=[NH+]C1)Nc1ccccc1)c1ccc(Br)cc1,C63588685_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@@H](NC(=O)CC2=c3ccccc3=[NH+]C2)c2ccc(C)cc2)cc1,C63617059_decoy,CP3A4,Decoy,0 +CCOc1ccccc1CNC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(C)cc1,C63752464_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1COc2ccccc2O1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1,C64175259_decoy,CP3A4,Decoy,0 +CCCNC(=O)C1CCN(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)[C@H]2CC=CS2)CC1,C64202776_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccc(O)cc1)[C@H]1[NH+]=c2ccc(Br)cc2=C1c1ccccc1,C64277651_decoy,CP3A4,Decoy,0 +CC1=C(S(=O)(=O)NC[C@@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)[C@@H](C)ON1,C64713479_decoy,CP3A4,Decoy,0 +Cc1cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1,C08708329_decoy,CP3A4,Decoy,0 +Cc1sc2nc(CSc3ccccc3)nc(N3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)c2c1C,C09536460_decoy,CP3A4,Decoy,0 +Cc1c(C)n2c3c(=O)n(CCC[NH+](C)Cc4ccccc4)c(=O)n(C)c3nc2n1-c1ccc(F)cc1,C10108279_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)cc1,C10435185_decoy,CP3A4,Decoy,0 +COc1cc(-c2cc(C)c3c(OC)ccc(OC)c3n2)cc2c1OCC[NH+](Cc1cn(C)nc1C)C2,C11912905_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCn1c(C)cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc12,C10103752_decoy,CP3A4,Decoy,0 +Cc1csc2nc(CSc3nnc([C@H](C)[NH+]4CCCCC4)n3-c3ccc(F)cc3)cc(=O)n12,C09139955_decoy,CP3A4,Decoy,0 +COP(=Nc1ccc([N+](=O)[O-])cc1)(OC)C1=C([NH+]2CCOCC2)C(=Cc2ccccc2)CCC1,C13305363_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCn1c(SCc2cc(=O)n3ccsc3n2)nc2sc3c(c2c1=O)CCCC3,C22215354_decoy,CP3A4,Decoy,0 +Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)[nH+]1,C17012851_decoy,CP3A4,Decoy,0 +C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)CC1,C23849344_decoy,CP3A4,Decoy,0 +CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)[nH+]c3cccnc32)cc1,C33139362_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)[nH+]c3cccnc32)c1,C33139397_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(S(=O)(=O)N2CCc3nc(-c4ccccc4)nc(N4CC[NH+](C)CC4)c3C2)c(C)c1,C33599144_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(sc3nc(-c4ccccc4)nc(N4CC[NH+](CC(=O)N5CCCC5)CC4)c23)CO1,C34749863_decoy,CP3A4,Decoy,0 +Cc1ccc(N2CCN(c3nc(N(C)C)c4c([nH+]3)CCN(C(=O)c3c(F)cccc3F)C4)CC2)cc1,C34756363_decoy,CP3A4,Decoy,0 +C=C(C)C[NH+]1CCN(c2nc(SCC(=O)N3CCOCC3)nc3sc4c(c23)CCCC4)CC1,C34756662_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1,C35486920_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nnc2-c2cccs2)cc1,C35590232_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(S(=O)(=O)c2ccccc2)CC3)CC1,C35920087_decoy,CP3A4,Decoy,0 +C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1,C36045190_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2[C@H](C(=O)N1c1ccc(N3CC[NH+](C/C=C/c4ccccc4)CC3)c([N+](=O)[O-])c1)[C@@H]1C=C[C@H]2C1,C36213636_decoy,CP3A4,Decoy,0 +CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)[nH+]c2c1CN(C(=O)c1cccc(F)c1)CC2,C34676594_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC,C38712863_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](C)C)[C@@H]3c1cccc(Br)c1,C38726894_decoy,CP3A4,Decoy,0 +Cc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12,C36644855_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@@H]1C1=NN(C(=O)[C@@H]2CCCO2)[C@@H](c2ccco2)C1,C39964706_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+]C(=O)[C@@H]([C@H]1c3cc(OC)c(OC)cc3CCN1C(=O)c1cccc(F)c1)C=2,C40010194_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+]C(=O)[C@@H]([C@H]1c3cc(OC)c(OC)cc3CCN1C(=O)c1ccccc1F)C=2,C40010731_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1)N1N=C(c2cccs2)C[C@H]1c1ccco1,C62613468_decoy,CP3A4,Decoy,0 +CC(C)c1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N23)cc1,C63136857_decoy,CP3A4,Decoy,0 +CC(C)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1,C63136859_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N23)c1,C63137688_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(F)cc1,C63139652_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(Cc3ccc(F)cc3)CC(=O)N12,C63140578_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc(Cl)c3)N2C(=O)CN1Cc1ccc2c(c1)OCO2,C63141127_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1F,C63141625_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2CN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,C63350916_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1/N=C/c1ccc(Cl)cc1Cl,C63351455_decoy,CP3A4,Decoy,0 +CCc1ccc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63372546_decoy,CP3A4,Decoy,0 +CCc1ccc([C@@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C23)cc1,C63372550_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)cc1OC,C63372697_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OC,C63374470_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C23)cc1OC,C63374473_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3[C@H]3[NH+]=c4ccccc4=C23)cc1OC,C63375322_decoy,CP3A4,Decoy,0 +COc1cccc(C(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@H]3[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1,C63526813_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(SC)cc2)cc(OC)c1OC,C63697591_decoy,CP3A4,Decoy,0 +O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1F,C63761096_decoy,CP3A4,Decoy,0 +COC(=O)c1sc2nc(C)nc(S[C@H](C(=O)C3=c4ccccc4=[NH+]C3)c3ccccc3)c2c1C,C40051788_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C4=c5ccccc5=[NH+]C4)CC3)cc2)cc1,C63908545_decoy,CP3A4,Decoy,0 +Cc1coc2cc3oc(=O)c(CC(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)c(C)c3cc12,C08764907_decoy,CP3A4,Decoy,0 +O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[NH+]12,C09158449_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[NH+]2[C@@H]3C(=O)c2cccs2)c(C)c1,C09307408_decoy,CP3A4,Decoy,0 +Cc1cc(C)nc(Sc2nc(C[NH+]3CCOCC3)nc3scc(-c4cccs4)c23)n1,C09365076_decoy,CP3A4,Decoy,0 +CCS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)c1,C09385302_decoy,CP3A4,Decoy,0 +C=CCc1cccc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc12,C09446148_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[NH+]1[C@@H]2C(=O)C(C)(C)C,C09499066_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCN(S(=O)(=O)c4cccs4)CC3)n2c1,C09595405_decoy,CP3A4,Decoy,0 +Cc1ccn([C@H](C(=O)c2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c1,C09601248_decoy,CP3A4,Decoy,0 +Cc1cc(=O)c(C(=O)N2CC[NH+](C(C)C)CC2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2,C11872268_decoy,CP3A4,Decoy,0 +O=C([C@H]1CC12CCN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2)N1CCN(c2cccc[nH+]2)CC1,C12003674_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c(OC)c1OC,C12028046_decoy,CP3A4,Decoy,0 +O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](c1ccco1)[NH+]1CCCC1,C12062782_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1,C12573092_decoy,CP3A4,Decoy,0 +Fc1ccc(Cn2nnnc2[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1,C12642245_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1,C13020613_decoy,CP3A4,Decoy,0 +CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH+]1CCC3(C=Cc4ccccc43)CC1)CC2,C14543264_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@@H](C/N=C/C1C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)c1cccs1,C12546347_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C[C@H]1COc2ccccc2O1,C16378682_decoy,CP3A4,Decoy,0 +CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N1CCC([NH+]3CCCCC3)CC1)CC2,C14539803_decoy,CP3A4,Decoy,0 +CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](N1CCC([NH+]3CCCCC3)CC1)CC2,C14539804_decoy,CP3A4,Decoy,0 +Brc1ccc(CN2CCc3nc(N4CCN(c5cccc[nH+]5)CC4)ncc3C2)cc1,C15779619_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(Cn2nc(-c3sc4ccccc4c3Cl)n(-c3ccccc3)c2=S)CC1,C22036786_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(c2nc(-c3ccccc3)nc3sc4c(c23)CCC4)CC1)N1CCCCC1,C34756918_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)C(C)(C)C)[C@H](C)C1,C34829790_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)C(C)(C)C)[C@H](C)C1,C34829791_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1,C34830323_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C[C@H]1COc2ccccc2O1,C34871991_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Br)c1,C35486346_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1,C35486653_decoy,CP3A4,Decoy,0 +CCc1cc(N2CCCC[C@H]2C)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1,C36028359_decoy,CP3A4,Decoy,0 +CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@H]1c1ccccc1F,C38600639_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1C1=NN(C(=O)CCl)[C@H]([C@@H]2CC=CO2)C1,C38799076_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)C2,C23353570_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C=2,C39709268_decoy,CP3A4,Decoy,0 +CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH+](C)CC13CC4CC(CC(C4)C1)C3)C2,C14536403_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H](C)CCC[C@H]1[NH+](CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)Cc1c(F)cccc1Cl,C58210269_decoy,CP3A4,Decoy,0 +CC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccccc3=C2c2ccccc2)C[C@H]1c1ccc2ccccc2n1,C39780254_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(C4CCC(C)CC4)CC(=O)N32)c1,C63137461_decoy,CP3A4,Decoy,0 +CC(C)c1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N23)cc1,C63138931_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccc(C)cc4)CC(=O)N23)cc1,C63139485_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@H]4[C@@H]3c3ccccc3)C2=O)cc1,C63139644_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCc3ccc(F)cc3)CC(=O)N21,C63140782_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCCCC4)CC(=O)N23)c1,C63140897_decoy,CP3A4,Decoy,0 +CC(C)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(Br)cc2)C1=O,C63142157_decoy,CP3A4,Decoy,0 +CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2cccc(Br)c2)C1=O,C63142381_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc(C2=NO[C@H](C(F)(F)F)C2)s1)N1CCC2=c3cc(F)ccc3=[NH+][C@@H]2C1,C63151205_decoy,CP3A4,Decoy,0 +C[C@@H]1[NH+]=c2ccccc2=C1C(=O)CS[C@H](C)C1=NC(=O)C2=C(c3cccs3)CSC2=N1,C39943386_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc(CC(=O)N3CC[C@H]4[NH+]=c5ccc(F)cc5=C4C3)cs2)cc1OC,C63328840_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1CN2C(=O)N(c3ccccc3C)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12,C63372558_decoy,CP3A4,Decoy,0 +O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1c[nH]c2ccccc12,C03600927_decoy,CP3A4,Decoy,0 +CCSc1nnc2c(n1)O[C@@H](c1ccc(O)cc1)Nc1ccccc1-2,C01190818_decoy,CP3A4,Decoy,0 +Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O,C01200470_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc(Cl)c1O,C04872943_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)c2sc(NNC(=O)c3ccc(C#N)cc3)nc12,C05256664_decoy,CP3A4,Decoy,0 +Cc1cccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)c1C,C01049458_decoy,CP3A4,Decoy,0 +O=C1NCCOc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21,C08961814_decoy,CP3A4,Decoy,0 +Cc1n[nH]c(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)c1C,C09686773_decoy,CP3A4,Decoy,0 +Cc1ccc(NC2=NNC(=C3C=CC(=NS(C)(=O)=O)C=C3)CS2)cc1,C09379029_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccccc2F)c(C)c1,C11694864_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@H]2[C@@H](c3cccs3)n3ncnc3N[C@@H]2C)c(C)c1,C11694941_decoy,CP3A4,Decoy,0 +CC1(C)O[C@H](C(=O)NC2CCCCC2)[C@H](C(=O)NC2CCCCC2)O1,C17723907_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)no2)cc1,C19665375_decoy,CP3A4,Decoy,0 +C/N=c1\scc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1C,C25665737_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc2ccccc2n1,C28619377_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCC[C@H]1N1CNC(=NS(=O)(=O)c2ccc(F)cc2)NC1,C30874954_decoy,CP3A4,Decoy,0 +C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C#N)c(Cl)c1,C28871730_decoy,CP3A4,Decoy,0 +C[C@H]1CN(CC(=O)/N=c2/[nH]c(-c3c[nH]c4ccccc34)cs2)C[C@H](C)O1,C12974814_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)N1CCC(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1,C32913101_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)Cn2c(=O)[nH]c3sc4c(c3c2=O)CCCC4)cc1,C34727067_decoy,CP3A4,Decoy,0 +C[C@@H]1Nc2ncnn2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccc(Cl)cc1,C36701731_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(C(=O)Nc2nn(C)c3c2[C@@H](c2cccs2)CC(=O)N3)c1,C38520149_decoy,CP3A4,Decoy,0 +Cc1ccccc1C1=NN2[C@H](NN[C@@H]2[C@@H]2C=C(c3ccccc3)N=N2)SC1,C38966365_decoy,CP3A4,Decoy,0 +CC1=C[C@H]([C@@H]2NN[C@H](S)N2/N=C/c2cccc(Cl)c2Cl)N=N1,C38979398_decoy,CP3A4,Decoy,0 +CC1=C[C@@H]([C@H]2NN[C@H](S)N2/N=C/c2ccc(Cl)cc2Cl)N=N1,C38980561_decoy,CP3A4,Decoy,0 +S[C@H]1NN[C@H]([C@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1cccs1,C38984027_decoy,CP3A4,Decoy,0 +CCOCc1c(C)cc(C)c([C@H]2C(C#N)=C(N)O[C@@H]3N=NC(C)=C23)c1C,C39370968_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1C(C#N)=C(N)OC2=NN=C(c3ccc(C)cc3)[C@@H]21,C20033313_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2cccs2)CC(=O)N3)cc1C,C44388812_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1,C45673942_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1,C46669368_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](C)c2ccccn2)C[C@@H](C)O1,C47807563_decoy,CP3A4,Decoy,0 +O=C1NCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(I)c1,C49980302_decoy,CP3A4,Decoy,0 +O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1,C56543493_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(NC(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)c1,C56546735_decoy,CP3A4,Decoy,0 +Cc1csc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1,C56782998_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cc2ccccc2s1,C47277456_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)NNC(=O)c2oc3ccc(C)cc3c2C)cc1,C59400035_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21,C20737414_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=NN=C(c3ccccc3)[C@@H]21,C05044917_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=NN=C(c3ccccc3)[C@@H]21,C05044918_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)ccc1O,C36366837_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1,C06027038_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cc(Br)ccc1F)/N=c1/[nH]nc(-c2ccccn2)[nH]1,C64372478_decoy,CP3A4,Decoy,0 +CCCn1c(=O)[nH]c2cc(C3=NO[C@H](c4ccccc4Cl)N3)ccc21,C64891277_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(S(=O)(=O)/N=c2\[nH]c3c(s2)C[C@H](C)CC3)cc1,C14221975_decoy,CP3A4,Decoy,0 +Cc1nc2c3ccccc3nc(NC[C@]3(O)CCCc4ccccc43)n2n1,C66859917_decoy,CP3A4,Decoy,0 +C[C@H]1c2cccn2CCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,C15416844_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1,C67319284_decoy,CP3A4,Decoy,0 +COc1nc2ccccc2cc1-c1cc(-c2ccccn2)nc(N)c1C#N,C67642327_decoy,CP3A4,Decoy,0 +C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[NH+](C)[C@@H]1c1ccccc1,C04016129_decoy,CP3A4,Decoy,0 +C[NH+]1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1,C04128618_decoy,CP3A4,Decoy,0 +Clc1cc2c(c3ncccc13)OC[NH+](CCC1=CCCCC1)C2,C04123454_decoy,CP3A4,Decoy,0 +C1CCCCCC2(CCCCC1)OC[C@@H](C[NH+]1CCCCC1)O2,C00286761_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CN(C2=[NH+]CCCC2)c2ccccc2C)cc1,C08411457_decoy,CP3A4,Decoy,0 +C[NH+](C)CCC1=Cc2cc(Cl)ccc2Sc2ccccc21,C00347697_decoy,CP3A4,Decoy,0 +O=C(c1cc2c(s1)CCCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1,C10030547_decoy,CP3A4,Decoy,0 +CN1CCC[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)CC1,C19634085_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)Cc1ccc(F)cc1S2,C19802292_decoy,CP3A4,Decoy,0 +O=C1CC[C@@H]2C[NH+](C3CCCCC3)CC[C@@H]2N1CC1CCCCC1,C20534297_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CN(C2=[NH+]CCCS2)c2cc(C)ccc2C)cc1,C27027199_decoy,CP3A4,Decoy,0 +Cc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCS2)c(C)c1,C27027243_decoy,CP3A4,Decoy,0 +Cc1ccc(N(CC(=O)c2cccc(C)c2C)C2=[NH+]CCCS2)cc1,C28527690_decoy,CP3A4,Decoy,0 +CCOc1ccccc1C[NH+]1CCCCC[C@@H]1c1ccc(C)s1,C33087270_decoy,CP3A4,Decoy,0 +[N-]=[N+]=[NH+][C@H](c1ccccc1)[C@H](I)c1ccccc1,C04946494_decoy,CP3A4,Decoy,0 +CN(C)/C=[NH+]\C(=S)c1sccc1CSc1ccc(Cl)cc1,C35581593_decoy,CP3A4,Decoy,0 +Cc1ccccc1C[NH+]1CCCn2cccc2[C@H]1c1cc(F)ccc1F,C35792104_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(C[NH+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)c1,C35809686_decoy,CP3A4,Decoy,0 +CCc1ccccc1C[NH+]1CCCn2cccc2[C@H]1c1ccc(C)cc1,C36347265_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2c3cccn3CCC[NH+]2Cc2ccccc2C)cc1,C36347755_decoy,CP3A4,Decoy,0 +CCc1ccc(C[NH+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)cc1,C36348135_decoy,CP3A4,Decoy,0 +CCc1ccc(C[NH+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1,C36348399_decoy,CP3A4,Decoy,0 +CCc1ccc(C[NH+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1,C36348400_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2c3cccn3CCC[NH+]2Cc2cccc(F)c2)c(C)c1,C36348475_decoy,CP3A4,Decoy,0 +CCc1ccccc1C[NH+]1CCCn2cccc2[C@@H]1c1ccccc1CC,C36348580_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2c3cccn3CCC[NH+]2Cc2ccsc2)cc1C,C37523154_decoy,CP3A4,Decoy,0 +C[NH+](C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,C00002264_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCn2c3c(c4cc(Br)ccc42)CCC[C@H]31,C00448437_decoy,CP3A4,Decoy,0 +Cc1c([NH+]2CCCC2)cc2c(c1-n1cccc1)C(C)(C)CC2(C)C,C01048268_decoy,CP3A4,Decoy,0 +C[NH+]=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C1,C04521520_decoy,CP3A4,Decoy,0 +C=C[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C[NH+](C)C,C39289459_decoy,CP3A4,Decoy,0 +Brc1cccc(C2=C[C@H](c3cccc(Br)c3)[NH+]=N2)c1,C39299614_decoy,CP3A4,Decoy,0 +Cc1ccc(N2CCN(c3ccc(C)cc3)C2[C@@H]2C=CC=[NH+]2)cc1,C39409840_decoy,CP3A4,Decoy,0 +Cl[C@@H]1C[NH+](Cc2ccccc2)[C@]2(CC[C@H](Cc3ccccc3)C2)C1,C39503107_decoy,CP3A4,Decoy,0 +CCO[C@H]1C[NH+](Cc2ccccc2)[C@@]2(CC[C@H](Cc3ccccc3)C2)C1,C39503204_decoy,CP3A4,Decoy,0 +F[C@H]1CC[C@@]2(C1)[C@H](Cc1ccccc1)CCC[NH+]2Cc1ccccc1,C39512124_decoy,CP3A4,Decoy,0 +CO[C@@H]1CCC[C@@]2(CCC[C@H](Cc3ccccc3)[NH+]2Cc2ccccc2)C1,C39520630_decoy,CP3A4,Decoy,0 +CS[C@H]1CCC[C@@]2(CCC[C@H](Cl)[NH+]2Cc2ccccc2)C1,C39520890_decoy,CP3A4,Decoy,0 +CCO[C@H]1CCC[C@@]2(CCC[C@H](Cl)C2)[NH+]1Cc1ccccc1,C39520990_decoy,CP3A4,Decoy,0 +CCO[C@@H]1CCC[C@@]2(CCC[C@H](Br)C2)[NH+]1Cc1ccccc1,C39520997_decoy,CP3A4,Decoy,0 +CCO[C@H]1CCC[C@@]2(CCC[C@H](Br)C2)[NH+]1Cc1ccccc1,C39520998_decoy,CP3A4,Decoy,0 +c1ccc(C2=c3cc4ccccc4cc3=[NH+][C@@H]2c2ccccc2)cc1,C39580630_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCCn3cccc3[C@@H]2c2cc(F)ccc2F)c(C)c1,C40410308_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(-c2cnc(C[NH+]3C[C@H](C)C[C@H](C)C3)o2)cc1,C41362978_decoy,CP3A4,Decoy,0 +CC1=C(CC[NH+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)C(C)(C)CCC1,C22587896_decoy,CP3A4,Decoy,0 +Clc1cccc(Cl)c1CN(Cc1ccccc1)C1=[NH+]CCCS1,C17075026_decoy,CP3A4,Decoy,0 +COc1cc(C)c([C@H](Cl)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1,C62348171_decoy,CP3A4,Decoy,0 +N#C/C(=C\C1=c2ccccc2=[NH+]C1)[C@H]1N=C(c2ccc(Cl)cc2)CS1,C39949658_decoy,CP3A4,Decoy,0 +FC(F)(F)c1cccc(/C=[NH+]/Cc2ccc(-c3cccs3)s2)c1,C01039560_decoy,CP3A4,Decoy,0 +Brc1ccc(CSC2=c3ccccc3=[NH+]C2)cc1,C63642913_decoy,CP3A4,Decoy,0 +CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)[NH2+][C@H](c3ccccc3O)C2)cc1,C04729400_decoy,CP3A4,Decoy,0 +CCOc1ccc(C2=N[C@@H](c3ccccc3OC)[NH2+][C@@H](c3ccccc3O)C2)cc1,C04729421_decoy,CP3A4,Decoy,0 +C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21,C07547036_decoy,CP3A4,Decoy,0 +FC(F)Sc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1,C03339362_decoy,CP3A4,Decoy,0 +O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,C08848207_decoy,CP3A4,Decoy,0 +CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1,C09500274_decoy,CP3A4,Decoy,0 +CCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C(C)C,C11565847_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2,C14466795_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC(=O)Nc2ccc(Br)cc2C)c(C)c1,C14922181_decoy,CP3A4,Decoy,0 +Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CC(C)(C)CO)C4)cc1,C20203544_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2,C20754945_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=S)Nc1cccc(Br)c1)[C@H](c1ccccc1)N1CC[NH+](C)CC1,C22031417_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3nc(C[NH+](CC(C)(C)O)C4CC4)[nH]c(=O)c23)c(C)c1,C35746414_decoy,CP3A4,Decoy,0 +CC(C)[NH2+]CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C36299743_decoy,CP3A4,Decoy,0 +CCC[NH2+]C[C@H](O)COc1c(I)cc(Cl)c2cccnc12,C36330752_decoy,CP3A4,Decoy,0 +CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1OC,C37997144_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@@H](CNC(=O)NCCc3ccccc3)[NH+]3CCCC3)ccc21,C38517595_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=S)NCc1ccccc1,C38984684_decoy,CP3A4,Decoy,0 +CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/C1=c2ccccc2=[NH+]C1,C39412485_decoy,CP3A4,Decoy,0 +CCCCCNC(=O)[C@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C39623339_decoy,CP3A4,Decoy,0 +C[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc12)[C@@H]1CC=CS1)C(=O)N1CCc2ccccc21,C39990848_decoy,CP3A4,Decoy,0 +CC(C)C[NH+](Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)C[C@@H](C)O,C40404912_decoy,CP3A4,Decoy,0 +OCCOCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc12,C40735556_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCc1cccc(C)c1,C40743801_decoy,CP3A4,Decoy,0 +CNC(=O)[C@@H]1C[C@H](NCc2ccc(C(C)C)cc2)C[NH+]1Cc1ccc(Cl)cc1,C23158594_decoy,CP3A4,Decoy,0 +C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)N(CC)CC)[C@H](O)[C@H]1[C@@H]2C,C43548229_decoy,CP3A4,Decoy,0 +CCCCCc1ccc([C@@H]2C[S@+]([O-])C[C@@H](C(=O)NCCc3ccccc3F)[NH2+]2)cc1,C44170775_decoy,CP3A4,Decoy,0 +C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC(=O)NCC(=O)Nc1ccccc1Br,C45773971_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1,C46615719_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)cc1,C46816315_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NCC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)cc1C,C46839553_decoy,CP3A4,Decoy,0 +O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccc2c1CCCC2,C48853828_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1,C03049140_decoy,CP3A4,Decoy,0 +CNC(=O)[C@@H]1C[C@H]([NH2+]CCC2=C(C)CCCC2(C)C)CN1C1Cc2ccccc2C1,C23361972_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1,C35289088_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,C19216516_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)C)c(C)c1,C27537075_decoy,CP3A4,Decoy,0 +O=C(NCCc1ccc(Br)s1)NC[C@@H]1CC[NH+](CC(F)(F)F)C1,C45393826_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)Nc1ccccc1Br)[NH+]1CCCC1,C43133616_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1,C59990102_decoy,CP3A4,Decoy,0 +c1cc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc(Cn2cnc3ccccc32)c1,C62255559_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1,C63270208_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)/C=C1/CS[C@H](c3ccc(F)cc3)N1)C[NH+]=2,C63281535_decoy,CP3A4,Decoy,0 +COc1cccc(F)c1[C@@H]1N[C@H](C)[C@@H](C(=O)NCCC2=c3ccccc3=[NH+]C2)S1,C63295494_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1CCc2ccccc2NC1=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,C63296213_decoy,CP3A4,Decoy,0 +O=C(CCN1CNc2ccccc21)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1cccs1,C64144053_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1Nc2ccccc2O1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1cccs1,C64212906_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1,C22928355_decoy,CP3A4,Decoy,0 +O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Sc1ccccc1,C14671964_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)[NH+](C)C)cc1,C66954747_decoy,CP3A4,Decoy,0 +CCOc1cc(Br)cc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CC[NH+](C)C3)c1O,C02240801_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[NH+](C)C,C09127384_decoy,CP3A4,Decoy,0 +CC[C@H](C(=O)NCCC[NH+](Cc1ccccc1)C(C)C)n1nc(C)c2sc3ccccc3c2c1=O,C09289417_decoy,CP3A4,Decoy,0 +COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)cc1,C09382679_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)CCCSc2ccc(F)cc2)sc2c1CC[NH+](Cc1ccccc1)C2,C09474768_decoy,CP3A4,Decoy,0 +COCC[NH+](CC(=O)Nc1cccc(C)c1C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1,C11468800_decoy,CP3A4,Decoy,0 +CC[C@]1(C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O,C12038095_decoy,CP3A4,Decoy,0 +COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[NH+](Cc3c(F)cccc3F)C2)cc1,C12330988_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@]1(c2ccccc2)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21,C12497405_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1,C12742663_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1,C13065113_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1,C09008510_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C(C)(C)C)[NH+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,C13494566_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1,C09462579_decoy,CP3A4,Decoy,0 +CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(-c4nnc(S)n4CCC[NH+](C)C)cc3N2)cc1,C02791368_decoy,CP3A4,Decoy,0 +C[NH+](CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)Nc1ccccc1Br,C16633344_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1,C09331722_decoy,CP3A4,Decoy,0 +CCOc1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)c2nnc(-c3ccccc3)o2)cc1OC,C21366995_decoy,CP3A4,Decoy,0 +CCOc1c(C)cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C,C21777068_decoy,CP3A4,Decoy,0 +CCOc1c(C)cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C,C21777073_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](C)C[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)C1,C21863317_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCn1c(SCC(=O)NCCCc2ccccc2)nc2sc3c(c2c1=O)CCCC3,C22029286_decoy,CP3A4,Decoy,0 +C=C[C@]1(C)C[C@@H](OC(=O)CSCC[NH+](CC)CC)[C@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@@H]2C)[C@@H](C)[C@@H]1O,C25757055_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCC(C)C)CC[C@H](C)C4)CC1,C27364787_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1NC(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c12,C28616774_decoy,CP3A4,Decoy,0 +O=C(NCCSCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1,C31056632_decoy,CP3A4,Decoy,0 +O=C(NCCSCc1c(Cl)cccc1Cl)[C@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1,C31056634_decoy,CP3A4,Decoy,0 +CCc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)[NH+](C)C)cc1,C32734802_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1cccc(F)c1,C35212498_decoy,CP3A4,Decoy,0 +C[C@H]1CCCCN1c1onc(-c2ccccc2)c1C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1,C35780884_decoy,CP3A4,Decoy,0 +CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCC[NH+](C)C,C34686447_decoy,CP3A4,Decoy,0 +C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1,C38596098_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@@H](CNC(=O)CSCC1=NC(=O)C2=C3CCC[C@H]3SC2=N1)c1c(F)cccc1Cl,C38792871_decoy,CP3A4,Decoy,0 +C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCC[NH+](Cc4nc(-c5ccccc5)no4)C3)cc2)C1,C38885899_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1noc(C[NH+]2CCC[C@@H](C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)C2)n1,C38887477_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)C1,C38905541_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O)C(C)C,C22715928_decoy,CP3A4,Decoy,0 +O=S1(=O)CC[C@@H]([NH+](Cc2cccc(Br)c2)C[C@@H](O)COc2ccccc2Cl)C1,C40314132_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O,C63372400_decoy,CP3A4,Decoy,0 +CC(C)C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O,C63373382_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)CC[C@H]1C(=O)Oc3cc4oc5c(c4cc3[C@H]1C)CCCC5)C[NH+]=2,C63486249_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)CC[C@H]1C(=O)Oc3cc4oc5c(c4cc3[C@@H]1C)CCCC5)C[NH+]=2,C63486254_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)CC[C@@H]1C(=O)Oc3cc4oc5c(c4cc3[C@@H]1C)CCCC5)C[NH+]=2,C63486261_decoy,CP3A4,Decoy,0 +C[C@H]1[NH+]=c2ccc(Br)cc2=C1CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O,C63513835_decoy,CP3A4,Decoy,0 +COc1cc(CN(CCC2=c3cc(F)ccc3=[NH+][C@@H]2C)C(=S)NC(C)(C)C)cc(OC)c1OC,C63655202_decoy,CP3A4,Decoy,0 +COc1cc(CN(CCC2=c3cc(F)ccc3=[NH+][C@H]2C)C(=S)NC(C)(C)C)cc(OC)c1OC,C63655203_decoy,CP3A4,Decoy,0 +CC(=O)c1cccc(NC(=O)CSc2nnc(C3=c4ccccc4=[NH+]C3)n2-c2ccc(Cl)cc2)c1,C63926259_decoy,CP3A4,Decoy,0 +O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,C64002660_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CN1Cc1ccccc1C,C64137359_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1S(=O)(=O)NC[C@H](C1=c2ccccc2=[NH+]C1)c1cccs1,C64713758_decoy,CP3A4,Decoy,0 +O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc21,C04178599_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1,C00032033_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1Nc2ccc(C)cc2[C@H](OC(C)=O)C1(C)C,C00806062_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1Nc1c(-c2ccsc2)nc2ncccn12,C04734033_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1,C00539617_decoy,CP3A4,Decoy,0 +O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cc(Br)ccc1O,C05328232_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)c1csc2c1CCCC2)c1cc2ccccc2o1,C05517024_decoy,CP3A4,Decoy,0 +C[C@H]1CCCCC1=NNC(=O)c1cc(-c2cccs2)nc2ccccc12,C05601725_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C,C02888504_decoy,CP3A4,Decoy,0 +Cc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,C05891916_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(NS(=O)(=O)c3ccc(Cl)s3)sc2c1,C07055260_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2/C(=O)c3ccccc3O[C@H]2c2ccccc2)ccc1O,C01042027_decoy,CP3A4,Decoy,0 +O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cc(Cl)cc(Cl)c1O,C08642178_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c2sc(NS(=O)(=O)c3ccc(Cl)s3)nc12,C08864779_decoy,CP3A4,Decoy,0 +CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1Nc1cccc(Cl)c1C,C06797089_decoy,CP3A4,Decoy,0 +Cc1c(-c2ccccc2)oc2c(C(=O)NCC(C)C)cccc2c1=O,C09340634_decoy,CP3A4,Decoy,0 +Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cc12,C10137849_decoy,CP3A4,Decoy,0 +O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)c1ccccc1,C00283786_decoy,CP3A4,Decoy,0 +CSc1ccc([C@H]2Nc3c(F)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1,C14551879_decoy,CP3A4,Decoy,0 +CSc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1,C14551881_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1,C16136823_decoy,CP3A4,Decoy,0 +CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccc(O)cc1,C16904362_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/Nc2nc3ccc4ccccc4c3s2)cc1,C17124675_decoy,CP3A4,Decoy,0 +Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c1C,C20671865_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)c3cccnc3[C@@H]2Nc2ccc(F)cc2C)cc1,C21107953_decoy,CP3A4,Decoy,0 +CC(=O)N/N=c1/scc(-c2c(C)cc(C)cc2C)n1-c1ccccc1,C26507147_decoy,CP3A4,Decoy,0 +Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)c1,C26580452_decoy,CP3A4,Decoy,0 +Cc1sc(-c2ccco2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2,C32772202_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Cl)c2Cl)cc1,C02284475_decoy,CP3A4,Decoy,0 +C/C(=C\c1ccccc1)c1nc2ncccn2c1NC1CCCCC1,C35170982_decoy,CP3A4,Decoy,0 +CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N[C@H]1CCC[C@H](C)[C@@H]1C,C36127431_decoy,CP3A4,Decoy,0 +COc1ccc(-c2csc3nc(Cl)nc(NC4CC4)c23)cc1,C36278553_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(Cl)c(NCc2ccc(Cl)c(Cl)c2)c1,C37059955_decoy,CP3A4,Decoy,0 +Cc1ccc(Br)cc1N[C@H](C)c1ccc([N+](=O)[O-])cc1,C37091077_decoy,CP3A4,Decoy,0 +Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Br)cc1C,C37516315_decoy,CP3A4,Decoy,0 +O=C1N=C([N-]c2cccc(Cl)c2)S/C1=C\C1=c2ccccc2=[NH+]C1,C38612485_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccccc1N[C@H]1CCc2cc(Br)ccc21,C40227134_decoy,CP3A4,Decoy,0 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+NC(=O)[C@H]1C2=C(CCC2)S[C@H]1NC(=O)CSc1ncc(-c2ccccc2)[nH]1,C39792066_decoy,CP3A4,Decoy,0 +Cc1c(F)cc(C(N)=O)cc1NC(=O)c1[nH]nc(C2CC2)c1Br,C65107738_decoy,CP3A4,Decoy,0 +O=C1CSc2ccc(NC(=O)NCc3ccc(C(=O)NC4CC4)cc3)cc2N1,C66358220_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)c2cc3c([nH]c2=O)CCC3)cc1S(N)(=O)=O,C67328805_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)c2ccc(C)c(NC(C)=O)c2)cc1S(N)(=O)=O,C67328823_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(C)ccc3C)=NN12,C04363532_decoy,CP3A4,Decoy,0 +C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(C)cc1)c1ccnc2ccccc12,C04661256_decoy,CP3A4,Decoy,0 +Cc1cccc(N2C(=O)c3ccccc3[C@]2(c2ccccc2)[NH+]2CCCCC2)c1,C04758821_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(C)c(C)ccc3s2)cc1,C05122522_decoy,CP3A4,Decoy,0 +COc1ccc(CSc2nc(SC)nc3sc4c(c23)CC[NH+](C)C4)cc1,C05156802_decoy,CP3A4,Decoy,0 +CSc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(C)ccc(Cl)c3s2)cc1,C05242697_decoy,CP3A4,Decoy,0 +CN1C(=C[P@](=S)(c2ccccc2)N2CC[NH+](C)CC2)C(C)(C)c2ccccc21,C03170130_decoy,CP3A4,Decoy,0 +C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[NH+](C)[C@@H]1c1ccccc1,C06183790_decoy,CP3A4,Decoy,0 +C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1cccc2ccccc12,C01837145_decoy,CP3A4,Decoy,0 +Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OC[NH+](CCCc1ccccc1)C3,C06940423_decoy,CP3A4,Decoy,0 +O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@@]12[NH+]1CCCC1,C02184609_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc12,C01282705_decoy,CP3A4,Decoy,0 +C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1ccc(-c2ccccc2)cc1,C02324828_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc(C)c(C)cc3s2)cc1C,C09323333_decoy,CP3A4,Decoy,0 +CCc1ccc2nc(N(CC[NH+](C)C)C(=O)Cc3ccc(C)cc3C)sc2c1,C09504314_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(N(CCC[NH+](C)C)C(=O)Cc3ccc(Cl)s3)sc2c1,C10061603_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(CC(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)c(C)c1,C10699744_decoy,CP3A4,Decoy,0 +CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)nc12,C10812549_decoy,CP3A4,Decoy,0 +O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](/C=C/c3ccccc3)[NH+]3CCC[C@@]123,C12202992_decoy,CP3A4,Decoy,0 +c1ccc2c(-c3cn4c5ccccc5nc4n3CC[NH+]3CCCCC3)cccc2c1,C05286553_decoy,CP3A4,Decoy,0 +c1ccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)[nH+]c1,C19632624_decoy,CP3A4,Decoy,0 +c1ccc(N2CCN([C@@H]3CCC[NH+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1,C20231871_decoy,CP3A4,Decoy,0 +C[C@H](c1nnc(S[C@H](C)c2ccccc2Cl)n1-c1ccc(Cl)cc1)[NH+](C)C,C23871761_decoy,CP3A4,Decoy,0 +O=C(/C=C\C1=C([NH+]2CCCC2)Cc2ccccc21)c1ccc(Br)cc1,C33376567_decoy,CP3A4,Decoy,0 +C=C(C)C[NH+]1CCN(c2nc(SC)nc3sc4c(c23)CCCC4)CC1,C34755848_decoy,CP3A4,Decoy,0 +C=CC[NH+]1CCN(c2nc(SCc3ccccc3)nc3sc4c(c23)CCC4)CC1,C34757362_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCCn3cccc3[C@H]2c2cc(C)c(C)cc2C)c(C)c1,C35809814_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2c3cccn3CCC[NH+]2Cc2ccc(F)c(Cl)c2)cc1C,C37522287_decoy,CP3A4,Decoy,0 +C[NH+](CC#C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1,C38549948_decoy,CP3A4,Decoy,0 +CSc1ccc2nc(N(CC[NH+](C)C)C(=O)C34CC5CC(CC(C5)C3)C4)sc2c1,C38845686_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2ccccc2)cc1,C38889910_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H](CN(C(=O)c1cccs1)c1cccc(C)c1C)C(=O)[NH+]=2,C38906385_decoy,CP3A4,Decoy,0 +S=C1N=[NH+][C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1Cl,C38914686_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2cccc(C)c2)cc1,C38925791_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2ccccc2C)c(C)c1,C38964267_decoy,CP3A4,Decoy,0 +S=C1N=[NH+][C@H](c2ccccc2Br)N1/N=C/c1cccc(Cl)c1Cl,C38999827_decoy,CP3A4,Decoy,0 +CCO[C@@H]1CCC[C@]2(CCC[C@H](Cc3ccccc3)C2)[NH+]1Cc1ccccc1,C39520965_decoy,CP3A4,Decoy,0 +CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H]4C=c5ccccc5=[NH+]4)=CC[C@@H]32)C1,C39568782_decoy,CP3A4,Decoy,0 +CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H]4C=c5ccccc5=[NH+]4)=CC[C@@H]32)C1,C39568783_decoy,CP3A4,Decoy,0 +CC[C@@H]1CCCCN1c1ccc2cccc(OCc3cc(C)ccc3C)c2[nH+]1,C36648188_decoy,CP3A4,Decoy,0 +Cc1cccc(OCCCn2c([C@@H](C)[NH+]3CCCCCC3)nc3ccccc32)c1C,C39917407_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(c1ccccc1)[C@H](C(=O)/C=C/c1sccc1C)C(=O)[NH+]=2,C05988536_decoy,CP3A4,Decoy,0 +O=C(/C=C\c1ccc(SC(F)(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1,C54918321_decoy,CP3A4,Decoy,0 +C(=[NH+]/Cc1ccccc1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1,C59946541_decoy,CP3A4,Decoy,0 +O=C(C1=c2ccccc2=[NH+]C1)[C@H](Sc1ccc(Br)cc1)c1ccccc1,C39943531_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2Cl)N1/N=C/C(Cl)=C/c1ccccc1,C38906335_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2ccccc2Cl)cc1,C63395600_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccc(Cl)cc2Cl)cc1,C38935641_decoy,CP3A4,Decoy,0 +CSc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc(C)cc2)cc1,C63697582_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)cc(C[NH+](Cc3ccc(C(C)C)cc3)CC(C)C)nc12,C35502649_decoy,CP3A4,Decoy,0 +CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1,C04020313_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2F)cc1,C04358337_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)c1,C04358808_decoy,CP3A4,Decoy,0 +CC(C)(C)C(=O)COC(=O)CSc1ccc(Br)c2cccc(Cl)c12,C03275972_decoy,CP3A4,Decoy,0 +Cc1nnc(SCc2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1,C02550092_decoy,CP3A4,Decoy,0 +COC(=O)N1CC[C@@H](Sc2ccccc2)[C@@]2(CCSc3ccccc3)CCC=C12,C01623117_decoy,CP3A4,Decoy,0 +Cc1cccc(Cc2c(C)nc(SCc3cccc(C(F)(F)F)c3)n(C)c2=O)c1,C04760575_decoy,CP3A4,Decoy,0 +CCOc1cc(C=O)cc(Br)c1OCc1c(Cl)cccc1Cl,C01144726_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1,C04007408_decoy,CP3A4,Decoy,0 +Fc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1C1CC1,C05333396_decoy,CP3A4,Decoy,0 +FC(F)(F)c1cnc(Sc2nccc(/C=C/c3cccs3)n2)c(Cl)c1,C05344547_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)C[C@@H](c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1,C01213939_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S,C02966124_decoy,CP3A4,Decoy,0 +O=C(c1oc2ccccc2c1CSCc1ccccc1)N1CCc2ccccc21,C03370872_decoy,CP3A4,Decoy,0 +Cc1ccc(CSCc2nnc(S)n2-c2cc(Cl)cc(Cl)c2)cc1,C06400739_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2ccccc12,C07777877_decoy,CP3A4,Decoy,0 +C[C@@H]1Cc2nc(SC/C=C/c3ccccc3)n(CCc3ccccc3)c(=O)c2S1,C08241884_decoy,CP3A4,Decoy,0 +CCc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCS2)cc1,C06870945_decoy,CP3A4,Decoy,0 +Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1,C02061904_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1ccccc1Sc1ccccc1)c1ccc(Br)cc1,C03127004_decoy,CP3A4,Decoy,0 +C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3,C09067896_decoy,CP3A4,Decoy,0 +CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1,C03768840_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nc3c(c2=O)SCC3)cc1,C02719785_decoy,CP3A4,Decoy,0 +CSCCn1/c(=N/C(=O)CCSc2ccc(F)cc2)sc2cc(F)ccc21,C09563500_decoy,CP3A4,Decoy,0 +CSCCn1/c(=N/C(=O)CCSc2ccc(C)cc2)sc2cc(F)ccc21,C09563504_decoy,CP3A4,Decoy,0 +CSCCn1/c(=N/C(=O)c2cccc(SC)c2)sc2cc(C)c(C)cc21,C09564678_decoy,CP3A4,Decoy,0 +Brc1ccccc1CSc1nnc(-c2ccccc2)n1-c1ccccc1,C09805772_decoy,CP3A4,Decoy,0 +CSc1ccc2nc(N(CCc3cccs3)C(=O)c3cccc(F)c3)sc2c1,C10097695_decoy,CP3A4,Decoy,0 +CC(=O)N(c1ccccc1)c1nc(CSc2c(C)c(C)cc(C)c2C)cs1,C10560385_decoy,CP3A4,Decoy,0 +CSCCn1/c(=N\C(=O)CSCc2ccccc2)sc2c(C)cc(C)cc21,C10611552_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O,C12343906_decoy,CP3A4,Decoy,0 +CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1,C16757931_decoy,CP3A4,Decoy,0 +C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,C16890012_decoy,CP3A4,Decoy,0 +Fc1ccc(CSCc2nnc(S)n2-c2cccc(Cl)c2Cl)c(Cl)c1,C17099204_decoy,CP3A4,Decoy,0 +FC(F)(F)c1cnc(-c2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1,C22996423_decoy,CP3A4,Decoy,0 +CCCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C27646672_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1C,C18117693_decoy,CP3A4,Decoy,0 +CC(=O)CCCSc1ccc2c3c4c(sc3nc(SC(C)C)n12)CCCC4,C34788156_decoy,CP3A4,Decoy,0 +CSCCn1/c(=N/C(=O)c2ccc(SC(C)C)cc2)sc2ccccc21,C39735587_decoy,CP3A4,Decoy,0 +CC(C)n1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1,C39762329_decoy,CP3A4,Decoy,0 +C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2,C40032134_decoy,CP3A4,Decoy,0 +CCCCCCc1ccc(C(=O)N2CCCn3cccc3[C@H]2c2ccsc2)cc1,C40361975_decoy,CP3A4,Decoy,0 +CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=C[C@@H]1C,C43763371_decoy,CP3A4,Decoy,0 +C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@H]43)[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1,C43769516_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CN(Cc2ccc(N3CCCC3=O)cc2)Cc2cc(C)ccc2C)c1,C12800163_decoy,CP3A4,Decoy,0 +Clc1ccccc1CSc1nnc(CCc2ccccc2)n1-c1ccccc1,C59047281_decoy,CP3A4,Decoy,0 +O=C(CCSC(=S)N1CCCCC1)N(C1CCCCC1)C1CCCCC1,C06644877_decoy,CP3A4,Decoy,0 +C#CCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1Br,C59160230_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)/N=[S@@](/C[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1,C04145225_decoy,CP3A4,Decoy,0 +C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,C03881613_decoy,CP3A4,Decoy,0 +CCc1cccc2c(/C=N\n3cnc4sc5c(c4c3=O)CCCC5)c[nH]c12,C00980689_decoy,CP3A4,Decoy,0 +O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C\c1ccccc1O,C00818016_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCN(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1,C01367987_decoy,CP3A4,Decoy,0 +O=C(Nc1nncs1)c1cc(-c2ccccc2Cl)nc2ccccc12,C00997402_decoy,CP3A4,Decoy,0 +Cc1cc(I)ccc1NC(=O)c1ccccc1[N+](=O)[O-],C01230749_decoy,CP3A4,Decoy,0 +Cc1c(NC(=O)c2cccc(I)c2)cccc1[N+](=O)[O-],C01218670_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(C(=O)[C@H](C)N2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1,C03377042_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC(C)(C)C,C05060302_decoy,CP3A4,Decoy,0 +Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)cc1,C05851654_decoy,CP3A4,Decoy,0 +N#Cc1ccccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1,C06476568_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1,C01187386_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c(C)c1,C06472572_decoy,CP3A4,Decoy,0 +Brc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1,C09002131_decoy,CP3A4,Decoy,0 +O=c1ccc2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ccc2o1,C12747106_decoy,CP3A4,Decoy,0 +N#Cc1ccccc1S(=O)(=O)Nc1c2c(nc3ccccc13)CCCC2,C12630263_decoy,CP3A4,Decoy,0 +Cn1c2ccccc2c2c(C(=O)NC3CC3)cn(C3CCCC3)c(=O)c21,C00428806_decoy,CP3A4,Decoy,0 +COc1ccc([C@@]2(C(F)(F)F)Cc3nc4ccccc4n3C(=O)N2)cc1,C05265520_decoy,CP3A4,Decoy,0 +O[C@]1(C(F)(F)F)[C@H]2CCCCCC2=NN1c1nc(-c2cccnc2)cs1,C04916300_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)c(C)c1,C16841898_decoy,CP3A4,Decoy,0 +O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,C17076678_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)cc1[N+](=O)[O-],C12781468_decoy,CP3A4,Decoy,0 +O=C(Nc1nc([C@H]2COc3ccccc3O2)cs1)c1ccc(Cl)cc1,C27240960_decoy,CP3A4,Decoy,0 +CCSc1ncc(Cl)c(C(=O)/[NH+]=c2\cccc3[n-]c(C)ccc2-3)n1,C27666261_decoy,CP3A4,Decoy,0 +CC1CCC2(CC1)OC[C@@H](C(=O)NC1CCCCC1)N2C(=O)C1CCCC1,C34920168_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@H]1N/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21,C20815798_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cn2)C[C@H](C)O1,C30017926_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2,C11363994_decoy,CP3A4,Decoy,0 +CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CNc1ccc3c(c1)oc1ccccc13)C2=O,C04600926_decoy,CP3A4,Decoy,0 +CSc1ncc(Cl)c(C(=O)Nc2ncc(Cl)cc2Cl)n1,C40803722_decoy,CP3A4,Decoy,0 +C[C@@H]1Oc2ccc(NC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2N(C)C1=O,C41014403_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)c(F)c1,C43579664_decoy,CP3A4,Decoy,0 +Cc1ccc2c(NC(=O)c3c(-c4ccccc4Cl)noc3C)cccc2n1,C44442310_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](/C=C/c1ccccc1)n1ncnc1N2,C05390574_decoy,CP3A4,Decoy,0 +Cc1ccccc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1,C17045512_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C=C1CCCCC1)CC3,C55992387_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(N2CCOC2=O)ccc1F)c1cc(Cl)sc1Cl,C56210212_decoy,CP3A4,Decoy,0 +C(=N/c1ccc(-c2nnc3n2CCCCC3)cc1)\c1c[nH]c2ccccc12,C03240068_decoy,CP3A4,Decoy,0 +C/C(=N/Nc1nc(C)nc2sc3c(c12)CCCC3)c1ccc(C#N)cc1,C57420075_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C1C2CC3CC(C2)CC1C3,C58148499_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1,C58429490_decoy,CP3A4,Decoy,0 +CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2ccco2)[nH]c1=O,C60163297_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(F)cc1Br,C60774738_decoy,CP3A4,Decoy,0 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+O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1,C31646930_decoy,CP3A4,Decoy,0 +Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3ccccc3F)CC1)O[C@@H](C)C(=O)N2,C32958900_decoy,CP3A4,Decoy,0 +Cc1nc(-c2nc(-c3c(C(=O)NNC(=O)c4ccc(Cl)cc4)noc3C)cs2)cs1,C03119956_decoy,CP3A4,Decoy,0 +CCn1c(SCC2=NC(=O)C3=C(C)[C@@H](C)SC3=N2)nc2cc(S(N)(=O)=O)ccc21,C38560187_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@H](C(=O)Nc3nn(C)c4c3[C@@H](c3ccccc3)CC(=O)N4)CC2=O)cc1C,C38905633_decoy,CP3A4,Decoy,0 +Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c2c1NC(=O)C[C@H]2c1cccs1,C38907067_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@@H](C(=O)Nc3nn(C)c4c3[C@H](c3cccs3)CC(=O)N4)CC2=O)cc1C,C38907083_decoy,CP3A4,Decoy,0 +CO[P@@]1(=O)NN2CCc3cc(S(=O)(=O)C(C)C)c(-c4ccccc4O)cc3[C@H]2CO1,C39464840_decoy,CP3A4,Decoy,0 +CC1=N[C@@H]2c3ccccc3NN2[C@@H](C)[C@H]1CCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1,C39469072_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccccc1)c1cc(O)ccc1N1CCN[C@@H](S(=O)(=O)c2ccccc2)C1,C39530498_decoy,CP3A4,Decoy,0 +CC(C)NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)c1cc(S(=O)(=O)NC(C)C)ccc1-2,C39931380_decoy,CP3A4,Decoy,0 +C[C@@H]1Oc2ccc(NC(=O)c3ccc(Br)c(S(=O)(=O)N(C)C)c3)cc2NC1=O,C39995722_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2,C40823054_decoy,CP3A4,Decoy,0 +CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@]21C,C43735492_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NCc1cccc(NS(C)(=O)=O)c1)N1C(=O)c2ccc(Br)cc2C1=O,C46759759_decoy,CP3A4,Decoy,0 +[H]/N=C1\S/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O,C15087852_decoy,CP3A4,Decoy,0 +[H]/N=c1/c(=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)c(=O)nc2s/c(=C\CC)[nH]n1-2,C01813390_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(Br)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C,C60352867_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c2c1,C60392436_decoy,CP3A4,Decoy,0 +Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CC4=c5ccccc5=[NH+]C4)C(=O)[O-])c(C)c3cc2c1C,C63326829_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)NC3=NC(=O)NC(=O)[C@H]32)c1OC,C63637731_decoy,CP3A4,Decoy,0 +[H]/N=C1\C2=C(C)N=NC2=N[C@H](SCC(=O)NC[C@@H]2CCCO2)N1c1cccc(Cl)c1C,C63731669_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C(=O)N1CCCC1)S2,C65021494_decoy,CP3A4,Decoy,0 +Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)n3c2)cc1,C65100390_decoy,CP3A4,Decoy,0 +O=C(CSc1ccccc1O)Nc1ccccc1NC(=O)CSc1ccccc1O,C01083718_decoy,CP3A4,Decoy,0 +NC(=O)c1c(NC(NC(=O)c2ccncc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2,C00721282_decoy,CP3A4,Decoy,0 +Nc1nc(F)c(Cl)c(Oc2ccccc2Oc2c(F)c(N)nc(F)c2Cl)c1F,C02202266_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccc(O)cc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl,C08386088_decoy,CP3A4,Decoy,0 +Nc1nc(SCc2ccc(Br)cc2)[nH]c(=O)c1NC(=O)c1ccccc1,C08910672_decoy,CP3A4,Decoy,0 +CCc1c(C)sc(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1C(N)=O,C10150062_decoy,CP3A4,Decoy,0 +NC(=O)c1c(NC(=S)NC(=O)COc2cccc3ccccc23)sc2c1CCCC2,C12499398_decoy,CP3A4,Decoy,0 +O=C(NNC(=S)NC(=O)c1ccccc1I)Nc1ccccc1,C12501514_decoy,CP3A4,Decoy,0 +O=C(NNC(=S)NC(=O)C1CCCCC1)c1ccc(NC(=O)C2CCCCC2)cc1,C12571949_decoy,CP3A4,Decoy,0 +O=C(NC(=S)N[C@H]1CCCC[C@@H]1NC(=S)NC(=O)c1cccs1)c1cccs1,C03253957_decoy,CP3A4,Decoy,0 +Cc1ccccc1C(=O)N[C@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl,C00808675_decoy,CP3A4,Decoy,0 +CCOc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)cc1,C13620855_decoy,CP3A4,Decoy,0 +O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13639538_decoy,CP3A4,Decoy,0 +O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13639572_decoy,CP3A4,Decoy,0 +O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13639982_decoy,CP3A4,Decoy,0 +CC(C)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1,C13983792_decoy,CP3A4,Decoy,0 +NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1,C14271089_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(N)=O,C14668349_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2Oc3c(OC)cc(/C=C/c4cc(O)cc(O)c4)cc3[C@H]2CO)ccc1O,C15262349_decoy,CP3A4,Decoy,0 +Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)c1C,C15817050_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl,C17101821_decoy,CP3A4,Decoy,0 +CC(C)Cn1c(SCc2nc(N)nc(N)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C17721101_decoy,CP3A4,Decoy,0 +O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1,C21209337_decoy,CP3A4,Decoy,0 +COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2,C22708083_decoy,CP3A4,Decoy,0 +N#CC1=C(SCC(N)=O)N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1,C23224680_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2,C32125164_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,C03142355_decoy,CP3A4,Decoy,0 +Cc1sc(NC(=O)CN(C(=O)Nc2ccccc2F)C2CCCC2)c(C(N)=O)c1C,C35292422_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F,C35570621_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H]2C[C@@H](C[C@H]1C(=O)N(C)[C@H](C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O)C2(C)C,C36525559_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1,C02889315_decoy,CP3A4,Decoy,0 +Cc1ccc(C(c2c(C)nn(-c3ccccc3)c2N)c2c(C)nn(-c3ccccc3)c2N)cc1,C08691193_decoy,CP3A4,Decoy,0 +NC(=O)c1c(/N=C/c2ccc(/C=N/c3sc4c(c3C(N)=O)CCCC4)cc2)sc2c1CCCC2,C20457377_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=C[C@@H]([C@H]3NN[C@H](SCc4c(Cl)cccc4Cl)N3N)N=N2)cc1,C38994593_decoy,CP3A4,Decoy,0 +NN1[C@@H]([C@@H]2C=C(c3ccc(F)cc3)N=N2)NN[C@H]1SCc1c(Cl)cccc1Cl,C38999759_decoy,CP3A4,Decoy,0 +NN1[C@@H](SCc2ccc(Br)cc2)NN[C@H]1[C@@H]1C=C(c2ccc(Cl)cc2)N=N1,C39016188_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)N[C@H]4NN[C@H](C(C)(C)C)S4)CC3=O)c2c1,C39147095_decoy,CP3A4,Decoy,0 +CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C36650222_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(N)=S)CC(C)(C)C2,C39856123_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(N)=S)CC(C)(C)C2,C39856177_decoy,CP3A4,Decoy,0 +Cc1cccc2sc(Nc3ncnc(Nc4ccc(Br)cn4)c3N)nc12,C40779767_decoy,CP3A4,Decoy,0 +Cc1ccc(Sc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1,C40783376_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1,C00985837_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(S)cc2)C1)Nc1ccc(S)cc1,C19075398_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C(N)=O)CCC4)o2)cc1Cl,C57316637_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O,C57531367_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1,C22882409_decoy,CP3A4,Decoy,0 +O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2,C60318887_decoy,CP3A4,Decoy,0 +[H]/N=C1\C(C(=O)Nc2ccc(Cl)cc2)=C(Nc2ccccc2)S[C@H]1C(=O)NCCc1ccccc1,C18229925_decoy,CP3A4,Decoy,0 +CC1=C([C@@H](c2cccc(O)c2)c2c(C)[nH]n(-c3ccc(C)cc3)c2=O)[C@@H](O)N(c2ccc(C)cc2)N1,C39322035_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[C@@]2(C)Cc3sc(-c4ccc(F)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840682_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1,C08880979_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)[C@@]1(C(=O)N2)[NH+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12,C09014262_decoy,CP3A4,Decoy,0 +CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[NH+]2[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@]12C(=O)Nc1ccccc12,C09242880_decoy,CP3A4,Decoy,0 +CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[NH+]2[C@@]2(C(=O)Nc3c(C)cc(C)cc32)[C@]12C(=O)Nc1ccccc12,C09266129_decoy,CP3A4,Decoy,0 +Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4C[C@@H](C)[NH2+][C@H](C)C4)cn3)ncc12,C13641646_decoy,CP3A4,Decoy,0 +CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(C)(C)C)C3)CC1,C15946694_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CC(=O)C3=C(C2)Nc2[nH+]c4ccccc4n2[C@@H]3c2c[nH]c3ccccc23)cc(OC)c1OC,C22844971_decoy,CP3A4,Decoy,0 +COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CC[NH2+]CC5)c4)sc23)c(Cl)cc1Cl,C28525509_decoy,CP3A4,Decoy,0 +Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2[nH+]c(N3CCN(c4cccc[nH+]4)CC3)cc(C(=O)[O-])c2c1,C32985260_decoy,CP3A4,Decoy,0 +CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(CCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@]2(C)O,C38194301_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CC(C)(C)[NH2+]C2(C)C,C38806400_decoy,CP3A4,Decoy,0 +CSC1=C[C@@H]2C[C@@H]3CO[P@](=O)(c4ccccc4O)N[NH+]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1,C39467292_decoy,CP3A4,Decoy,0 +CSC1=C[C@@H]2C[C@H]3CO[P@](=O)(c4ccccc4O)N[NH+]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1,C39467296_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C3(CC[NH2+]CC3)C2)[C@H](c2ccccc2)NO1,C39597928_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C3(CC[NH2+]CC3)C2)[C@H](c2ccccc2)NO1,C39597932_decoy,CP3A4,Decoy,0 +CCn1nc(C)c(Br)c1C(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(C)cc2)C2(CC[NH2+]CC2)C1,C39639379_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CN(C(=O)c4cccc(Cl)c4Cl)CC34CC[NH2+]CC4)c2c1,C39655979_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2)c1ccc(Br)cc1,C39657102_decoy,CP3A4,Decoy,0 +Cc1cc(=O)oc2c(OCC(=O)N3C[C@@H](C(=O)N[C@H](C#N)c4ccccc4)C4(CC[NH2+]CC4)C3)cccc12,C39662553_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1OCCc2ccccc21)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2F)CC12CC[NH2+]CC2,C39668962_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@@H](C(=O)NC[C@@H]3OCCc4ccccc43)C3(CC[NH2+]CC3)C2)ccc1Br,C39669043_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1OCCc2ccccc21)[C@@H]1CN(C(=O)c2cccnc2Oc2ccccc2)CC12CC[NH2+]CC2,C39669129_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2C[C@H](C(=O)NCC3(N4CCOCC4)CCCCC3)C3(CC[NH2+]CC3)C2)cc1,C39672821_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@H](C(=O)NCC3(N4CCOCC4)CCCCC3)C3(CC[NH2+]CC3)C2)n(C(C)(C)C)n1,C39672924_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CN(C(=O)c2cccc(Br)c2)CC12CC[NH2+]CC2,C39673276_decoy,CP3A4,Decoy,0 +Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,C39673955_decoy,CP3A4,Decoy,0 +CC1=C([C@@H](C)NC(=O)[C@H]2CN(C(=O)COc3cccc4c(C)cc(=O)oc34)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674498_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C39676393_decoy,CP3A4,Decoy,0 +Cc1cccc2c(CCNC(=O)[C@@H]3CN(C(=O)c4cccc(Cl)c4Cl)CC34CC[NH2+]CC4)c[nH]c12,C39684141_decoy,CP3A4,Decoy,0 +O=C(NC1CCN(c2ncccc2Cl)CC1)[C@H]1CN(C(=O)c2ccc3ccccc3n2)CC12CC[NH2+]CC2,C39687854_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(-n2cccc2)cc1)[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC12CC[NH2+]CC2,C39689956_decoy,CP3A4,Decoy,0 +O=C(NCc1cccc(-n2cccc2)c1)[C@H]1CN(C(=O)c2c(F)ccc(Cl)c2F)CC12CC[NH2+]CC2,C39694227_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(CNC(=O)[C@H]2CN(C(=O)COc3cccc4c(C)cc(=O)oc34)CC23CC[NH2+]CC3)c1,C39694879_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCC(C)CC1,C40364188_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(Oc2c(C[NH+]3CCC(OC(N)=O)CC3)c(C)[nH]c(=O)c2I)c1,C45253047_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)[NH+](C)C)ccc21,C49508599_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc4c5c(c3)CCC(=O)N5CCC4)[NH+]3CCCC3)ccc21,C49508650_decoy,CP3A4,Decoy,0 +CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc4c5c(c3)CCC(=O)N5CCC4)[NH+]3CCCCC3)ccc21,C49508788_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@H](C)NC(=O)[C@H]3CN(C(=O)c4ccc(Cl)cc4Cl)CC34CC[NH2+]CC4)[nH]c2c1,C44736963_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2[NH+]=N/C(=N/c3ccccc3)c3ccccc32)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1,C38926281_decoy,CP3A4,Decoy,0 +COc1cccc(NC(=O)c2cc3cc(C(C)(C)C)cc(O)c3o/c2=[NH+]\c2ccc(S(N)(=O)=O)cc2)c1,C59170508_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N/[NH+]=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2Cl)cc1,C59170574_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[NH+](C(C)C)C4)N2)cc(I)c1OC,C15947058_decoy,CP3A4,Decoy,0 +CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1,C63375683_decoy,CP3A4,Decoy,0 +CSCC[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1,C63384220_decoy,CP3A4,Decoy,0 +COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O,C63426744_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CS[C@H]2N=N[C@@H]([C@H](CC3=c4ccccc4=[NH+]C3)NC(=O)OC(C)(C)C)O2)c(C)c1,C63426770_decoy,CP3A4,Decoy,0 +C[C@@H]1Oc2cc(OC(=O)[C@H](N)CC3=c4ccccc4=[NH+]C3)ccc2C(=O)[C@@H]1c1ccc2c(c1)OCCCO2,C64428111_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCNC(=O)c1ccc(NC(=O)[C@H]3N=N[C@H](COc4ccccc4)S3)cc1)C[NH+]=2,C64502711_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c3c(cc(NCCC[NH+]4CCC5(CC4)OCCO5)c4c(=O)c5ccccc5c(=O)c43)oc2c1,C08744498_decoy,CP3A4,Decoy,0 +CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(C)c1,C08800273_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[NH+]3[C@@]3(C(=O)Nc4ccccc43)[C@]23C(=O)Nc2ccccc23)cc1,C09233744_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C12070743_decoy,CP3A4,Decoy,0 +O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3scnc3-c3ccccc3)CC2)cc1,C12243910_decoy,CP3A4,Decoy,0 +C[NH+](Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1)Cc1nnc(-c2ccccc2)o1,C12457033_decoy,CP3A4,Decoy,0 +Cc1c(Cl)ccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21,C12882786_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)NCCC[NH+]3CCCC[C@H]3C)cs2)C(C)C)cc1,C16460087_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C(=O)OC)cc3)[NH2+]2)c1O,C20764434_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2sc3[nH]c(C[NH+](C)Cc4c(F)cccc4Cl)nc(=O)c3c2C)c(C)c1,C21324475_decoy,CP3A4,Decoy,0 +CN(C)C1=[NH+]CCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,C28107974_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)CCc1c-2[nH+]c2sc(C(=O)OC(C)C)c(N)c2c1-c1ccc(OC)c(OC)c1,C35148135_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1,C35486681_decoy,CP3A4,Decoy,0 +CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[NH+]2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@]12C(=O)Nc1ccccc12,C35807161_decoy,CP3A4,Decoy,0 +Cc1ccccc1OC[C@H](O)C[NH+](Cc1ccccc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C36207607_decoy,CP3A4,Decoy,0 +C[C@@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1,C38793474_decoy,CP3A4,Decoy,0 +CN1C(=O)[C@H]2[C@@H]([NH+]=C(NCCc3c[nH]c4ccccc34)N2Cc2ccc(Br)cc2)N(C)C1=O,C39354627_decoy,CP3A4,Decoy,0 +N#C[C@@H]1C2=C(CCC2)S[C@@H]1NC(=O)CS[C@@H]1N=NC(N/N=C/c2cccc(Br)c2)=[NH+]1,C39403939_decoy,CP3A4,Decoy,0 +N#C[C@@H]1C2=C(CCC2)S[C@@H]1NC(=O)CS[C@H]1N=NC(N/N=C/c2cccc(Br)c2)=[NH+]1,C39403940_decoy,CP3A4,Decoy,0 +CSNC[C@@H](c1ccc(Cc2ccccc2)cc1)N1CC[NH2+][C@H](S(=O)(=O)Oc2ccccc2)C1,C39531437_decoy,CP3A4,Decoy,0 +Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C(=O)NCCCc4ccccc4)C4(CC[NH2+]CC4)C3)c(Cl)c12,C39623783_decoy,CP3A4,Decoy,0 +CCn1nc(C)c(Br)c1C(=O)N1C[C@@H](C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)C2(CC[NH2+]CC2)C1,C39637432_decoy,CP3A4,Decoy,0 +COc1ccc(Br)c(C(=O)N2C[C@@H](C(=O)NC[C@@H]3COC(C)(C)O3)C3(CC[NH2+]CC3)C2)c1,C39659487_decoy,CP3A4,Decoy,0 +CC1(C)OC[C@@H](CNC(=O)[C@@H]2CN(C(=O)c3cccnc3Sc3ccccc3)CC23CC[NH2+]CC3)O1,C39659550_decoy,CP3A4,Decoy,0 +Cc1ccsc1C(=O)N1C[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C2(CC[NH2+]CC2)C1,C39664482_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@@H](C(=O)NC[C@@H](C)Oc3ccccc3)C3(CC[NH2+]CC3)C2)ccc1Br,C39665198_decoy,CP3A4,Decoy,0 +COc1ccc(O[C@H](C)CNC(=O)[C@H]2CN(C(=O)c3c(F)ccc(Cl)c3F)CC23CC[NH2+]CC3)cc1,C39665883_decoy,CP3A4,Decoy,0 +Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2CN(C(=O)c3cc(C)oc3C(F)(F)F)CC23CC[NH2+]CC3)cc1,C39666213_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1OCCc2ccccc21)[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)CC12CC[NH2+]CC2,C39668880_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1OCCc2ccccc21)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,C39668944_decoy,CP3A4,Decoy,0 +Cc1ccc(Cl)c(C(=O)N2C[C@H](C(=O)NC[C@H]3OCCc4ccccc43)C3(CC[NH2+]CC3)C2)c1F,C39669048_decoy,CP3A4,Decoy,0 +O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,C39672784_decoy,CP3A4,Decoy,0 +COc1c(Cl)cc(C(=O)N2C[C@@H](C(=O)N[C@@H](C)C3=C(C)N=N[C@H]3C)C3(CC[NH2+]CC3)C2)cc1Cl,C39674507_decoy,CP3A4,Decoy,0 +COc1ccc(C(NC(=O)[C@@H]2CN(C(=O)c3cccc(C)c3)CC23CC[NH2+]CC3)c2ccc(OC)cc2)cc1,C39676547_decoy,CP3A4,Decoy,0 +Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@H](C(=O)N[C@H](C)c2ccncc2)C2(CC[NH2+]CC2)C1,C39680933_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@@H](C(=O)NCCOc3cccc(F)c3)C3(CC[NH2+]CC3)C2)ccc1Br,C39685382_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC23CC[NH2+]CC3)CC1,C39685986_decoy,CP3A4,Decoy,0 +COc1ccccc1C[C@H](C)NC(=O)[C@H]1CN(C(=O)c2c(F)ccc(Cl)c2F)CC12CC[NH2+]CC2,C39686780_decoy,CP3A4,Decoy,0 +CCCCCC[n+]1c(N)c(C(=O)Nc2cccc(Br)c2)cc2c(=O)n3cccc(C)c3nc21,C39993617_decoy,CP3A4,Decoy,0 +COc1ccccc1C[NH2+]Cc1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1,C40734481_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(N4CCCC4=O)c3)[NH+]3CCCCC3)ccc21,C49508678_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)CC1,C49509182_decoy,CP3A4,Decoy,0 +CCOc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12,C59170482_decoy,CP3A4,Decoy,0 +O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,C63234406_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1,C63376158_decoy,CP3A4,Decoy,0 +CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1,C63383721_decoy,CP3A4,Decoy,0 +CC(C)C[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1,C63383949_decoy,CP3A4,Decoy,0 +CCN1C(=O)[C@@H](NC(=O)C(=O)NCCC2=c3cc(OC)ccc3=[NH+]C2)c2cc(Br)ccc21,C63385887_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCNC(=O)C1=C(Cl)[C@H]3N=C(c4cccs4)C=C(C(F)(F)F)N3N1)C[NH+]=2,C63546986_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1O,C64746100_decoy,CP3A4,Decoy,0 +COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(F)c(F)c1F,C04156741_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C1,C03273377_decoy,CP3A4,Decoy,0 +COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12,C01899951_decoy,CP3A4,Decoy,0 +CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@H](C)c4ccccc4)c(=O)c3c2)cc1,C06181520_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Br)cc3)n2)cc1,C08935446_decoy,CP3A4,Decoy,0 +O=C(NCCc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1,C08970564_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)sc2c1CCCC2,C02706798_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1,C09390398_decoy,CP3A4,Decoy,0 +Nc1ccc(-c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2-c2ccccc2)cc1,C09290980_decoy,CP3A4,Decoy,0 +CCn1c2ccccc2c2cc(SC[C@H](NC(C)=O)C(=O)NCCc3c[nH]c4ccccc34)ccc21,C10003982_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1,C11713812_decoy,CP3A4,Decoy,0 +O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1I,C12501600_decoy,CP3A4,Decoy,0 +Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)c(Br)c1,C12574137_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1,C09580199_decoy,CP3A4,Decoy,0 +O=C(COc1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1I,C13976849_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1I,C13978644_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1,C13978652_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1,C13978775_decoy,CP3A4,Decoy,0 +O=C(NC(=S)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1I,C14003372_decoy,CP3A4,Decoy,0 +CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc(OC)c2O)N3)cc1,C14459727_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C,C14666935_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NCc2ccco2)cc1Br,C14770750_decoy,CP3A4,Decoy,0 +CCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br,C14776630_decoy,CP3A4,Decoy,0 +CC(C)COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)NC(C)(C)C)cc1,C14837002_decoy,CP3A4,Decoy,0 +CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCC(=O)Nc1ccc(Br)cc1C,C17958465_decoy,CP3A4,Decoy,0 +CCCCN(C(=O)CSc1ccc(Br)cc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O,C18183578_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc(Br)c1O,C03050748_decoy,CP3A4,Decoy,0 +O=C(NCc1ccco1)c1ccc(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1,C20115131_decoy,CP3A4,Decoy,0 +CC(C)COc1ccc(Br)cc1C(=O)NC(=S)N(CCC(N)=O)Cc1ccccc1,C20120250_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)sc2c1CCC2,C20418918_decoy,CP3A4,Decoy,0 +O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1Cl)N2,C20767729_decoy,CP3A4,Decoy,0 +CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1,C21000824_decoy,CP3A4,Decoy,0 +O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1nc2ccc(Br)cc2s1,C21077228_decoy,CP3A4,Decoy,0 +O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1,C22616720_decoy,CP3A4,Decoy,0 +CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(SCC(N)=O)s3)c2C#N)C1,C24660103_decoy,CP3A4,Decoy,0 +COc1cc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1O,C12586358_decoy,CP3A4,Decoy,0 +CCOCCCNC(=O)c1cc(NC(=O)Nc2ccccc2F)ccc1N1CCc2ccccc2C1,C33771815_decoy,CP3A4,Decoy,0 +COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl,C03142345_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1,C12549700_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)NC(C)(C)C)[C@@H](c2ccc(Cl)cc2)N2C(/C=C(\[O-])NCC[NH+](C)C)=CSC2=N1,C35709916_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@@H](C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C(=O)c1cccc(O)c1O,C36500730_decoy,CP3A4,Decoy,0 +CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2ccccc2OC)C(Cl)(Cl)Cl)cc1,C08687472_decoy,CP3A4,Decoy,0 +CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)c1,C20119664_decoy,CP3A4,Decoy,0 +CSCC[C@@H](NC(=O)[C@@H]1CC=CO1)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12,C38748477_decoy,CP3A4,Decoy,0 +CCCn1c(SCC(=O)Nc2sc(C)c(CC)c2C(N)=O)nnc1-c1csc(C(C)C)c1,C39968306_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@H]1CCc2c(sc(NC[C@H](O)COc3ccccc3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C40312462_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)c1c[nH]c(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1)c1ncc(C(F)(F)F)cc1Cl,C03105479_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1,C16545494_decoy,CP3A4,Decoy,0 +C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1,C59015806_decoy,CP3A4,Decoy,0 +Cc1ccc(OCC(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1,C59364297_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O,C00796458_decoy,CP3A4,Decoy,0 +Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(I)cc1C)C(=O)N2,C01144159_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3Cl)sc(C(=O)c3ccccc3)c2N)cc1,C08756814_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)c2sc(Nc3cc(F)ccc3F)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc1,C08756950_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1,C08901371_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O,C00718070_decoy,CP3A4,Decoy,0 +Cc1ccc(NCC(=O)N/N=C/c2cc(I)cc(C)c2O)cc1,C09934815_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1O,C09971502_decoy,CP3A4,Decoy,0 +COc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O,C10058974_decoy,CP3A4,Decoy,0 +C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3Cl)c3ccc(O)c(O)c3O2)N1,C12705529_decoy,CP3A4,Decoy,0 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+CCCCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21,C20696386_decoy,CP3A4,Decoy,0 +CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2,C20696470_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2,C20701915_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)cc1,C20881584_decoy,CP3A4,Decoy,0 +O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1O)Nc1ccccc1N2,C20884588_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)ccc1O,C21227729_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1,C21230306_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)ccc1O,C21249386_decoy,CP3A4,Decoy,0 +Nc1nc(SCC(=O)Nc2ccccc2I)nc2sc3c(c12)CCCC3,C23590579_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)CSc2nc(N)c3c4c(sc3n2)CCCC4)c(Cl)c1,C23590601_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@@H]1CCc2c(sc3nc(CNCCc4ccc(O)cc4)[nH]c(=O)c23)C1,C26417357_decoy,CP3A4,Decoy,0 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+C=CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,C08775663_decoy,CP3A4,Decoy,0 +CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c1C,C08775978_decoy,CP3A4,Decoy,0 +CCn1c(SCC(=O)N/N=C/c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1,C01239443_decoy,CP3A4,Decoy,0 +CSc1nc(C)cc(Nc2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)n1,C09004176_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1,C09339493_decoy,CP3A4,Decoy,0 +COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1,C09403641_decoy,CP3A4,Decoy,0 +C=CCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)Nc3nnc(CCC)s3)nc21,C03647973_decoy,CP3A4,Decoy,0 +O=C(CCCSc1ccc(Cl)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1,C09910587_decoy,CP3A4,Decoy,0 +CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2c(NC(=O)Cc3ccc(F)cc3)scc12,C10383320_decoy,CP3A4,Decoy,0 +COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1,C10586924_decoy,CP3A4,Decoy,0 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+CCCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nc2s1,C15771868_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CC(=O)OC)C2=S)cc1,C33689481_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nnc2SCc2ccccc2)cc1,C35077719_decoy,CP3A4,Decoy,0 +Cc1cccc(CSc2nnc(CNC(=O)CC(C)(C)C)n2-c2ccc([N+](=O)[O-])cc2)c1,C35199953_decoy,CP3A4,Decoy,0 +COc1ccccc1Oc1c(CN(Cc2ccco2)C(=O)NC(C)(C)C)c(C)nn1-c1ccccc1,C35978398_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3OC)nnc2-c2ccccc2OC)cc1,C36801436_decoy,CP3A4,Decoy,0 +CCOC(=O)N1CCc2c(sc(NC(=O)COc3ccc(C(C)C)cc3)c2C(=O)OC)C1,C38805123_decoy,CP3A4,Decoy,0 +Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F,C39514409_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/NC(=O)[C@@H]2C=C(c3ccccc3OCc3ccccc3)N=N2)cc1OC,C39581548_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(-c2nnco2)cc1,C36686611_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(Oc2nc3ccc(C)cn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1,C39998973_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F,C45266786_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1,C46879783_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=O)[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1,C49272549_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C01375576_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)OCCSc2ccc(NC(C)=O)c(Cl)c2Cl)cc1[N+](=O)[O-],C57317421_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](C)NC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1OC,C67261022_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC[NH+]2CCCC2)C3)c(C)c1,C04143527_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC[NH+]2CCCC2)C3)c(C)c1,C04143545_decoy,CP3A4,Decoy,0 +COc1ccc(-c2c(C)c3ccc(O)c(C[NH+](C)C)c3oc2=O)cc1OC,C04353829_decoy,CP3A4,Decoy,0 +CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC[NH+]1CCCCC1)C2=O,C05100596_decoy,CP3A4,Decoy,0 +COc1ccc(-c2coc3c(C[NH+]4CCCC4)c(=O)ccc-3c2O)cc1OC,C06232886_decoy,CP3A4,Decoy,0 +Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCC[NH+](C)C)c(C)c3cc12,C06623687_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1nn(-c2ccccc2)c2c1CCC2,C12928261_decoy,CP3A4,Decoy,0 +Cc1n[nH]c(Sc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c23)CCC4)n1,C14084160_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccn2-c2ncccn2)c1,C15064004_decoy,CP3A4,Decoy,0 +CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@H](C[NH+](C)C)C3)cc2N1,C19451152_decoy,CP3A4,Decoy,0 +COC(=O)C[C@]1(C)[NH2+][C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21,C19960860_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1sccc1C#N)[NH+]1CCC(c2nc3ccccc3o2)CC1,C24985770_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[NH+]1CCCN1CC2=C(C1=O)[C@H](c1cccs1)NC(=O)N2C,C35474831_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)c3ccno3)[NH+]3CCCCC3)ccc21,C38670725_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1,C38732907_decoy,CP3A4,Decoy,0 +C[C@H]1C[NH+](CC(=O)NC[C@@H]2C=NN=C2c2ccccc2)Cc2ccccc2O1,C39398931_decoy,CP3A4,Decoy,0 +CC(=O)C1=C(C)[C@H]([C@H]2NC([C@]3(c4ccc(F)cc4)CCOC3)=NO2)C(C)=[NH+]1,C39437172_decoy,CP3A4,Decoy,0 +Oc1cc(-c2cccnc2)cc2c1OCC[NH+](C[C@H]1C=NN=C1c1ccccc1)C2,C39533003_decoy,CP3A4,Decoy,0 +O=C(COC(=O)C1=c2ccccc2=[NH+]C(=O)C1)Nc1c(Cl)cccc1Cl,C39612877_decoy,CP3A4,Decoy,0 +Cc1ccc(CNC(=O)CSC2=N[C@@H]3[NH+]=c4ccc(C)cc4=C3N=N2)cc1,C39981077_decoy,CP3A4,Decoy,0 +CCCNC(=O)CSC1=N[C@@H]2[NH+]=c3ccc(Br)cc3=C2N=N1,C39981181_decoy,CP3A4,Decoy,0 +CC(C)n1c(NCCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CCCC3,C41531478_decoy,CP3A4,Decoy,0 +COC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1,C42567850_decoy,CP3A4,Decoy,0 +Cc1csc(N2CCN(C(=O)NCCC[NH+]3C[C@H](C)C[C@H](C)C3)CC2)n1,C46426814_decoy,CP3A4,Decoy,0 +CCc1ccc2c(C[NH+]3CCC[C@H](C(=O)Nc4nccs4)C3)cc(=O)oc2c1,C47263503_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nc(C[NH+]3CCC[C@H](C(=O)Nc4nccs4)C3)cs2)o1,C47263870_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@H]2CCC[NH+]2Cc2cc(=O)oc3cc(C)ccc23)cc1,C48363594_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(CO)CC3)[C@@H](c3ccco3)C2)cc1,C52807732_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[NH+](Cc2csc(NC(=O)Cc3noc4ccccc34)n2)C1,C54277569_decoy,CP3A4,Decoy,0 +COc1ccc(C2=Nc3[nH+]c(CCCO)nn3[C@H](c3cccs3)C2)cc1,C06457675_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN([C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1,C22037551_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2,C15674370_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)c1,C58298872_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)[C@H](C)Sc2nncs2)ccc1N1CC[NH+](C)CC1,C58305376_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2nc(C)c(C(=O)NC[C@@H](C)[NH+]3CCC[C@H](C)C3)n2)c(C)c1,C58955020_decoy,CP3A4,Decoy,0 +Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C2=c3ccccc3=[NH+]C2)CC1,C63151133_decoy,CP3A4,Decoy,0 +Fc1ccc(OCc2nnc3n2N[C@@H]([C@@H]2C=c4ccccc4=[NH+]2)S3)cc1,C63280041_decoy,CP3A4,Decoy,0 +N#Cc1ccccc1OCC(=O)Nc1nc(C2=c3ccccc3=[NH+]C2)cs1,C63800216_decoy,CP3A4,Decoy,0 +O=C(CC1=c2ccccc2=[NH+]C1)N1CCN(C(=O)NCc2ccccc2F)CC1,C63963782_decoy,CP3A4,Decoy,0 +CC1=c2cc(C)ccc2=[NH+][C@@H]1[C@@H]1NC(CCN(C)C(=O)c2ccc(F)cc2)=NO1,C64678702_decoy,CP3A4,Decoy,0 +CC1=c2cc(C)ccc2=[NH+][C@H]1[C@@H]1NC(CCN(C)C(=O)c2cccc(F)c2)=NO1,C64678744_decoy,CP3A4,Decoy,0 +O=C(CC1CCN(C(=O)[C@@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1)NCc1ccco1,C64743963_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCCN(c3nccs3)CC2)C1,C64756628_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1C(=O)[NH+]=c2c(Cl)cccc2=C1NCc1ccc(OC)cc1,C64887805_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC2)cc1,C65029577_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nc(N3CCC(C)CC3)ncc2C1,C65289503_decoy,CP3A4,Decoy,0 +O=C(NC1CC[NH+](CN2C(=O)CC3(CCCCC3)C2=O)CC1)C1CCCCC1,C65943835_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](C)NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1,C66174214_decoy,CP3A4,Decoy,0 +Cc1csc2[nH+]c(CNc3ccc(-n4cccn4)c(Cl)c3)cc(=O)n12,C66825697_decoy,CP3A4,Decoy,0 +Cc1cc(F)cc2c1N(C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)CCC2,C66982345_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCN(c4cccc(C)c4C)CC3)cc2c1,C06135319_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc23)cc1S(=O)(=O)N1CC[NH+](C)CC1,C08584736_decoy,CP3A4,Decoy,0 +CSc1nc(NCC[NH+]2CCOCC2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CC(C)(C)OC4,C02388580_decoy,CP3A4,Decoy,0 +CC1(C)C[C@@H]2C[C@@](C)(C[NH+]2CN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)C1,C08770339_decoy,CP3A4,Decoy,0 +Cc1cccc(C[NH+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c1,C12053609_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1,C06300992_decoy,CP3A4,Decoy,0 +Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1,C13016779_decoy,CP3A4,Decoy,0 +Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c12,C06443575_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnc(Nc3ccc4ccccc4c3)c3ccccc23)cc1S(=O)(=O)N1CC[NH+](C)CC1,C09427623_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N2CC[NH+]([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1,C06195668_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)C[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)C1,C21780858_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Cl)cc1Cl)N(CCC/[NH+]=c1\cc(O)oc2ccccc12)Cc1ccccc1,C22473195_decoy,CP3A4,Decoy,0 +CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(C[NH+]4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1,C02407243_decoy,CP3A4,Decoy,0 +C[C@H](Nc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(N4CC[NH+](C)CC4)ccc32)n1)c1ccccc1,C27180668_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)CC1,C30827664_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC,C34683915_decoy,CP3A4,Decoy,0 +C=C(C)CSc1nc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c2c3c(sc2n1)CCCC3,C34756098_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(c2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)CC1)NC1CCCCC1,C34756259_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(c2nc(-c3ccccc3)nc3sc4c(c23)CCC4)CC1)Nc1cccc2ccccc12,C34756938_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(c2nc(SCc3ccccc3)nc3sc4c(c23)CCC4)CC1)NC1CCCCC1,C34757407_decoy,CP3A4,Decoy,0 +CCc1c(C)sc2nc(SCc3ccccc3)nc(N3CC[NH+](CC(=O)Nc4ccccc4C)CC3)c12,C34761643_decoy,CP3A4,Decoy,0 +C[C@H](c1nc2ccccc2c(=O)n1-c1ccccc1)N(CC[NH+](C)C)C(=O)C(c1ccccc1)c1ccccc1,C35036945_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c([C@H](C)N(CC[NH+](C)C)C(=O)NC34CC5CC(CC(C5)C3)C4)nc3ccccc3c2=O)c1,C35065909_decoy,CP3A4,Decoy,0 +CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC[NH+](C)C)C(=O)CC(C)C,C35069382_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c([C@H](C)N(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1C,C35069936_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1,C35486997_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1nc2ccc(C)cc2s1,C36637723_decoy,CP3A4,Decoy,0 +C[C@@H](c1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1-c1ccc(F)cc1)[NH+]1CCCCC1,C24922881_decoy,CP3A4,Decoy,0 +CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCC[NH+]1CCCC1,C34686442_decoy,CP3A4,Decoy,0 +Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH+]1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,C01493033_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1C1=NN(C(=O)Cc2ccccc2)[C@@H](c2ccccc2)C1,C38592125_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@@H]1C1=NN(C(=O)Cc2ccccc2)[C@H](c2ccccc2)C1,C38592126_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1[NH+]=c2ccc(Cl)cc2=C1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,C38599455_decoy,CP3A4,Decoy,0 +O=C(NCCSC1CCCCC1)[C@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1,C38904498_decoy,CP3A4,Decoy,0 +O=C(NCCSC1CCCCC1)[C@@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1,C38904499_decoy,CP3A4,Decoy,0 +O=C(NCCCSc1ccccc1)[C@@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1,C38904831_decoy,CP3A4,Decoy,0 +Cc1ccc(SCc2cc(=O)[nH]c(S[C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)n2)cc1,C39237547_decoy,CP3A4,Decoy,0 +CCN1/C(=C\C=C2/CCCC(/C=C/c3sc4cc(OC)ccc4[n+]3CC)=C2C)Sc2cc(OC)ccc21,C39440301_decoy,CP3A4,Decoy,0 +CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc(-c4ccccc4)nc4ccccc34)sc2c1,C36643262_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCN(C(=O)c1ccc(Cc2ccccc2)cc1)c1nc2ccc(Br)cc2s1,C36643345_decoy,CP3A4,Decoy,0 +CNC(=S)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1,C39988965_decoy,CP3A4,Decoy,0 +CNC(=S)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@H]1c1ccc(Cl)cc1,C39988969_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1,C40008941_decoy,CP3A4,Decoy,0 +CSc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2c1,C38846141_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(c2c(Cl)cccc2NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1,C59212159_decoy,CP3A4,Decoy,0 +Cc1cc(N[P@]2(=S)C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)n(-c2ccccc2)[nH+]1,C15906055_decoy,CP3A4,Decoy,0 +CC1(C)C[C@@H]2C[C@@](C)(C[NH+]2CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4o3)c3ccccc32)C1,C20568372_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(c4ccc(C(=O)NCCC(C)C)cc4)C(=O)N23)cc1,C63375606_decoy,CP3A4,Decoy,0 +Cc1ccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC4=c5ccccc5=[NH+]C4)C(=O)N23)cc1,C63707961_decoy,CP3A4,Decoy,0 +Cc1ccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC4=c5ccccc5=[NH+]C4)C(=O)N23)cc1,C63707962_decoy,CP3A4,Decoy,0 +Cc1ccc(Nc2nc(N)nc(CSC(=S)N3CC[NH+](C)CC3)n2)c(C)c1,C02438243_decoy,CP3A4,Decoy,0 +Cc1[nH]c2ccccc2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O,C04342538_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](C(=O)Nc2ccccc2Cl)[NH+]=C(Nc2nc3ccccc3s2)N1,C04725072_decoy,CP3A4,Decoy,0 +CC(C)c1nc2sc3c(NCCCC[NH3+])ncnc3c2c2c1COC(C)(C)C2,C02409685_decoy,CP3A4,Decoy,0 +Cc1cc2c(cc1Cl)SC(NNC(=[NH2+])c1ccc(Cl)cc1)=NS2(=O)=O,C01645195_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)c1sc2nc3c(cc2c1N)C[NH+](C)CC3)C12CC3CC(CC(C3)C1)C2,C08748349_decoy,CP3A4,Decoy,0 +O=c1c([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)c(O)n(-c2ccccc2)c(=O)n1-c1ccccc1,C02131101_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)C[NH+](C)CC3,C08837627_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1CN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC[NH2+]1,C11174118_decoy,CP3A4,Decoy,0 +Cc1ccc2c([C@@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3ccccc3O4)c(C)[nH]c2c1,C12293253_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3c(C)[nH]c4cc(C)ccc34)CC1)O2,C12329172_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3c(C)[nH]c4cc(C)ccc34)CC1)O2,C12329182_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(c(N3CCCC3)[nH+]c3sc(C(=O)Nc4ccccc4Cl)c(N)c23)CO1,C13554360_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O,C08994418_decoy,CP3A4,Decoy,0 +Cc1ccc2c([C@@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3cc(C)c(C)cc3O4)c(C)[nH]c2c1,C19219594_decoy,CP3A4,Decoy,0 +O=C(C[C@@H]1C(=O)NCC[NH+]1CC1CCCCC1)NCc1cc2cc(F)ccc2[nH]1,C20601007_decoy,CP3A4,Decoy,0 +Nc1c(C(=O)NCc2ccccc2)sc2[nH+]c(N3CCCC3)c3c(c12)CCCC3,C21790680_decoy,CP3A4,Decoy,0 +CO[C@@]12CC[C@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[NH2+]1)[C@H]2O5,C22065365_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1Cc2ccccc2C[NH+]1CC(=O)NCC1(c2ccccc2)CCCC1,C27217239_decoy,CP3A4,Decoy,0 +CC(C)([NH3+])c1cn(C[C@@H]2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1,C23466155_decoy,CP3A4,Decoy,0 +CC(C)([NH3+])c1cn(C[C@H]2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1,C23466156_decoy,CP3A4,Decoy,0 +C=CCNC(=O)C1CCN(c2[nH+]cccc2NC(=O)Nc2ccccc2C)CC1,C33302961_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2O)N3)C1,C22635998_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1,C36628550_decoy,CP3A4,Decoy,0 +C[NH+](C)CCNc1nc(-c2ccccc2F)c2c(N)n(-c3cccc(F)c3)nc2n1,C37359390_decoy,CP3A4,Decoy,0 +COC(=O)c1cc(Br)cc(Br)c1NC(=O)C[C@@H](C)[NH3+],C37769929_decoy,CP3A4,Decoy,0 +Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314,C03802871_decoy,CP3A4,Decoy,0 +O=C(N/N=C/C1=c2ccccc2=[NH+]C1)[C@H]1C=C(c2cc(Cl)cc(Cl)c2)NN1,C39007155_decoy,CP3A4,Decoy,0 +[NH3+][C@H]1C([C@@H]2N=NC(=S)N2c2ccc(Cl)cc2Cl)=CNN1c1ccccc1,C39336623_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(O)C(Cc4ccccc4)=C[C@H]3C[C@H]2CO1,C39467065_decoy,CP3A4,Decoy,0 +CSC1=C[C@@H]2C[NH+]3N[P@@](=O)(c4ccccc4O)OC[C@@H]3C[C@@H]2C=C1c1ccccc1O,C39467103_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(F)C(c4ccccc4O)=C[C@@H]3C[C@H]2CO1,C39467115_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(Cl)C(c4ccccc4O)=C[C@@H]3C[C@@H]2CO1,C39467117_decoy,CP3A4,Decoy,0 +Nc1c(Br)cc(C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)cc1Br,C39933279_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)c1c[nH+]c2ccccc2c1N)C(=O)Nc1cccc(Cl)c1Cl,C40105446_decoy,CP3A4,Decoy,0 +Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)nc[nH+]c1N1CCc2ccccc21,C40687472_decoy,CP3A4,Decoy,0 +C[C@@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cccc2ccccc12,C45356110_decoy,CP3A4,Decoy,0 +NC(=O)c1c(NC(=O)C[NH+](C2CC2)[C@@H]2CCc3ccccc32)sc2c1CCCC2,C48260374_decoy,CP3A4,Decoy,0 +C=CCSC1=[NH+]C(C)(C)C[C@]2(C[C@H](c3cccs3)c3ccc(O)c(O)c3O2)N1,C04686002_decoy,CP3A4,Decoy,0 +CC(C)[C@H](C(=O)N[C@H](C)CC1=c2ccccc2=[NH+]C1)N1NNc2ccccc2C1=O,C63279753_decoy,CP3A4,Decoy,0 +CCCCCCN1C(=S)NC(=O)[C@@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H]1O,C63376007_decoy,CP3A4,Decoy,0 +C=C(C)CNC(=S)NNC1=NC(=O)[C@H]2C(=[NH+]1)c1ccccc1CC21CCCCC1,C63393961_decoy,CP3A4,Decoy,0 +C[C@H]1CC(=O)N2[C@H](NC(NCCC3=c4ccccc4=[NH+]C3)=N[C@H]2c2ccccc2)N1,C63633459_decoy,CP3A4,Decoy,0 +N/C(=N\S(=O)(=O)c1ccc2ccccc2c1)NCCC1=c2ccccc2=[NH+]C1,C63676488_decoy,CP3A4,Decoy,0 +NC(=O)c1ccc(NC(=O)CC[NH+]2CC=C(c3cccc4ccccc34)CC2)cc1,C63762545_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)C(=O)Nc1cccc2c(O)cccc12,C63786250_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N[C@H]1Nc2cc(NC(=O)[C@H]3C=c4cc(Cl)ccc4=[NH+]3)ccc2S1,C64502424_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)cc1F,C66981892_decoy,CP3A4,Decoy,0 +CCCNC(=O)[C@@H](C)[NH+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1,C67401519_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1)c1ccc2c(c1)CC(=O)N2,C67460863_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4F)n(C)c3nc12,C02917372_decoy,CP3A4,Decoy,0 +CCSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccccc1-2,C00086168_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c(C)c1,C00477224_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccco2)C3)cc1,C04875778_decoy,CP3A4,Decoy,0 +O=C1NC(=S)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1,C01452085_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N(C)c1ccccc1)N1C(=O)NC2(CCCCC2)C1=O,C03327784_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)Nc2nc3c(s2)CCC3)c2ccccc2c1=O,C08326535_decoy,CP3A4,Decoy,0 +O=c1[nH]c(SCc2cc(=O)n3ccsc3n2)nc2sccc12,C08456670_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)cc(C)c1nn(CC(=O)NC(C)(C)C)c(=O)n12,C12181995_decoy,CP3A4,Decoy,0 +Cc1c(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)on2)cnn1C,C13641695_decoy,CP3A4,Decoy,0 +O=c1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)s2)n[nH]1,C15726530_decoy,CP3A4,Decoy,0 +O=C1NC(=S)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1,C16713007_decoy,CP3A4,Decoy,0 +[H]/N=C1/O[C@]23CCCC[C@@H]2[C@@]1(C#N)C(C#N)(C#N)[C@@H](c1ccccc1)O3,C13119926_decoy,CP3A4,Decoy,0 +Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(C)s2)n1,C21177030_decoy,CP3A4,Decoy,0 +CCc1nnc(NC(=O)c2cc3c(nc4sccn43)s2)s1,C21289335_decoy,CP3A4,Decoy,0 +Cc1cnc(N2CC[C@@]3(O)CCCC[C@H]3C2)nc1-c1ccnn1C,C23505879_decoy,CP3A4,Decoy,0 +Cc1nc(C2(NC(=O)C3=Cc4ccccc4OC3)CCCCC2)no1,C23508324_decoy,CP3A4,Decoy,0 +Cc1nnsc1C(=O)N1CCc2[nH]nc(CC3CCCCC3)c2C1,C23465890_decoy,CP3A4,Decoy,0 +Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C,C00814681_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(C)c1,C02917172_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c3c(=O)n(CC(=O)N4C[C@@H](C)C[C@H](C)C4)ncc3c2c1,C15942883_decoy,CP3A4,Decoy,0 +C[C@H]1CCCc2sc3nc(NCc4ccco4)n4ncnc4c3c21,C04295470_decoy,CP3A4,Decoy,0 +[H]/N=C1/O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@]1(C#N)[C@@H](Cc1ccccc1)O3,C04198934_decoy,CP3A4,Decoy,0 +Cc1nc2ccc3nc(NC(=O)c4c(C)cnn4C)sc3c2s1,C38506316_decoy,CP3A4,Decoy,0 +CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)Cn1nnc3ccccc3c1=O)C2,C36007718_decoy,CP3A4,Decoy,0 +CCO/C1=N/c2c(Cl)ncnc2N(C)c2c(O)cc(F)cc2C1,C39479967_decoy,CP3A4,Decoy,0 +CC1(C)[C@@H]2CC[C@@]1(C(=O)NC1CCCCC1)c1nc(C#N)c(C#N)nc12,C39855229_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1-n1cnnn1)c1ccc(Br)s1,C40218593_decoy,CP3A4,Decoy,0 +Cc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccccc1,C40387977_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)Nc2ccccc2N2CCc3ccccc32)ccc1=O,C40512019_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(-n2cccn2)cc1)c1nn2ccccc2c1Cl,C40786034_decoy,CP3A4,Decoy,0 +Cc1nc2sc([C@H](c3ccco3)[NH+]3CCCCCC3)c([O-])n2n1,C41637074_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c(SCc3cc(=O)n4nc(C)sc4n3)nc2c1,C44029564_decoy,CP3A4,Decoy,0 +C[C@H]1CN(C(=O)NCCc2cc(F)cc3c2OCOC3)C[C@H](C)O1,C47070453_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(-n2nccn2)cc1)N1CCC[C@@H]1c1ccsc1,C48329301_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1,C04520099_decoy,CP3A4,Decoy,0 +O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1-c1ccccc1,C20716138_decoy,CP3A4,Decoy,0 +Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc3ccccc3c(C)c2C1,C53999076_decoy,CP3A4,Decoy,0 +Cc1cc2oc(=O)cc(C)c2cc1NC(=O)C1=CC(=O)CC(C)(C)O1,C55211875_decoy,CP3A4,Decoy,0 +O=C1CCCC2=C1[C@@H](c1cccnc1)n1nc(-c3ccccc3)nc1N2,C00066967_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)CN1C=Nc2ccccc2S1(=O)=O,C60058974_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc2nsnc12)[C@H]1C=C(c2cccs2)N=N1,C63600877_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1N1CCNC1=O,C64320959_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1,C64477654_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N3CCCC3)cc1C(=O)N2,C64604769_decoy,CP3A4,Decoy,0 +CC(C)(C)C1=C[C@H]([C@H]2CC(=O)NC[C@H]3N=C4C=CC=CN4[C@H]23)N=N1,C65498138_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@]12CN(c3ccc(Cl)nn3)C[C@@H]1C[NH+](C1CCCC1)C2,C65530280_decoy,CP3A4,Decoy,0 +O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3,C65814467_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1cnccc1N[C@H]1CCOc2ccc(Br)cc21,C66810349_decoy,CP3A4,Decoy,0 +CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc([N+](=O)[O-])c1,C67454546_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)[O-],C02860941_decoy,CP3A4,Decoy,0 +O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)c1,C05446526_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCCC(=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1,C06032924_decoy,CP3A4,Decoy,0 +COc1cc(Br)cc(/C=C(\C#N)c2ccc(C(=O)[O-])cc2)c1OC,C02884133_decoy,CP3A4,Decoy,0 +O=C([O-])[C@H]1Oc2ccccc2O[C@@H]1c1ccc(Oc2ccccc2Cl)cc1,C11803132_decoy,CP3A4,Decoy,0 +CCCOc1c(OC)cc(Br)cc1-c1nc(C)c(C(=O)[O-])s1,C11892822_decoy,CP3A4,Decoy,0 +CCn1c(SCc2cccc(C(=O)[O-])c2)nc2sc(C)c(C)c2c1=O,C13061483_decoy,CP3A4,Decoy,0 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+CCC[NH+](CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S,C12547069_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(CN(C)c2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CCC4)cc1,C03400936_decoy,CP3A4,Decoy,0 +O=C(C[NH+](Cc1ccco1)Cc1ccco1)N1N=C(c2cccs2)C[C@H]1c1cccs1,C16418466_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2CCC[NH+](C)C)CCCC4)s1,C23297165_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@H](C)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)c1ccccc1,C23483390_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@H](C)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)c1ccccc1,C23483394_decoy,CP3A4,Decoy,0 +C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1,C32622864_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c([C@H](C)N(CC[NH+](C)C)C(=O)CC(C)(C)C)nc3ccccc3c2=O)c1,C35065873_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c([C@H](C)N(CC[NH+](C)C)C(=O)CC(C)C)nc3ccccc3c2=O)cc1C,C35069190_decoy,CP3A4,Decoy,0 +CCc1ccc(-n2c([C@@H](C)N(CC[NH+](C)C)C(=O)C(C)C)nc3ccccc3c2=O)cc1,C35091458_decoy,CP3A4,Decoy,0 +CCc1ccc(-n2c([C@@H](CC)N(CC[NH+](C)C)C(=O)CC(C)C)nc3ccccc3c2=O)cc1,C35093791_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](Cc3ccc(C)cc3)C(C)C)o2)C1,C35226373_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccnc1,C35483479_decoy,CP3A4,Decoy,0 +CC(C)C[NH+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1,C35843628_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1ccccc1,C36124491_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)c1cc(C)n(C(C)C)n1)c1nc2c(C)c(Cl)ccc2s1,C38508957_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccc(OC(C)C)c1,C38715504_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1,C38715526_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](CC)CC)[C@@H]3c1ccccc1,C38727015_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cc(F)cc3s2)cc1OCC,C36641484_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)CCCSc1ccc(OC)cc1)c1nc2cc(C)c(C)cc2s1,C36717209_decoy,CP3A4,Decoy,0 +CCC1=C(C)[C@H](C(=O)N(CC2CC[NH+](Cc3ccccc3F)CC2)C[C@H]2CCCO2)N=N1,C39430490_decoy,CP3A4,Decoy,0 +C=CCc1ccc(OCCn2c([C@H](C)[NH+]3CCCCCC3)nc3ccccc32)c(OC)c1,C39917379_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1,C40009039_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(SC)cc1,C40013598_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1,C40114443_decoy,CP3A4,Decoy,0 +CCCCC(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1,C40427520_decoy,CP3A4,Decoy,0 +CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCC[NH+](CC)CC)C3=O,C40561648_decoy,CP3A4,Decoy,0 +CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(OC)c1)N(CCC[NH+](CC)CC)C3=O,C40561682_decoy,CP3A4,Decoy,0 +CCCCS[C@H]1CCCC[C@@H]1OC(=O)CC[NH+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2,C43604407_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(F)c(F)c3)nc12,C36644648_decoy,CP3A4,Decoy,0 +CCCn1c(C[NH+](Cc2ccc(CC)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21,C58790762_decoy,CP3A4,Decoy,0 +CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)c1cnc(-c2ccc(C)cc2C)s1,C60267300_decoy,CP3A4,Decoy,0 +COc1cc(C[NH+](C)Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1SC,C60356179_decoy,CP3A4,Decoy,0 +CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)C2=c3ccccc3=[NH+][C@@H]2C)cc1,C39943198_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2nc(COC(=O)CCC3=c4ccccc4=[NH+]C3)cs2)cc1OC,C63229074_decoy,CP3A4,Decoy,0 +C1=NN=C(C2CCCCC2)[C@H]1CN(CC1CC[NH+](C2CCCC2)CC1)C[C@@H]1CCCO1,C39355372_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1,C46032479_decoy,CP3A4,Decoy,0 +C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1,C04011370_decoy,CP3A4,Decoy,0 +COc1ccc(-c2cc(N(C(C)C)C(C)C)c3ccccc3[nH+]2)cc1,C04542892_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1,C01569401_decoy,CP3A4,Decoy,0 +C[C@@H](OC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1,C01569402_decoy,CP3A4,Decoy,0 +C[C@@H](OC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1,C01569404_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(C)cccc3s2)cc1,C05115421_decoy,CP3A4,Decoy,0 +CC(C)c1nc2sc3c(SCC[NH+](C)C)ncnc3c2c2c1CCC2,C02221994_decoy,CP3A4,Decoy,0 +Cc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2ccccc2s1,C05239738_decoy,CP3A4,Decoy,0 +CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1,C02124361_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1OC,C07001508_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(C[NH+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n2c1,C08166005_decoy,CP3A4,Decoy,0 +C[C@H](c1nc2ccccc2n1C(F)F)[NH+](C)Cc1nc2ccccc2s1,C12553744_decoy,CP3A4,Decoy,0 +CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1,C12656753_decoy,CP3A4,Decoy,0 +FC(F)(F)c1cccc(-c2noc(C[NH+]3CC=C(c4ccccc4)CC3)n2)c1,C12806494_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCC[C@@H](C)n1c(SC)nc2cc(Cl)ccc21,C13209052_decoy,CP3A4,Decoy,0 +Clc1ccccc1OCC[NH+]1CCC(c2nc3ccccc3s2)CC1,C13687148_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)N=C(OCCC[NH+](C)C)/C(=C\c1ccccc1)O2,C17107114_decoy,CP3A4,Decoy,0 +Cc1ccc2c(C[NH+](C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc(=O)oc2c1C,C17524036_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)[C@@H]([C@@H](c1cccs1)N1CCCCC1)[NH+]1CCCCC1,C19360973_decoy,CP3A4,Decoy,0 +Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(-c2ccc(C3CCCCC3)cc2)n1,C20256600_decoy,CP3A4,Decoy,0 +Cc1ccsc1C[NH+](C)Cc1nc(-c2ccccc2Cl)oc1C,C20598245_decoy,CP3A4,Decoy,0 +CCCc1cc([C@H]2CCC[NH+]2Cc2ccc(OC)c(Br)c2)no1,C21719867_decoy,CP3A4,Decoy,0 +CCCc1cc([C@H]2CCC[NH+]2Cc2cc(Br)ccc2F)no1,C21720117_decoy,CP3A4,Decoy,0 +CCCc1cc([C@@H]2CCC[NH+]2Cc2ccc(Br)cc2)no1,C21720206_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1/[NH+]=c1\scc(C)n1CCCN1CCOCC1,C05299010_decoy,CP3A4,Decoy,0 +COc1cc(OC)c(C[NH+](C)C2CCCCC2)cc1Br,C23282154_decoy,CP3A4,Decoy,0 +Cc1cccc(-c2noc(C[NH+](C)Cc3c(F)cccc3Cl)n2)c1,C29698227_decoy,CP3A4,Decoy,0 +Cc1cc2oc(=O)cc(C[NH+](C3CC3)[C@H](C)C3CC3)c2cc1C(C)C,C29725117_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1ccc(C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3,C33068941_decoy1,CP3A4,Decoy,0 +C(=C/c1ccccc1)\CN1CC[NH+](Cc2cc3ccccc3o2)CC1,C33421895_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCN(c2nc(SCC)nc3sc4c(c23)CCC4)CC1,C34757047_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+](C)C2CCCCC2)cc1,C36345546_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2c3cccn3CCC[NH+]2Cc2ccc(CC)cc2)cc1,C36347754_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCn1c(CCl)nc2cc(Br)ccc21)C(C)C,C36891102_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1ccc(F)c(F)c1)c1nc2ccc(F)cc2s1,C36640657_decoy,CP3A4,Decoy,0 +CCCC(=O)N(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)c1ccccc1C,C38914915_decoy,CP3A4,Decoy,0 +CCCC(=O)N(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)c1ccc(C)c(C)c1,C38918077_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@H](CN(CC(C)C)C(=O)c1ccc(Cl)cc1)C(=O)[NH+]=2,C39006885_decoy,CP3A4,Decoy,0 +CCCCCC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(OC)cc1,C39834658_decoy,CP3A4,Decoy,0 +C[NH+](Cc1ccc(Cl)s1)Cc1cc([N+](=O)[O-])ccc1Cl,C42316405_decoy,CP3A4,Decoy,0 +c1ccc(CC[C@@H]2CCC[NH+]2Cc2coc(-c3cccs3)n2)cc1,C48303676_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(SC2CCCCC2)c(/C=[NH+]/Cc2ccccc2)c1,C02093286_decoy,CP3A4,Decoy,0 +Fc1cccc(Cl)c1C[NH+](Cc1cc(Cl)cc2c1OCOC2)C1CC1,C58370145_decoy,CP3A4,Decoy,0 +CCn1c(C[NH+](Cc2ccc(C)s2)C(C)C)nc2cc(F)ccc21,C60375430_decoy,CP3A4,Decoy,0 +CCc1ccc(-c2nc(CN3CCN(c4cccc[nH+]4)CC3)cs2)cc1,C20681560_decoy,CP3A4,Decoy,0 +CCCN(Cc1ccc(C)cc1)Cc1cc(=O)n2c3c(sc2[nH+]1)CCCC3,C33068941_decoy2,CP3A4,Decoy,0 +CC[NH+](Cc1nnc(-c2cccc(Br)c2)o1)C1CCCCC1,C63741243_decoy,CP3A4,Decoy,0 +CCN(C(=O)CCC1=c2ccccc2=[NH+]C1)C12CC3CC(CC(C3)C1)C2,C63796302_decoy,CP3A4,Decoy,0 +O=C(CCCC1=c2ccccc2=[NH+]C1)N1CCC[C@@H]1c1cccs1,C63807508_decoy,CP3A4,Decoy,0 +Fc1ccccc1Cc1noc(CCCC2=c3ccccc3=[NH+]C2)n1,C63855531_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,C00218376_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccccc1)Nc1nc2c(s1)Cc1ccccc1-2,C04224017_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2s1,C00557341_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)c1ccc(-c2ccc(Br)cc2)o1,C01217680_decoy,CP3A4,Decoy,0 +CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(s2)CCCC3)C1(C)C,C04511954_decoy,CP3A4,Decoy,0 +CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(s2)CCCC3)C1(C)C,C04511955_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccccc1,C04610344_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2ccc3ccccc3c21,C04911073_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1,C05380592_decoy,CP3A4,Decoy,0 +O/N=C1\CC/C=C/CC/C=C/CC[C@H]1SCc1ccco1,C05581506_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)c(C)c1,C06472881_decoy,CP3A4,Decoy,0 +O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1,C06473170_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(-c2c(Nc3ccc(F)cc3)c(=O)c2=O)cc1C,C06996710_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(F)c2)c(C)c1,C07750165_decoy,CP3A4,Decoy,0 +CCc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1,C08209806_decoy,CP3A4,Decoy,0 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+CCOC(=O)c1nn(-c2ccccc2F)c(=O)c2c(NC(=O)c3cc4ccccc4oc3=O)scc12,C10247186_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)Cc1c(Cl)nc2sccn12,C12771553_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cc4c(cc3Cl)OCO4)CC2=O)cc1,C12805039_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(SCC(=O)Nc3cc(C)nn3-c3ccccc3)nnc2N2CCOCC2)c1,C09781430_decoy,CP3A4,Decoy,0 +O=C(Cn1nnc2ccccc2c1=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1,C13565793_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(C)c(C)c4)c(=O)n32)cc1OC,C14013462_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)sc2c1,C14861683_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c2ccccc2c1=O,C15354503_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)on3)C2)c(C)c1,C15728951_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1OC,C16959757_decoy,CP3A4,Decoy,0 +COC(=O)c1sc2ncn3nc(-c4cnn5c4N[C@@H](c4ccccc4)C[C@@H]5C(F)F)nc3c2c1C,C02799411_decoy,CP3A4,Decoy,0 +Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)CC2)n1,C21886809_decoy,CP3A4,Decoy,0 +CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,C23291169_decoy,CP3A4,Decoy,0 +C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O,C23854433_decoy,CP3A4,Decoy,0 +COc1cc(OC)c([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2F)n2nnnc2N3)cc1OC,C28057599_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1,C33250666_decoy,CP3A4,Decoy,0 +Cc1ccnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)C2)c1,C33279491_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)\C(=O)N=C2SC(c3cccc(C)c3)=NN2\1,C02810684_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)nc1C,C35512389_decoy,CP3A4,Decoy,0 +Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)/C=C/c5ccccc5)CC4)nc32)cc1,C15987586_decoy,CP3A4,Decoy,0 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+Cc1ccccc1OCC(=O)Nc1c(O)oc2ccccc2c1=[NH+]Cc1ccccc1,C20418999_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2,C20719631_decoy,CP3A4,Decoy,0 +CC(C)C[NH+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)CC(C)C,C20728926_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@H]1Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2[C@@H]2C=CC[C@@H]12,C20748975_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1C,C20807958_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](C)N(Cc2ccco2)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,C21264025_decoy,CP3A4,Decoy,0 +CCc1ccc([C@@H](CNC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)[NH+](C)C)cc1,C22870611_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]CC1CCCCC1,C06350321_decoy,CP3A4,Decoy,0 +C=C(C)CSc1nc(N2CC[NH+](CC(N)=O)CC2)c2c3c(sc2n1)CCCC3,C34756084_decoy,CP3A4,Decoy,0 +C[C@@H](CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)[C@H]1C(=O)CC(C)(C)C[C@@H]1N2)C[NH+](C)C,C35418848_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]/c2=N\C(=O)C[NH2+]Cc2ccco2)cc1C,C35667440_decoy,CP3A4,Decoy,0 +C=C[C@@](C)(O)C[NH+](Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1)CC(C)C,C35745796_decoy,CP3A4,Decoy,0 +CCC[C@H](O)C[NH+](Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1)C1CC1,C35746502_decoy,CP3A4,Decoy,0 +CCC[C@@H](O)C[NH+](Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1)C1CC1,C35746504_decoy,CP3A4,Decoy,0 +O=C(CCc1ccccc1)NCCCNc1[nH+]c2ccccc2n1C1CCCCC1,C35957503_decoy,CP3A4,Decoy,0 +C=C[C@](C)(O)C[NH+](Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1)C1CCCCC1,C36205790_decoy,CP3A4,Decoy,0 +C=C[C@@](C)(O)C[NH+](CCC(C)C)Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1,C36205855_decoy,CP3A4,Decoy,0 +C=C[C@](C)(O)C[NH+](CCC)Cc1nc2scc(-c3ccc(C)cc3C)c2c(=O)[nH]1,C36206473_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)NCc3cccc4ccccc34)[NH+]3CCCCC3)ccc21,C38517691_decoy,CP3A4,Decoy,0 +Cc1cccc(N[C@@H](c2ccccc2F)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1,C38547390_decoy,CP3A4,Decoy,0 +CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1,C38547841_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)Cc2cccc(C)c2)sc2c1CC(C)(C)[NH2+]C2(C)C,C38806281_decoy,CP3A4,Decoy,0 +COCCNC(=O)[C@@H]1C[C@H](NCCC2=C(C)CCCC2(C)C)C[NH+]1Cc1ccc(Cl)cc1,C23360108_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/C1=c2ccccc2=[NH+]C1,C39937986_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1ccc2c(c1)CCCC2,C39942501_decoy,CP3A4,Decoy,0 +COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCC(=O)Nc1ccc(C)cc1,C40734562_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C[NH+](C)[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1,C46560504_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@H]1N[C@@H](C[NH+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)[C@H](C)O1,C39532503_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccc(NC(=O)CN[C@H](c3ccc(C)cc3)c3cccs3)cc2)CC1,C12516156_decoy,CP3A4,Decoy,0 +CCOc1ccccc1CN(C(=S)Nc1ccccc1OC)C1CC(C)(C)[NH2+]C(C)(C)C1,C05949499_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCC[C@@H]1C,C60021776_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@@H](C)CNC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1,C60156243_decoy,CP3A4,Decoy,0 +Cc1c(O)ccc2c1OC(=O)[C@@H](CCC(=O)NCCC1=c3cc(Cl)ccc3=[NH+]C1)[C@H]2C,C63486478_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(NC(=S)NCCC2=c3cc(Cl)ccc3=[NH+][C@@H]2C)c1,C63663997_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)c1ccc2c(c1)O[C@@H](CCc1ccccc1)N2,C64968087_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)/N=C(/NCCC2=c3ccccc3=[NH+]C2)Nc2ccccc2C)cc1,C65329868_decoy,CP3A4,Decoy,0 +CN(C)/C=N/C(=O)C1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1,C03111077_decoy,CP3A4,Decoy,0 +C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc[nH+]c1N1CCCC1,C08733794_decoy,CP3A4,Decoy,0 +Cc1csc2nc(C[NH+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc(=O)n12,C12682361_decoy,CP3A4,Decoy,0 +CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2,C14540042_decoy,CP3A4,Decoy,0 +CCC[C@]12CN3C[C@](C)(C[NH+](C1)[C@H]3[C@H]1C(=O)N(C)[C@H]3C=CC(C)=C[C@@H]13)C2=O,C19333770_decoy,CP3A4,Decoy,0 +c1ccc(Cc2cn(CC3CC[NH+](C4CCOCC4)CC3)nn2)cc1,C19782379_decoy,CP3A4,Decoy,0 +Cc1noc([C@H](C)[NH+]2CCN([C@@H](C)c3ccccc3Cl)CC2)n1,C29692281_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nc(C[NH+]3CCN(Cc4csc(C)n4)CC3)co2)cc1,C32909675_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2CC)CC1,C34748285_decoy,CP3A4,Decoy,0 +c1ccc2c(c1)ncn2CC1CC[NH+](Cc2cn3ccccc3n2)CC1,C36708891_decoy,CP3A4,Decoy,0 +COc1ccccc1N(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(C)=O,C38905843_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H](CN(Cc1cccnc1)C(=O)C(C)(C)C)C(=O)[NH+]=2,C39016731_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@H](CN(Cc1cccnc1)C(=O)C(C)(C)C)C(=O)[NH+]=2,C39016732_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H](CN(CC(C)C)C(=O)c1ccco1)C(=O)[NH+]=2,C39016787_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+]CC=2/C=C1/SC(=S)N(Cc2ccco2)C1=O,C39276374_decoy,CP3A4,Decoy,0 +O=C([C@H]1CCOC1)N1CCC2=C(C1)[C@H](c1ccc(C(F)(F)F)cc1)[NH+]=N2,C39394483_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H]1[C@@H]2N=C3C=CC=C[C@H]3[C@@H]2CC[NH+]1C[C@@H]1C=CN=N1,C39437864_decoy,CP3A4,Decoy,0 +Cc1cccc2c1=[NH+]C(=O)[C@H](CN(Cc1ccco1)C(=O)c1ccccc1)C=2,C39712021_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1cnnc1SCC(=O)C1=c2ccccc2=[NH+]C1,C39747029_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H](CN(C)C(=O)COc1ccccc1)C(=O)[NH+]=2,C39928338_decoy,CP3A4,Decoy,0 +Cc1cccc2c1=[NH+]C(=O)[C@@H](CN(C)C(=O)COc1ccccc1)C=2,C39928340_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN1CCN(C(=O)c2cccc(C#N)c2)c2ccccc21,C41348216_decoy,CP3A4,Decoy,0 +O=C(c1csc(-c2ccsc2)n1)N1CC[NH+](Cc2ccco2)CC1,C45931771_decoy,CP3A4,Decoy,0 +COc1ccccc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[NH+](C)CC[C@@H]21,C47213772_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)c1,C49377303_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@H]3CCCC[C@@H]32)C1,C49971433_decoy,CP3A4,Decoy,0 +Cc1nn2c(=O)cc(C[NH+](C)[C@H](C)c3ccccc3Cl)nc2s1,C53236449_decoy,CP3A4,Decoy,0 +C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2nc3ccccc3s2)CC1,C51588793_decoy,CP3A4,Decoy,0 +CCc1nnsc1C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1,C61293334_decoy,CP3A4,Decoy,0 +CC1CCC([NH+]2CCC(N(C)C(=O)c3cn4ccccc4n3)CC2)CC1,C61295097_decoy,CP3A4,Decoy,0 +CN1CC(=O)N2[C@H](CCc3ccccc3)[C@@H]3[NH+]=c4ccccc4=C3C[C@H]2C1=O,C63139341_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1,C63288816_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C1CN(S(=O)(=O)c3cccs3)CC[C@H]1[NH+]=2,C63294725_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C(\C#N)C(=O)C2=c3ccc(F)cc3=[NH+]C2)c(OC)c1,C64365091_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C(/C#N)C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)cc1,C65174263_decoy,CP3A4,Decoy,0 +Cc1nc(CC[C@@H](C)N2CC[NH+](C)CC2)n(-c2ccc(C)c(C)c2)n1,C65381036_decoy,CP3A4,Decoy,0 +Cc1nn(C(C)C)c(C)c1CN1CCN(c2[nH+]ccc3ccccc23)CC1,C65406783_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1cc2ccccc2oc1=O)C1CCCCC1,C65746154_decoy,CP3A4,Decoy,0 +Cn1c(-c2ccco2)nn(C[NH+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1=S,C65944361_decoy,CP3A4,Decoy,0 +CCc1ccc(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)s1,C66103464_decoy,CP3A4,Decoy,0 +C[C@H]1CN(C[C@@H]2CCC[NH+]2Cc2cc(F)cc3c2OCOC3)C[C@H](C)O1,C66377899_decoy,CP3A4,Decoy,0 +C[C@@H](C#N)C[NH+](C)Cc1nc(-c2cccc(Br)c2)no1,C66469778_decoy,CP3A4,Decoy,0 +CC[NH+](Cn1nc(-c2ccco2)n(C)c1=S)[C@H]1CCCC[C@@H]1C,C66793735_decoy,CP3A4,Decoy,0 +C[NH+](C)C[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2c1CCC2,C66810857_decoy,CP3A4,Decoy,0 +CN(Cc1cn2ccccc2[nH+]1)[C@H](c1ccc(F)cc1)c1ncccn1,C66881751_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(CN3CC[NH+](CC(C)C)CC3)c(=S)o2)cc1,C42912397_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2noc3ccccc23)C1,C67203736_decoy,CP3A4,Decoy,0 +CC[C@H](C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21)c1c(C)noc1C,C67209291_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(C#N)c2)C1,C67244489_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(C#N)c2)C1,C67405259_decoy,CP3A4,Decoy,0 +Fc1ccc(N2CC[NH+](Cn3nc4ccccn4c3=S)CC2)cc1,C06998463_decoy,CP3A4,Decoy,0 +Cn1cc(C[NH+]2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1,C11818737_decoy,CP3A4,Decoy,0 +C=Cn1ncc(C[NH+]2CCc3onc(-c4ccccc4F)c3C2)c1C,C12191773_decoy,CP3A4,Decoy,0 +Cn1cnn(C[NH+](C)Cc2ccccc2N2CCCCC2)c1=S,C14215314_decoy,CP3A4,Decoy,0 +CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+](C)C)C2,C14535904_decoy,CP3A4,Decoy,0 +CC(C)C[NH+](C)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1,C14742154_decoy,CP3A4,Decoy,0 +C[NH+]1CCCN(c2cnn(CCc3ccccc3)c(=O)c2)CC1,C20599411_decoy,CP3A4,Decoy,0 +Cc1ccc2c(C[NH+]3CCC[C@H]3C(=O)N(C)C)cc(=O)oc2c1C,C27566366_decoy,CP3A4,Decoy,0 +Cc1ccc(Cn2cccc/c2=[NH+]\C(=O)[C@@H]2COCCO2)cc1,C30597833_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(N2C[C@H](C(=O)N(C)[C@H]3CC[NH+](C)C3)CC2=O)cc1,C34917722_decoy,CP3A4,Decoy,0 +CN(C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C1CC[NH+](C)CC1,C34919137_decoy,CP3A4,Decoy,0 +CCCC[NH+]1CC(=O)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21,C36080488_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H](CN(C(=O)c1ccncc1)C(C)C)C(=O)[NH+]=2,C38938655_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+]C(=O)[C@H](CN(C)C(=O)c1ccccc1F)C=2,C38958953_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C[C@@H](CN(C)C(=O)c1ccccc1)C(=O)[NH+]=2,C38963655_decoy,CP3A4,Decoy,0 +CCCN(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)c1ccncc1,C38966195_decoy,CP3A4,Decoy,0 +CC(=O)N(Cc1ccco1)C[C@H]1C=c2cccc(C)c2=[NH+]C1=O,C38999687_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N(Cc1ccccc1)C[C@@H]1C=c2ccccc2=[NH+]C1=O,C39016477_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N(Cc1ccccc1)C[C@H]1C=c2ccccc2=[NH+]C1=O,C39016478_decoy,CP3A4,Decoy,0 +CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2CC(C)C,C14538282_decoy,CP3A4,Decoy,0 +C[NH+](C[C@@H]1COCCO1)C[C@@H]1C=NN=C1c1ccc(F)cc1F,C39364672_decoy,CP3A4,Decoy,0 +C1=N[C@@H]2C(=N1)CC[NH+](CCCc1ccco1)[C@@H]2c1ccccn1,C39468281_decoy,CP3A4,Decoy,0 +C[C@@H]1Cc2nnc(SCC(=O)C3=[NH+]C=CC3)n2-c2ccccc21,C39785813_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cnc(C[NH+](C)[C@H]3CCS(=O)(=O)C3)o2)cc1,C41392750_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC[C@H]2c2ccsc2)o1,C44977654_decoy,CP3A4,Decoy,0 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+O=C([C@@H]1C=C(C2CC2)N=N1)N1CCCC[C@H]1CC[NH+]1CCCC1,C65288747_decoy,CP3A4,Decoy,0 +CCc1c(C)sc2ncnc(N3CC[C@@H](n4cc[nH+]c4)C3)c12,C65369721_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1[C@@H]1CCC[NH+]1Cc1cccn1-c1nccs1,C65422071_decoy,CP3A4,Decoy,0 +C[NH+]1CCCC[C@@H]1CCC(=O)N1CCN(C(=O)C(C)(C)C)CC1,C65432189_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cc(CN3CCn4c([nH+]c(C)c4C)C3)on2)cc1,C65474352_decoy,CP3A4,Decoy,0 +C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc(=O)n2ccsc2[nH+]1,C66853141_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC(C)(C)C1,C67150874_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1,C67203995_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)[C@@H](C)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21,C67204595_decoy,CP3A4,Decoy,0 +Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21,C67205631_decoy,CP3A4,Decoy,0 +CC(C)CN1C[C@H](C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)CC1=O,C67209791_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1,C67290428_decoy,CP3A4,Decoy,0 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+Cc1ccc2c(c1)=C(CCNC(=O)CCCN1c3ccccc3C3=CNN(C)C(=O)[C@H]31)C[NH+]=2,C64491151_decoy,CP3A4,Decoy,0 +C[C@H]1c2c(NCCC3=c4ccccc4=[NH+]C3)ncnc2S[C@@H]1C(=O)N1CCCC[C@@H]1CCO,C64609863_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Br)cc12,C00753148_decoy,CP3A4,Decoy,0 +CCOc1ccc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1,C00933845_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)NC(=O)[C@@]21C(C(=O)OC(C)(C)C)=C(N)Oc2ccccc21,C04517109_decoy,CP3A4,Decoy,0 +Cc1[nH]nc2c1[C@H](c1cc(Cn3cnc4ccccc43)c(C)s1)C(C#N)=C(N)O2,C04625996_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc([C@@H]2CC(=O)Nc3sc(C(=O)c4ccco4)c(N)c32)cc1,C05044029_decoy,CP3A4,Decoy,0 +CC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1,C00641377_decoy,CP3A4,Decoy,0 +Cc1nc2ccccn2c1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1,C00853361_decoy,CP3A4,Decoy,0 +C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2sc3c(c2c1=O)CCCCC3,C03522107_decoy,CP3A4,Decoy,0 +CCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O,C08428990_decoy,CP3A4,Decoy,0 +NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1,C09906057_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H](CC(=O)NC[C@@H]2Cc3cccc(-c4ncccn4)c3O2)NC(=S)N1,C12080233_decoy,CP3A4,Decoy,0 +C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1,C12506510_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2nc(C)c(NC(=O)CSc3nc(C)cc(N)n3)c2C)cc1,C07049255_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=S)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1,C16279035_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)cc1,C20394123_decoy,CP3A4,Decoy,0 +CCCCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC1=C2C(=O)CC(C)(C)C1,C20583384_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(C)NC(=O)[C@@]12c1cc(Br)ccc1-c1oc(N)nc12,C20609357_decoy,CP3A4,Decoy,0 +CCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1CC=C[C@@H]21,C20709727_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1,C25256771_decoy,CP3A4,Decoy,0 +O=C(Cc1cccc2ccccc12)NNC(=O)NC[C@H]1COc2ccccc2O1,C31030117_decoy,CP3A4,Decoy,0 +CCc1ccc2nc(NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)sc2c1,C28837438_decoy,CP3A4,Decoy,0 +O=C(Cc1cccc2ccccc12)NN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O,C28849050_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(C(=O)NC2CCCCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1,C32101978_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(C(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1,C33020374_decoy,CP3A4,Decoy,0 +N#CC1(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)CCCC1,C35380708_decoy,CP3A4,Decoy,0 +CCCNC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1CC=C[C@H]21,C14476027_decoy,CP3A4,Decoy,0 +CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2N=C(c3ccco3)NC2=N1,C04180796_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc3ccc(N)cn3c2C[NH+]2CCC[C@@H](C(=O)[O-])C2)cc1C,C36270512_decoy,CP3A4,Decoy,0 +CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12,C07991512_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C,C36676737_decoy,CP3A4,Decoy,0 +O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1,C40160981_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1,C41628495_decoy,CP3A4,Decoy,0 +C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1,C45381001_decoy,CP3A4,Decoy,0 +CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1,C45621512_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C47534660_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc2[nH]c(=O)[nH]c2c1,C47534806_decoy,CP3A4,Decoy,0 +CC1CCC2(CC1)NC(=O)N(NC(=O)CNc1cccc3c1CCCC3)C2=O,C28658647_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4[nH+]cccc4[O-])[nH]c(=O)c23)C1,C53599583_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N=c1[nH]c2ccccc2[nH]1,C17303675_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\N=C\c2ccccc2O)NC1=O,C07109701_decoy,CP3A4,Decoy,0 +C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(Cl)c(Cl)c1,C58646993_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)ccc1O,C06844796_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(C(=O)NC(=S)NC2=CC(=O)/C(=C3\Nc4ncccc4O3)C=C2)c1,C30827896_decoy,CP3A4,Decoy,0 +O=C1C=C(NC(=S)NC(=O)c2cccc(F)c2)C=C/C1=C1/Nc2ncccc2O1,C30830239_decoy,CP3A4,Decoy,0 +COc1cc(OC)c(NC(=O)c2sc(S(N)(=O)=O)cc2C)cc1Cl,C60208904_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)on2)ccc1Cl,C63342950_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NNC(=O)c2sccc2C)cc1NC(=O)c1ccco1,C66557892_decoy,CP3A4,Decoy,0 +O=C(CC1CCCCC1)NNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,C66589220_decoy,CP3A4,Decoy,0 +CCCOc1c(Br)cc([C@@H]2NC(=O)c3n[nH]c(C)c3N2)cc1OC,C66740998_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)CN(C)C(=O)NNC(=O)c2sccc2C)c(C)c1,C67102402_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CO[C@@](C)(CC)C4)cc1,C02337272_decoy,CP3A4,Decoy,0 +O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1,C01464505_decoy,CP3A4,Decoy,0 +O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1,C08915377_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1,C01243416_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1,C09092376_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1cc(C(=O)N/N=C/c2cccc(Oc3ccc(Cl)cc3)c2)ccc1Cl,C09463851_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1,C09705849_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1,C12503318_decoy,CP3A4,Decoy,0 +CC(C)[C@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)NC(N)=O,C09514935_decoy,CP3A4,Decoy,0 +Nc1ncnc2sc3c(c12)CCN(C(=O)c1cc2sc(Nc4ccccc4)nc2s1)C3,C12607605_decoy,CP3A4,Decoy,0 +CCc1c(C)sc2nc(S[C@@H](C(=O)NC(N)=O)C(C)C)n(-c3cc(C)ccc3C)c(=O)c12,C12807370_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc3sc4c(c3c2=O)CCCC4)c1,C13137592_decoy,CP3A4,Decoy,0 +Cc1cc(C(F)(F)F)nc2sc3c(c12)N[C@H](c1c[nH]nc1-c1ccc(Br)cc1)NC3=O,C13959183_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)ccc1O,C14459175_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ncc(Cl)cc1Cl,C14639156_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2c(C)sc3nc(CSc4nnc(-c5ccccc5Cl)n4N)[nH]c(=O)c23)cc1,C14901582_decoy,CP3A4,Decoy,0 +Cc1ccc(Cc2c(O)nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c2=O)cc1,C16292511_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1ccc(NC(=O)Nc2ccc(C)cc2C)cc1,C16612419_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N,C16755842_decoy,CP3A4,Decoy,0 +Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)ncc1S(=O)(=O)c1ccc(Cl)s1,C17156186_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(I)c1O,C20615364_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1O,C20694083_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2,C20752226_decoy,CP3A4,Decoy,0 +O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1N2,C20882611_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2O)ccc1OC(C)C,C21229607_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)c(O)c(OC)c1,C21253853_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)ccc1OC(C)C,C21258079_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=N/Nc1nnc(SCc2ccc(Cl)cc2)n1N,C21320562_decoy,CP3A4,Decoy,0 +Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)n1,C22060978_decoy,CP3A4,Decoy,0 +CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)n1N,C22106769_decoy,CP3A4,Decoy,0 +O=C1N[C@H](c2ccc(-c3ccccc3Cl)o2)[C@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1,C27664428_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)Nc2ccccc2C)[C@H]1c1sccc1C,C28249963_decoy,CP3A4,Decoy,0 +Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1Cl,C35086215_decoy,CP3A4,Decoy,0 +O=c1cc(C[C@H]2NN=C(SCc3c(F)cccc3Cl)N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1,C39363160_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccccc1-c1ccccc1,C39561078_decoy,CP3A4,Decoy,0 +N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1c2ccccc2cc2ccccc12)n1[nH]c(=O)cc1N,C40144958_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2)ccc1O,C38705049_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)c(Br)c1,C40812112_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2sccc2C)c(C)c1,C41006319_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2C)[C@H]1c1cccc2ccccc12,C41006569_decoy,CP3A4,Decoy,0 +C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2cccc3ccccc23)[C@@H]1C(=O)Nc1ccccc1,C41006842_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(Cl)ccc1O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F,C00865881_decoy,CP3A4,Decoy,0 +O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@]1(N[C@@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2c(Cl)cccc21,C20572261_decoy,CP3A4,Decoy,0 +N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OCc2ccccc2F)cc1,C01068186_decoy,CP3A4,Decoy,0 +N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OCc2ccccc2F)cc1,C01068184_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)c1,C58573510_decoy,CP3A4,Decoy,0 +N#Cc1c(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(Cl)cc2)sc2c1CCCCCC2,C33728437_decoy,CP3A4,Decoy,0 +Oc1c(Br)cc(/C=N/Nc2nc(SC3CCCC3)n[nH]2)cc1Br,C21080549_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccccc1NC(=S)N/N=C/c1cc(Br)cc(Br)c1O,C15911002_decoy,CP3A4,Decoy,0 +O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)o2)NC(O)=[NH+][C@@]1([O-])C(F)(F)F,C08915322_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1,C09138373_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccc(C(=O)OC)cc3)[NH2+]2)c1O,C09542771_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+]1CCN(c2ccccc2O)CC1,C09561685_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+]1CCN(c2ccccc2O)CC1,C09561686_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCc3ccccc3C2)c1C,C10129701_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(Br)c1,C11068793_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(Br)c1,C11068803_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc(C(=O)c4ccc(Br)cc4)c(N)c23)CS1,C02262099_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CCCCC2,C15946752_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCCC3)sc3c2CC[C@@H](C)C3)cc1,C15946833_decoy,CP3A4,Decoy,0 +Cn1c(=O)n(C)c2cc([C@@H](O)COc3ccc(C[NH2+]C45CC6CC(CC(C6)C4)C5)cc3)ccc21,C16363889_decoy,CP3A4,Decoy,0 +O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc(Oc2ccccc2)cc1,C08770415_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1,C20323511_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@@H](c2c(O)ccc4ccccc24)N3)CC1,C20751786_decoy,CP3A4,Decoy,0 +Cc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1,C27829940_decoy,CP3A4,Decoy,0 +CC(=O)N(c1ccccc1)c1nc([C@H]2NC(=O)c3sc4[nH+]c(C)cc(C)c4c3N2)cs1,C28923140_decoy,CP3A4,Decoy,0 +O=C([O-])c1cc(N2CCC([NH+]3CCCCC3)CC2)[nH+]c2ccc(NC(=O)C3CCCC3)cc12,C33260544_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCC[C@@H]3C)sc3c2CC[C@@H](C)C3)cc1,C33890444_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(Br)cc2=C(c2ccccc2)/C1=C1/C[C@@H](c2cccc([N+](=O)[O-])c2)NN1,C03876357_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1,C36093629_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C,C36408810_decoy,CP3A4,Decoy,0 +CCOC(=O)C[NH+]1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@@H]1c1ccccc1O,C02290147_decoy,CP3A4,Decoy,0 +c1ccc(Nc2nc(CS[C@@H]3NN=C(C4=c5ccccc5=[NH+]C4)N3C3CC3)cs2)cc1,C38796872_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc2c1CC(C)(C)[NH2+]C2(C)C,C38806224_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3ccc4c(c3)[C@H](O)CC3(CC[NH+](C)CC3)O4)cc2)C1,C39226239_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc([C@@H]2N=c3cc(NC(=O)C4CCCCC4)ccc3=[NH+]2)c1)C1CCCCC1,C39444440_decoy,CP3A4,Decoy,0 +O=[P@@]1(Cc2ccccc2)N[NH+]2C[C@H]3C=C(Cc4ccccc4)C(c4ccccc4O)=C[C@H]3C[C@H]2CO1,C39466505_decoy,CP3A4,Decoy,0 +O=[P@@]1(Cc2ccccc2)N[NH+]2C[C@@H]3C=C(Br)C(c4ccccc4O)=C[C@@H]3C[C@@H]2CO1,C39466529_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(Br)C(Cc4ccccc4)=C[C@H]3C[C@@H]2CO1,C39467076_decoy,CP3A4,Decoy,0 +CCO[P@]1(=O)N[NH+]2C[C@@H]3C=C(Cc4ccccc4)C(c4ccccc4O)=C[C@@H]3C[C@@H]2CO1,C39469348_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@@H](C(=O)NC3CCCCCCC3)C3(CC[NH2+]CC3)C2)ccc1Br,C39659828_decoy,CP3A4,Decoy,0 +O=C1CCCC2=C1[C@H](C1=CC=[NH+]C1)N1NC(SC(c3ccccc3)c3ccccc3)=N[C@@H]1N2,C39916071_decoy,CP3A4,Decoy,0 +Cc1cc[nH+]c(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1,C38551039_decoy,CP3A4,Decoy,0 +Cc1cccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1,C38551042_decoy,CP3A4,Decoy,0 +CCc1[nH]c(C)c/c(=[NH+]\CC(=O)[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@@]32C)c1O,C35396480_decoy,CP3A4,Decoy,0 +O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1,C22741531_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N/[NH+]=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2C)cc1,C59170462_decoy,CP3A4,Decoy,0 +O=C(CSC1=[NH+]C2(CCCCC2)NN1c1ccccc1)Nc1nc(-c2ccccc2)cs1,C59564739_decoy,CP3A4,Decoy,0 +CSc1ccccc1NC(=O)C1=CC2=[NH+][C@H]3c4ccccc4CC[C@H]3[C@@H](C(F)(F)F)N2N1,C13426381_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)C1=CNN2C1=[NH+][C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F,C15931287_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1,C15946353_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)C2=c3ccccc3=[NH+]C2)cc1,C63187711_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@@H]([C@H]3NCCC4=c5ccccc5=[NH+][C@@H]43)[C@@H](O)N(c3ccc(C)cc3)C2=O)cc1,C63372535_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(C(=O)NCCC3=c4ccccc4=[NH+]C3)c2)C(=O)N1,C63467916_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)[C@@]1(N[C@H](CC3=c4ccccc4=[NH+]C3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)C(=O)N2,C63479868_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](CC4=c5ccccc5=[NH+]C4)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c1,C63480114_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)S[C@@H](N1CCC[C@H](C(=O)NCCC3=c4ccccc4=[NH+]C3)C1)N2,C63502954_decoy,CP3A4,Decoy,0 +COC(=O)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)Nc1ccc([C@@H]2C=c3cc(Cl)ccc3=[NH+]2)cc1,C63743888_decoy,CP3A4,Decoy,0 +Cc1ccc(Nc2nc(C(=O)NCCC3=c4ccccc4=[NH+]C3)cc3occc23)cc1Cl,C64772184_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(F)c(Cl)c2)cc1C,C65074822_decoy,CP3A4,Decoy,0 +O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1CCN(c2cccc[nH+]2)CC1,C02633050_decoy,CP3A4,Decoy,0 +CCOC(=O)C(=[NH+]Nc1ccc(Br)cc1)N(C1CCCCC1)C1CCCCC1,C03179889_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+](CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC,C08918357_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2,C09140781_decoy,CP3A4,Decoy,0 +Cc1c(NC(=O)C[NH+]2CCCC[C@H]2c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C,C09672072_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(n2c3c(c(SCC(=O)Nc4ccc(F)cc4F)nc2=O)CCCC3)CC1,C09817292_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3nc(C[NH+]4CCN(S(=O)(=O)c5ccccc5)CC4)[nH]c(=O)c23)s1,C09872493_decoy,CP3A4,Decoy,0 +Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NN3CC[NH+](C)CC3)N(c3ccccc3)C2=O)cc1,C09970594_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F,C09873828_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+](CCCO)C[C@@H]2C(=O)O[C@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]32)cc1OC,C15955556_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCN3CC[NH+](C)CC3)C2=O)cc1,C20181274_decoy,CP3A4,Decoy,0 +C[C@@H]1c2ccsc2CC[NH+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1,C21584772_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)C2)s1,C22694970_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2)CC1,C23042291_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cccc([C@@H](C)[NH+](Cc2ccccc2)Cc2cccc(S(=O)(=O)N(C)C)c2)c1,C23078147_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cccc([C@H](C)[NH+](Cc2ccccc2)Cc2cccc(S(=O)(=O)N(C)C)c2)c1,C23078148_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1,C23817179_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3,C24473188_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)c1,C29835847_decoy,CP3A4,Decoy,0 +Cc1ccc(CNC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,C31580363_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C31585803_decoy,CP3A4,Decoy,0 +COc1cc(C)c(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCCc2ccccc21,C32536811_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@@H](CNC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2cccs2)CC1,C32819252_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1,C34692066_decoy,CP3A4,Decoy,0 +C=CC[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2CC(=O)Nc2ccc(C)cc2)CC1,C34748335_decoy,CP3A4,Decoy,0 +CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1sc2c(c1C(=O)OC(C)(C)C)CC[NH+](C)C2,C22612086_decoy,CP3A4,Decoy,0 +Cc1cccc([C@@H]2c3cc(OCC(=O)N4CC[NH2+][C@@H](C)C4)ccc3CCN2C(=O)c2ccco2)c1,C34685693_decoy,CP3A4,Decoy,0 +CN1CCc2cc([C@H](CNC(=O)CCS(=O)(=O)c3ccccc3)[NH+]3CCCCC3)ccc21,C38671496_decoy,CP3A4,Decoy,0 +CSC1=C[C@H]2C[C@H]3CO[P@](=O)(S(=O)(=O)Oc4ccccc4)N[NH+]3C[C@@H]2C=C1SC,C39469682_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1)N1CCC[C@@H](c2nc3ccccc3s2)C1,C39760740_decoy,CP3A4,Decoy,0 +Cc1nn(C)c(C)c1C[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)CC1,C39965315_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCC(N(C)C(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1,C40158083_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](C[C@@H](O)COc2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1,C40316960_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](C[C@H](O)COc2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)o1,C40316996_decoy,CP3A4,Decoy,0 +CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+]3CCCC[C@@H]3C)cc21,C40450363_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)C1,C45754547_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(-c3ccncc3)nn(C[NH+]3CCNC(=O)C[C@@H]3c3ccccc3)c2=S)cc1,C48365708_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2/C(=[NH2+])N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Br)cc1,C20236078_decoy,CP3A4,Decoy,0 +O[C@H](COC[C@H]1CC=CO1)C[NH+]1CCC(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)CC1,C52627145_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2)C1,C59057542_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[NH+](Cc2csc(NC(=O)CN(C)C(=O)c3ccc(Br)s3)n2)C1,C59369009_decoy,CP3A4,Decoy,0 +COc1cc(C[NH+](C)CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)ccc1SC,C60356166_decoy,CP3A4,Decoy,0 +O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)N1CC=C(c2ccccc2)CC1,C39795552_decoy,CP3A4,Decoy,0 +O=C(NCc1ccccc1Cl)[C@H]1[C@H]2C(=O)N(CCC3=c4ccccc4=[NH+]C3)C[C@]23C=C[C@H]1O3,C63385615_decoy,CP3A4,Decoy,0 +CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=c3ccccc3=[NH+]C2)[C@H]1c1ccc2c(c1)OCO2,C63807283_decoy,CP3A4,Decoy,0 +CC(C)[C@@H]1C(C(=O)N2CC=C(C3=c4cccnc4=[NH+]C3)CC2)=CNN1c1ccc(C(F)(F)F)cn1,C64085443_decoy,CP3A4,Decoy,0 +COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O,C15470156_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2cccs2)c1,C64212935_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](C2=c3ccccc3=[NH+]C2)c2cccs2)c1,C64212937_decoy,CP3A4,Decoy,0 +O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCCC[NH+]1CCc2ccccc2C1,C65061732_decoy,CP3A4,Decoy,0 +Cn1c(-c2ccco2)nn(C[NH+]2CCC(c3ccccc3)CC2)c1=S,C00709766_decoy,CP3A4,Decoy,0 +O=C1C=C(N2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccc(F)cc1,C01441543_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H](c1ccccc1)c1nnnn1-c1ccc(Br)cc1,C04673452_decoy,CP3A4,Decoy,0 +O=c1cc(C[NH+]2CCC[C@@H]2c2nc3ccccc3s2)nc2sccn12,C06610987_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)CC1,C07604362_decoy,CP3A4,Decoy,0 +c1ccc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)o2)cc1,C07984300_decoy,CP3A4,Decoy,0 +Cc1nc(-c2cncc(-c3cccs3)c2)cc(N2CC[NH+](C)CC2)n1,C01497145_decoy,CP3A4,Decoy,0 +CN(Cc1ccc(Cl)s1)c1ccc(S(=O)(=O)N2CCCC2)c[nH+]1,C09125213_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N2CC[NH+]=C2c2ccccc2)c2ccccc12,C00937811_decoy,CP3A4,Decoy,0 +COc1ccccc1-n1cnn(C[NH+]2CCC[C@H]2c2ccccc2)c1=S,C14309267_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nn(C[NH+]3CCc4sccc4C3)c(=S)o2)cc1,C14309528_decoy,CP3A4,Decoy,0 +C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH+]1CCSCC1)C2,C14531763_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(C(=O)c2sc(COc3ccc(C)cc3)nc2C)CC1,C20428446_decoy,CP3A4,Decoy,0 +C[NH+]1CCCC[C@@H]1CCn1ncc(N2CCc3ccccc3C2)cc1=O,C20909029_decoy,CP3A4,Decoy,0 +CC(C)/[NH+]=c1\ccccn1C(=O)Cn1c2ccccc2c(=O)c2ccccc21,C23198646_decoy,CP3A4,Decoy,0 +CCc1ccc(N2C(=O)C[NH+](C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1,C31773654_decoy,CP3A4,Decoy,0 +CCn1cc(C(=O)N2CC[C@]3(CCC[NH+](CCC4CCCCC4)C3)C2)cn1,C12454191_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)N(C)[C@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[NH+](C)C1,C34746352_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1,C34747122_decoy,CP3A4,Decoy,0 +CCCC[C@@]12CN3C[C@@](C)(C[NH+](C1)[C@H]3[C@H]1C(=O)N(CC)c3ccccc31)C2=O,C19333873_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)CC1,C21262338_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(-c2ccc(C(=O)N3CCC[NH+](C)CC3)cc2)cc1,C03241552_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)N(CC[NH+](C)C)[C@@H](C)C2)c(C)c1,C36126410_decoy,CP3A4,Decoy,0 +S=C1N=[NH+][C@H](c2cccnc2)N1/N=C/c1cccc(Br)c1,C38903002_decoy,CP3A4,Decoy,0 +CCC(=O)N(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)c1ccc(OC)cc1,C38932526_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+]C(=O)[C@H](CN(C)C(=O)c1ccc(Cl)cc1)C=2,C38964137_decoy,CP3A4,Decoy,0 +O=C(CCC1=C2CCCC[C@@H]2N=N1)N1CC[C@]2(CCC[NH+](CC3CC3)C2)C1,C39400066_decoy,CP3A4,Decoy,0 +O=C(CCC1=C2CCCC[C@H]2N=N1)N1CC[C@@]2(CCC[NH+](CC3CC3)C2)C1,C39400068_decoy,CP3A4,Decoy,0 +CC1=N[C@H](C[NH+](C)C2CCN(c3cccc(-c4cscn4)c3)CC2)N=C1,C39455392_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)N1CCSc2ccccc21)C[C@H]1COc2ccccc2O1,C16378720_decoy,CP3A4,Decoy,0 +Cc1csc(N2CC[NH+]([C@H](C)C(=O)N(C)C3CCCCC3)CC2)n1,C47890935_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1C[NH+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2,C50959966_decoy,CP3A4,Decoy,0 +C[C@@H]1CC[C@H]2[C@@H](CCC[NH+]2Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1,C63125438_decoy,CP3A4,Decoy,0 +CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2CCc2ccccc2)C1=O,C63139335_decoy,CP3A4,Decoy,0 +S=C1[NH+]=N[C@H](c2cccnc2)N1/N=C/c1ccccc1Br,C38906158_decoy,CP3A4,Decoy,0 +CC(C)(C)[NH+]1CCCN(C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)CC1,C63724098_decoy,CP3A4,Decoy,0 +c1sc(C2CCCC2)nc1C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1,C63993907_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)C[NH+](Cc1csc(-c3cnn(C)c3)n1)CC2,C64013321_decoy,CP3A4,Decoy,0 +COC(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccc1F,C64045204_decoy,CP3A4,Decoy,0 +C[C@@H](OC[C@H]1CCCO1)C(=O)N1CC=C(C2=c3ccc(F)cc3=[NH+]C2)CC1,C64120909_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2cnn(C)c2)c1,C64152152_decoy,CP3A4,Decoy,0 +Cc1csc(N2CCC[NH+](CC(=O)N(C)[C@H](C)c3cccs3)CC2)n1,C64637116_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)nc2Cl)CC1,C66096459_decoy,CP3A4,Decoy,0 +CC1CCC([NH+]2CCC(N(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,C66103404_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C/S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)cc1,C66103461_decoy,CP3A4,Decoy,0 +CC[NH+](Cn1nc(N2CCOCC2)sc1=S)[C@@H]1CCCC[C@@H]1C,C66793686_decoy,CP3A4,Decoy,0 +Cc1cccn2cc(CC(=O)N3C[C@@H]([NH+](C)C)Cc4ccccc43)nc12,C67208303_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)COC3)C1,C67244477_decoy,CP3A4,Decoy,0 +Cc1cccn2cc(CN(C)[C@@H](c3ccc(F)cc3)c3ncccn3)[nH+]c12,C67400192_decoy,CP3A4,Decoy,0 +CCCCC(=O)N1CCC2(CCC([NH+]3CC(n4cccn4)C3)CC2)CC1,C67472646_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccncc1,C04271563_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC,C00783049_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@H](C)[NH+]([C@@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2,C05389114_decoy,CP3A4,Decoy,0 +Cn1c(=O)c2sc3c(c2n(CC[NH+]2CCCCC2)c1=O)COC(C)(C)C3,C06759197_decoy,CP3A4,Decoy,0 +Cc1cccc2nc(C[NH+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc(=O)n12,C07606367_decoy,CP3A4,Decoy,0 +c1ccc(-n2nnnc2C[NH+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1,C09645164_decoy,CP3A4,Decoy,0 +CCOc1ccccc1N1C(=O)C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1=O,C09871208_decoy,CP3A4,Decoy,0 +CCN(c1ccc(-c2csc(N3CC[NH+](C)CC3)n2)cc1)S(C)(=O)=O,C08993877_decoy,CP3A4,Decoy,0 +S=c1n(C[NH+]2CCCC2)nc([C@H]2COc3ccccc3O2)n1-c1ccccc1,C03362759_decoy,CP3A4,Decoy,0 +CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH+]1CCC(C)CC1)C2,C14753030_decoy,CP3A4,Decoy,0 +C[C@H]1CCCN(c2ncc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)C1,C19496640_decoy,CP3A4,Decoy,0 +c1coc(-c2cc(C[NH+]3CCN(Cc4nc5ccccc5s4)CC3)no2)c1,C22780606_decoy,CP3A4,Decoy,0 +Cc1ccccc1CN1CC[NH+](Cn2nc(-c3ccoc3C)n(C)c2=S)CC1,C24439378_decoy,CP3A4,Decoy,0 +COc1cc2oc(=O)c3c(c2cc1OC)CCN(CC[NH+]1CC2CCC(CC2)C1)C3,C27756319_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(c2cc(C#N)ccn2)CC1,C29451263_decoy,CP3A4,Decoy,0 +Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C(C)C)c(C)[nH+]1,C33615779_decoy,CP3A4,Decoy,0 +CC(C)(C)C[NH+]1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1,C36216572_decoy,CP3A4,Decoy,0 +CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccncc1)N(CC[NH+](C)C)C3=O,C38728200_decoy,CP3A4,Decoy,0 +FC(F)[C@@H]1N=N[C@H](S)N1/N=C/C1=CN=[NH+][C@H]1c1ccc(Br)cc1,C39441907_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCN(C(=O)c2cc(C3=CN=NC3)nc3ccc(Cl)cc23)CC1,C39442894_decoy,CP3A4,Decoy,0 +Cc1ncc2c(c1-c1noc([C@@H]3C=CC=[NH+]3)n1)CCN(C1Cc3ccccc3C1)C2,C39478321_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(SCC(=O)C3=[NH+]C=CC3)nc3ccccc3c2=O)n1,C39733386_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@H]([C@@H]1C=c3cc(C)ccc3=[NH+]C1=O)N(C(C)=O)CC2,C40010275_decoy,CP3A4,Decoy,0 +CCCCn1cnc2sc(C(=O)N(C)C3CC[NH+](C)CC3)c(C)c2c1=O,C41293259_decoy,CP3A4,Decoy,0 +Cc1ccc(CN2C[C@H]3C[C@@H](c4cccn4-c4ccccn4)[NH+]4CCC[C@]34C2=O)o1,C43608485_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)Cn1ncc(Cl)c(Cl)c1=O,C47982862_decoy,CP3A4,Decoy,0 +Cc1csc2[nH+]c(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12,C49611699_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CC[NH+](C)C2,C27529475_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cc(=O)n2ccsc2[nH+]1,C55941559_decoy,CP3A4,Decoy,0 +Cc1cccc2[nH+]c(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc(=O)n12,C57303529_decoy,CP3A4,Decoy,0 +O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCN(c2cccc[nH+]2)CC1,C54868217_decoy,CP3A4,Decoy,0 +COc1ccc(CN2CC(=O)N3[C@H](C)[C@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63137328_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CC4)CC(=O)N32)c1,C63137555_decoy,CP3A4,Decoy,0 +COCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccccc2C)C1=O,C63141922_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(C)[C@@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[NH+]=2,C63832772_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(C(=O)CSC2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)CC1,C63886392_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)C[NH+](Cn1nc(Cc3csc(C)n3)oc1=S)CC2,C64028715_decoy,CP3A4,Decoy,0 +Cc1nc(C)n(CC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2C2CCCCC2)n1,C64061336_decoy,CP3A4,Decoy,0 +CC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccccc3=C2c2ccccc2)C[C@@H]1[C@@H]1CC=CO1,C64076211_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1CCCN(C(=O)c2csc([C@H]3C=c4ccccc4=[NH+]3)n2)C1,C64411077_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1CN1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1,C64568798_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(C(=O)[C@H](C)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1,C65061834_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c(C)c1,C66103459_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)cc(CN(C)[C@H](c3ccc(F)cc3)c3ncccn3)[nH+]c12,C66881479_decoy,CP3A4,Decoy,0 +Cc1csc2[nH+]c(CN(C)[C@@H](c3ccc(F)cc3)c3ncccn3)cc(=O)n12,C66882370_decoy,CP3A4,Decoy,0 +c1cnc(-c2nc(C[NH+]3CCC[C@H]3c3cccc4c3OCCO4)cs2)nc1,C66898978_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCc2nc(-c3cccs3)no2)C1,C67207030_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1,C67210056_decoy,CP3A4,Decoy,0 +CCN(C(C)=O)c1nc(C[NH+]2CCC[C@@H]2c2cccc3c2OCCO3)cs1,C67231182_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1,C67244571_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[NH+](Cc3ccc(CO)o3)C2)cc1,C03841920_decoy,CP3A4,Decoy,0 +N#Cc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[NH+](Cc3ccc(F)cc3)C2)cc1,C05413675_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCC3,C06841175_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(O)c1,C08373810_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1,C09465380_decoy,CP3A4,Decoy,0 +O=C(COc1coc(C[NH+]2CCc3ccccc3C2)cc1=O)Nc1cccc2ccccc12,C10166351_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(Br)c1,C10833993_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1,C11814366_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]Cc2cnc(N3CCOCC3)s2)C1,C11842411_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H]1C[NH+](CCNC(=O)c2sc(C)nc2C)Cc2ccccc2O1,C12034366_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)NC[C@@H]1CCC2(CC[NH+](Cc3nc4ccccc4s3)CC2)O1,C12056448_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H]1C[NH+](CC(=O)NCc2cccc(C)n2)Cc2ccccc2O1,C12149251_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cnc(N3CCOCC3)s2)cc1C,C12589812_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(F)c(F)c1,C14328009_decoy,CP3A4,Decoy,0 +COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(C#Cc4cncnc4)cc3)c2C)cc1,C14958487_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+](C)C)o1,C15860373_decoy,CP3A4,Decoy,0 +C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2,C14754975_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21,C21775197_decoy,CP3A4,Decoy,0 +Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Br)cc3F)CC2)on1,C22255040_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Sc1ccccc1,C22793838_decoy,CP3A4,Decoy,0 +Cc1nc(N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)nc2cc3c(cc12)CCC3,C23192613_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCC[NH+]1Cc1csc(-c2ccsc2)n1,C24215820_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,C25604400_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)c(C)c1,C25677442_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)cc1,C32536498_decoy,CP3A4,Decoy,0 +C[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)[NH+]1CCc2sccc2C1,C32429415_decoy,CP3A4,Decoy,0 +C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](CC(=O)N3CCCC3)C[C@H]12,C35871863_decoy,CP3A4,Decoy,0 +CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C[C@H](c2ccccc2)[NH+](C)C)c2ccccc21,C36353973_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCc2sccc2C1,C36647721_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3cc(Br)ccc3n2)o1,C13153092_decoy,CP3A4,Decoy,0 +CSc1ncccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1,C38672806_decoy,CP3A4,Decoy,0 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+CCc1ccc([C@H]2CN3C(=O)CN(CCO)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)cc1,C63375059_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2cc(F)ccc2=[NH+]C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1,C63491536_decoy,CP3A4,Decoy,0 +Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)NCCC1=c2ccccc2=[NH+][C@H]1C,C63513872_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCN[C@@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)C[NH+]=2,C63626181_decoy,CP3A4,Decoy,0 +Cc1ncc2c(c1CNC(=O)[C@@H]1C=c3ccccc3=[NH+]1)CCN(C(=O)CC1=CCCCC1)C2,C64053674_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc([C@H]2C=c3ccccc3=[NH+]2)c1)C1CCN(C(=O)[C@@H]2CCOC2)CC1,C64143463_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCN1C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC1=O)C[NH+]=2,C64481763_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1,C64540696_decoy,CP3A4,Decoy,0 +CC1=c2cc(C)ccc2=[NH+][C@@H]1[C@@H]1NC(CCN(C)C(=O)c2c(F)cccc2F)=NO1,C65182781_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1,C02176211_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C01167213_decoy,CP3A4,Decoy,0 +CC(=O)c1cccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1,C02872029_decoy,CP3A4,Decoy,0 +CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)N(CC)C2=O)cc1,C09846348_decoy,CP3A4,Decoy,0 +C[C@@H](Oc1ccccc1F)c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1,C09882540_decoy,CP3A4,Decoy,0 +CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c1C,C02658737_decoy,CP3A4,Decoy,0 +CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1,C12597846_decoy,CP3A4,Decoy,0 +CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1[C@@H](C)Oc1ccccc1,C13567167_decoy,CP3A4,Decoy,0 +COc1ccc(SCCCC(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc1,C13667269_decoy,CP3A4,Decoy,0 +Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@H](C)C(=O)Nc3c(C)cccc3C)c2C)cc1,C14672257_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1,C14710133_decoy,CP3A4,Decoy,0 +CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C,C14754140_decoy,CP3A4,Decoy,0 +COc1cc(/C=C/C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1OC(C)C,C15527844_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=C/C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C,C15748777_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2\SC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1,C15800509_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CSc2ccccc2C(=O)O[C@@H](C)C(=O)N2CCCCCC2)cc1,C16792719_decoy,CP3A4,Decoy,0 +C=CCn1c(S[C@@H](C)C(=O)NCc2ccco2)nc2cc(-c3ccccc3)sc2c1=O,C21494563_decoy,CP3A4,Decoy,0 +Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1,C22001800_decoy,CP3A4,Decoy,0 +COc1cc(/C=C/C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1,C25469777_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1,C26864509_decoy,CP3A4,Decoy,0 +COc1ccc(CCNC(=O)COC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)cc1,C28830897_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1,C00877974_decoy,CP3A4,Decoy,0 +CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccccc1OC,C01925815_decoy,CP3A4,Decoy,0 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+C=CCNC(=O)c1cc2ccc(OC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2oc1=O,C40893724_decoy,CP3A4,Decoy,0 +CC(C)n1c(S[C@@H](C)C(=O)Nc2ccccc2F)nnc1[C@H](C)Oc1ccccc1F,C19985194_decoy,CP3A4,Decoy,0 +CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O,C45353422_decoy,CP3A4,Decoy,0 +CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O,C45353430_decoy,CP3A4,Decoy,0 +COc1cc(OC)cc([C@H](CC(=O)N[C@@H](C)C(C)C)c2cnc3ccc(Cl)cn23)c1,C04156275_decoy,CP3A4,Decoy,0 +COC(=O)c1csc(CN(CCC(C)C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1,C00961740_decoy,CP3A4,Decoy,0 +CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(OC(F)F)cc1,C57460715_decoy,CP3A4,Decoy,0 +Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCCc1nc(C(C)C)no1,C57990960_decoy,CP3A4,Decoy,0 +COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCCC2=CCCCC2)c1,C21002925_decoy,CP3A4,Decoy,0 +CCc1ccc(OCC(=O)N/N=C(/C)c2ccc(OC)cc2OC)c(Br)c1,C35264253_decoy,CP3A4,Decoy,0 +CC(C)COc1ccccc1NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,C59783068_decoy,CP3A4,Decoy,0 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+CCOc1cc(C(=O)N2CCN(c3nc4ccc(SC)cc4s3)CC2)cc(OCC)c1OCC,C12495106_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc(N2CCOCC2)c(/N=C/c2c(F)c(F)c(F)c(F)c2F)c1)N1CCOCC1,C12600144_decoy,CP3A4,Decoy,0 +CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(Br)ccc21,C09662984_decoy,CP3A4,Decoy,0 +Cc1sc2nc(C3CCCCC3)nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C,C13499948_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12,C13775120_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)N=C(C)C2C(=O)OC[C@H]2CCCO2)c1OC,C13943591_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\CS/C(=C\c3ccc(OC)c(Cn4cccn4)c3)C2=O)cc1Cn1cccn1,C20151945_decoy,CP3A4,Decoy,0 +Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4cn(CCC#N)c5ccccc45)C3=O)CC2)cc1Cl,C20266084_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)C(=O)N1CCOCC1,C20882384_decoy,CP3A4,Decoy,0 +CC(C)CCn1c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3,C20984541_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc1C,C23459040_decoy,CP3A4,Decoy,0 +O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C24092613_decoy,CP3A4,Decoy,0 +C=CCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nc2ccccc21,C24535016_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)COC(=O)c2csc3ccccc23)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,C24835763_decoy,CP3A4,Decoy,0 +CCOC(=O)C(CC(=O)N1CCN([C@@H](C#N)c2cccnc2C)CC1)(c1ccccc1)c1ccccc1,C13833197_decoy,CP3A4,Decoy,0 +O=S(=O)(CCSc1nnc(N2CCCC2)n1Cc1ccco1)c1ccc(Br)cc1,C28483933_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)C[C@@H](C)O1,C33445631_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccc2cccnc12)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@@H]1CCCO1,C33617671_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(C(=O)c2csc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3)n2)C[C@H](C)O1,C16460702_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)ccc1OCc1ccccc1,C35514601_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1OC(F)F,C35671680_decoy,CP3A4,Decoy,0 +COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2ccc(Br)cc2)c(C)n1C,C35868380_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1,C32962397_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1OC,C03018632_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3ncn(CC(=O)N(C4CCCC4)[C@@H]4CCS(=O)(=O)C4)c(=O)c23)cc1C,C08943498_decoy,CP3A4,Decoy,0 +CC[C@H](C)CC1=C2C(=O)N=C(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)N=C2S[C@@H]1C,C38769481_decoy,CP3A4,Decoy,0 +O=C([C@@H]1S[C@H]2C(=CC=C[C@H]2[N+](=O)[O-])[C@@H]1Cl)N(CC1=CC=C[C@H]2N=CC=C12)CC1=CC=C[C@H]2N=CC=C12,C38777334_decoy,CP3A4,Decoy,0 +Cc1ccc2sc(N(CCCN3CCOCC3)C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc2c1C,C36706582_decoy,CP3A4,Decoy,0 +CC1=C(CCC(=O)N2CC[C@H]3C(=C[C@H](c4cccc5nc(C)ccc45)C(=O)N3CC3CC3)C2)[C@@H](C)N=N1,C39337865_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccccc1)[C@@H]1CC[C@@]2(C[C@H](Br)CN2S(=O)(=O)Oc2ccccc2)C1,C39508540_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)[C@@H]1CCC[C@]2(CCC[C@H](S(=O)(=O)C(C)C)N2S(=O)(=O)c2ccccc2)C1,C39526959_decoy,CP3A4,Decoy,0 +Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1C,C39836074_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC,C39876926_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S,C39989852_decoy,CP3A4,Decoy,0 +CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O,C16718124_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3csc(-c4ccnc(CC)c4)n3)n(C3CCCC3)c2C)C1,C44162817_decoy,CP3A4,Decoy,0 +COC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](C)Oc1c(F)c(F)c(F)c(F)c1F,C41350147_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(C)N=C(C(=O)CS[C@H]2N=C3S[C@H]4CCCC4=C3C(=O)N2c2ccccc2)[C@@H]1C,C63567638_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3ccc4ncsc4c3)sc2c1,C05121617_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1,C09328209_decoy,CP3A4,Decoy,0 +Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc4ncsc4c3)nc2c1C,C10068488_decoy,CP3A4,Decoy,0 +Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(CCC[NH+](C)C)C3=O,C10233143_decoy,CP3A4,Decoy,0 +Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(CCC[NH+](C)C)C3=O,C10233144_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)C[NH+]([C@H]1CCCN(C(=O)c3scc4c3CCCC4)C1)CC2,C11816653_decoy,CP3A4,Decoy,0 +c1ccc(-c2nc3c(c(N4CC[NH+](Cc5nc6c(s5)CCCC6)CC4)n2)CCC3)cc1,C12579371_decoy,CP3A4,Decoy,0 +C(=N/N1CCN(c2cccc[nH+]2)CC1)\C1=C(Sc2nc3ccccc3s2)CCCC1,C12618346_decoy,CP3A4,Decoy,0 +CSc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCC4)n12)CC[C@H](C)C3,C13728024_decoy,CP3A4,Decoy,0 +Cc1cccc(Oc2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)c1,C03568425_decoy,CP3A4,Decoy,0 +Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@H]4C[C@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)CC2)c1C,C01280149_decoy,CP3A4,Decoy,0 +Clc1ccc(C[NH+]2CCc3nc(-c4ccccn4)nc(N4CCCCC4)c3C2)s1,C16079890_decoy,CP3A4,Decoy,0 +C[NH+]1CC[C@]2(CCN(Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1,C19227897_decoy,CP3A4,Decoy,0 +Cc1nc(C2=CC[NH+](Cc3cccc4ccccc34)CC2)nc(N2CCOCC2)c1C,C19555256_decoy,CP3A4,Decoy,0 +Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)c1,C22785839_decoy,CP3A4,Decoy,0 +FC(F)(F)c1ccc(-c2noc(C3CC[NH+](Cc4ccc(Cl)s4)CC3)n2)cn1,C24879097_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]12,C09424178_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)c(C)c1,C34747318_decoy,CP3A4,Decoy,0 +Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Br)c1)N(CC[NH+](C)C)C3=O,C35486525_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(F)cc1,C35486616_decoy,CP3A4,Decoy,0 +CC(C)c1nc(N2CCN(CC[NH+]3CCCCC3)CC2)c2c3c(sc2n1)CCCC3,C35892729_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2c3cccn3CCC[NH+]2Cc2cc(C)cc(C)c2)c(OC)c1OC,C37522527_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c(OC)c1OC,C37523551_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)c2ccccc2C)cc1,C38890569_decoy,CP3A4,Decoy,0 +COc1ccccc1N(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)c1cccc(C)c1,C38903370_decoy,CP3A4,Decoy,0 +C=CCN1[C@@H](S[C@H]2C(=O)[NH+]=c3ccccc3=C2c2ccccc2)N=N[C@@H]1c1ccccc1,C38915268_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/N2C(=S)N=[NH+][C@H]2c2ccc(Cl)cc2)cc1Br,C39007396_decoy,CP3A4,Decoy,0 +COc1ccc(N(C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)C(=O)c2ccccc2C)cc1,C39015986_decoy,CP3A4,Decoy,0 +Cc1nnc(S[C@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)n1C1CC1,C39455836_decoy,CP3A4,Decoy,0 +O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH+]c2sccn12,C20509575_decoy,CP3A4,Decoy,0 +O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH+]c2ccccn12,C23290498_decoy,CP3A4,Decoy,0 +Cc1nc(N2CCN(c3cccc[nH+]3)CC2)c2c(-c3ccc(F)cc3)c(C)sc2n1,C62046520_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2c(C)sc3nc(C)nc(N(C)C4CC[NH+](C)CC4)c23)cc1,C62046799_decoy,CP3A4,Decoy,0 +CCCCCN1CC(=O)N2[C@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(Cl)cc2)C1=O,C63137245_decoy,CP3A4,Decoy,0 +CCCCCN1CC(=O)N2[C@H](c3cccc(C)c3)[C@@H]3[NH+]=c4ccccc4=C3C[C@H]2C1=O,C63137500_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1,C63138336_decoy,CP3A4,Decoy,0 +Cc1ccc(CN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c3cccc(C)c3)C2=O)cc1,C63138663_decoy,CP3A4,Decoy,0 +CC(C)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(C(C)C)cc2)C1=O,C63139453_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2ccccc2o1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1C(F)(F)F,C63150940_decoy,CP3A4,Decoy,0 +CCCN1CC(=O)N2C[C@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O,C63362837_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@H]21,C63375179_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@H]21,C63375180_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3)C3=c4ccccc4=[NH+][C@H]3[C@@H]21,C63375296_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@@H]3[C@H]2c2ccc(F)cc2)cc1,C63491741_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1-n1c(SCC2=c3ccccc3=[NH+]C2)nnc1-c1ccncc1,C63893552_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=N/N1C(=S)[NH+]=N[C@@H]1c1cccc(Cl)c1,C38990223_decoy,CP3A4,Decoy,0 +CC(C)Oc1cccc([C@H]2N=[NH+]C(=S)N2/N=C/c2cc(Br)ccc2F)c1,C39012447_decoy,CP3A4,Decoy,0 +C[C@@H]1N=N[C@H]2C(=O)N(CCC3=c4ccccc4=[NH+]C3)[C@@H](c3ccc(Br)cc3)[C@@H]12,C64600445_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C)C(=O)C[NH+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1C,C35403583_decoy,CP3A4,Decoy,0 +O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1,C22932062_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N(C)CCC#N)[C@@H]1CC[C@]2(C)Cc3sc(NC(=O)C4CC4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840775_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(-c2cc(Br)ccc2O)n1C)C(=O)Nc1nccs1,C09096085_decoy,CP3A4,Decoy,0 +CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Br,C09260578_decoy,CP3A4,Decoy,0 +C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O,C03317886_decoy,CP3A4,Decoy,0 +O=C(NCCc1ccccc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12,C09597631_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc(OC)c1O,C12418367_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1,C12888374_decoy,CP3A4,Decoy,0 +CC(=O)N1CCN(C(=O)C2(NC(=O)Nc3ccc(C(F)(F)F)cc3)CCCCC2)CC1,C13563201_decoy,CP3A4,Decoy,0 +Cc1c(NC(=O)CCC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C,C13942971_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)C1,C14347128_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c(C)c1,C15535755_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1O,C15722691_decoy,CP3A4,Decoy,0 +C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2,C16744487_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2ccnc2SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1C,C16759376_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nc(N)c2c3c(sc2n1)CCCC3)C(=O)N(C)[C@H]1CCS(=O)(=O)C1,C16800572_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc2c1CCCC2)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1,C21113587_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)ccc21,C21142360_decoy,CP3A4,Decoy,0 +CC[C@H]1CCc2sc(-c3nnc(SCC(=O)N4CCC(C(N)=O)CC4)n3C)cc2C1,C23947510_decoy,CP3A4,Decoy,0 +CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CCC[C@@H](C(N)=O)C4)n3C)cc2C1,C24143804_decoy,CP3A4,Decoy,0 +N#Cc1ccc(N2CCC(C(=O)NCC(=O)Nc3ccccc3Br)CC2)nc1,C12758382_decoy,CP3A4,Decoy,0 +CCn1c(C)nc2cc(C(=O)NNC(=O)COc3ccc(F)cc3Br)ccc21,C24811606_decoy,CP3A4,Decoy,0 +CCc1nc(C)c2c(C)c(C(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)sc2n1,C26262760_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)C[C@]23CSc4[nH]c(=O)sc4[C@H]2c2ccccc2OC3=O)cc1,C28295104_decoy,CP3A4,Decoy,0 +N#Cc1cc2c(nc1N1CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc34)CC1)CCCC2,C32104669_decoy,CP3A4,Decoy,0 +CCc1cccc2c(C3=CCN(C(=O)c4cc(S(=O)(=O)NC(C)C)cn4C)CC3)c[nH]c12,C32769378_decoy,CP3A4,Decoy,0 +CSCc1nc2sc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(C)c2c(=O)[nH]1,C23408399_decoy,CP3A4,Decoy,0 +CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O,C35056622_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@]4(O)C(C)=O)[C@H]3C[C@H](OC(C)=O)[C@@]2(O)C1,C35229637_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1,C35351356_decoy,CP3A4,Decoy,0 +O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc(N2CCCCC2)nc1,C25064491_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Br,C08598370_decoy,CP3A4,Decoy,0 +Cc1nc(SCc2cc3c(cc2Br)OCCO3)[nH]c(=O)c1CCC(=O)O,C13449638_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)cc1,C39877085_decoy,CP3A4,Decoy,0 +CC1=C2C(=O)N=C(CSC3=NN[C@@H](C)S3)N=C2S[C@H]1C(=O)Nc1ccc(C)cc1C,C39991629_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1CCCO1)[C@@H]1CCCCN1C(=O)c1csc(Nc2ccc(F)cc2)n1,C40388029_decoy,CP3A4,Decoy,0 +CSc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1,C40547778_decoy,CP3A4,Decoy,0 +CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c(C)c1,C46777956_decoy,CP3A4,Decoy,0 +Cc1nnc(NC(=O)c2cc(S(=O)(=O)NC3CCCC3)c(Cl)cc2Cl)s1,C47156488_decoy,CP3A4,Decoy,0 +O=C1CN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCN1,C49412378_decoy,CP3A4,Decoy,0 +O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccs1)N2,C20289169_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C/c2c(C)[nH]c3ccccc23)/C(=O)N=C2SC(SCCOc3ccccc3)=NN2/1,C41108449_decoy,CP3A4,Decoy,0 +Cc1c(NC(=O)CNC(=O)c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C,C17303404_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)c1C,C58166017_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c2ccccc12,C32409542_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC#N)cc3[C@@H]3C=CC[C@@H]32)c1OC,C36080555_decoy,CP3A4,Decoy,0 +C[C@@H]1Oc2ccc(NCC3=NC(=O)C4=C(c5ccccc5Cl)CSC4=N3)cc2NC1=O,C39936788_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN12)Nc1ccc(Cl)cc1F,C64703366_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)c(C)c1,C64742791_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4ccccc4C)=NC(=O)[C@H]32)ccc1O,C64773136_decoy,CP3A4,Decoy,0 +Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C(=O)N2CCCC2)S3)c(C)c1,C65021429_decoy,CP3A4,Decoy,0 +N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@H](c1ccccc1)S[C@@H]2c1ccccc1,C01789405_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1,C02188807_decoy,CP3A4,Decoy,0 +Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C)cc1C,C01058585_decoy,CP3A4,Decoy,0 +O=S(=O)(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C08637147_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc(=O)c3cc(Cl)ccc3o1)Nc1ccccc1N2,C00720715_decoy,CP3A4,Decoy,0 +COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1,C08898501_decoy,CP3A4,Decoy,0 +Cc1cccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c1C,C09196091_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1,C04793315_decoy,CP3A4,Decoy,0 +CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CC(C)(C)C3)s1,C09981505_decoy,CP3A4,Decoy,0 +Cc1nc(C2=C(N)N(C[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)CC2=O)sc1C,C12297137_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)s1,C03666907_decoy,CP3A4,Decoy,0 +O=C(CNC(=O)c1ccccc1Br)NC[C@H]1CC2c3ccccc3C1c1ccccc12,C12925862_decoy,CP3A4,Decoy,0 +O=C(NCc1ccccc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1,C13512893_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(C2CC2)nc2ccccc12,C01835319_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2,C13644252_decoy,CP3A4,Decoy,0 +CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)c1ccccc1,C14461328_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1,C14480638_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2,C14547010_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21,C14549284_decoy,CP3A4,Decoy,0 +CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@H]32)cc1,C14551929_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)SCCO1,C15678149_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(Br)cc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1,C15774371_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Cl)ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2,C18197737_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Cl)ccc1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2,C18197739_decoy,CP3A4,Decoy,0 +CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc21,C20179956_decoy,CP3A4,Decoy,0 +O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2,C20680767_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCc2ccccc21,C20701327_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC(C)C,C20884869_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1Br,C21232906_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1Br,C21241386_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1Br,C21260258_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)c2C#N)C1,C22741555_decoy,CP3A4,Decoy,0 +N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@H]2CCCC=C12,C02752129_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1,C30751248_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C(C)(C)C)C2,C33612864_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N3)cc1,C33810212_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N3)cc1,C33810642_decoy,CP3A4,Decoy,0 +COc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O,C36040318_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1,C08448719_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)[C@@H](c1cc2ccccc2c2ccccc12)N(C(=O)c1ccc(O)cc1)C(C)(C)C,C36586357_decoy,CP3A4,Decoy,0 +O=[P@@]1(Cc2ccccc2)NN2CCc3cc(-c4ccccc4O)c(Cc4ccccc4)cc3[C@@H]2CO1,C39463995_decoy,CP3A4,Decoy,0 +Cc1ccc(CN2C(=O)c3[nH]nc(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(Br)cc2)cc1,C39912349_decoy,CP3A4,Decoy,0 +C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCC5CCCCC5)CC[C@@]4(C)[C@@H]3CC[C@]21C,C43743565_decoy,CP3A4,Decoy,0 +O=C1N/C(=N\N=C\c2cc(Br)ccc2O)S[C@H]1Cc1cc(C(F)(F)F)ccc1Cl,C09272351_decoy,CP3A4,Decoy,0 +O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C58846971_decoy,CP3A4,Decoy,0 +O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C58847097_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1,C58847920_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc(I)ccc1Cl,C20138564_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)/C(=C2/C[C@H](c3cccc4ccccc34)Sc3ccccc3N2)C(=O)NC1=S,C49735126_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O,C53363002_decoy,CP3A4,Decoy,0 +COc1cc(C)ccc1S(=O)(=O)Oc1c(Br)cc(Br)c2cccnc12,C01810653_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1ccc2ccccc2c1,C02812781_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1OCCn1c([C@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21,C08786610_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(Sc3ccccc3)nc12,C02206805_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1,C02207498_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12,C02413059_decoy,CP3A4,Decoy,0 +CC(C)OCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(Cl)c1,C09281702_decoy,CP3A4,Decoy,0 +O=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1,C09295664_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)N(C)C2=S)cc1,C09295942_decoy,CP3A4,Decoy,0 +CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=S,C09322206_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl,C02286538_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCc2ccccc2C1,C01100035_decoy,CP3A4,Decoy,0 +Cc1sc2nc(SCC(=O)c3ccccc3Br)n(Cc3ccco3)c(=O)c2c1C,C02415331_decoy,CP3A4,Decoy,0 +Cc1nc(CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)n2-c2ccccc2C)cs1,C03026635_decoy,CP3A4,Decoy,0 +CCc1ccc(-n2c(=S)sc3c(=O)n(-c4ccc(C)cc4)c(SCc4cccnc4)nc32)cc1,C09474185_decoy,CP3A4,Decoy,0 +CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1,C09909988_decoy,CP3A4,Decoy,0 +COc1cccc2sc(N(Cc3ccco3)C(=O)c3ccccc3I)nc12,C10527315_decoy,CP3A4,Decoy,0 +Cc1ccsc1C(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1,C12133664_decoy,CP3A4,Decoy,0 +Cc1ccc(/N=C2\SCCCN2C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl,C12541854_decoy,CP3A4,Decoy,0 +O=C(c1ccc2ccccc2n1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C12775964_decoy,CP3A4,Decoy,0 +C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2cc(Br)ccc21,C12631344_decoy,CP3A4,Decoy,0 +Cc1nnc(SCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)n1-c1ccccc1,C09224349_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1,C13658535_decoy,CP3A4,Decoy,0 +Cc1nnc2n1-c1sc(CCc3ccc(-c4ccccn4)s3)cc1C(c1ccccc1Cl)=NC2,C13821444_decoy,CP3A4,Decoy,0 +O=C(c1cccc(F)c1)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1,C14996729_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cccs1)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1,C14999409_decoy,CP3A4,Decoy,0 +O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12,C15944826_decoy,CP3A4,Decoy,0 +CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1,C16758925_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3ccc(Br)s3)sc2c1,C20589623_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(SCc2cccnc2)nc2c(sc(=S)n2-c2ccccc2C)c1=O,C20644974_decoy,CP3A4,Decoy,0 +O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Br)c1ccccc1,C22497122_decoy,CP3A4,Decoy,0 +Cc1sc2nc(SCc3nccn3C(F)F)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1,C23029207_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(Sc3ccccc3)nc12,C33446173_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1,C33491614_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1Cc1ccccc1,C33590383_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1CCc1ccccc1,C33590385_decoy,CP3A4,Decoy,0 +CN(C)c1oc(-c2ccccc2Br)nc1S(=O)(=O)c1ccc(Br)cc1,C38588259_decoy,CP3A4,Decoy,0 +O=C1N=C(CSc2nccc(C(F)(F)F)n2)N=C2SCC(c3ccc(Br)cc3)=C12,C38748456_decoy,CP3A4,Decoy,0 +CCOC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@@H]3C2=O)cc1,C02068331_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(Br)cc2)c1,C39876804_decoy,CP3A4,Decoy,0 +Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4Br)C3)nc3ccccc32)c(C)c1,C40252663_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(OCCn2c([C@@H]3CC(=O)N(c4ccccc4Br)C3)nc3ccccc32)c1,C40252665_decoy,CP3A4,Decoy,0 +Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(Br)cc4)C3)nc3ccccc32)c(C)c1,C40256729_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2C(=O)[C@H](Br)[C@@]2(C)[C@H]3CC[C@H]2[C@@H](C)OC(C)=O)C1,C43757565_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1Br,C45894485_decoy,CP3A4,Decoy,0 +O=C1C(Cl)=CC(=N/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)C=C1Cl,C15357159_decoy,CP3A4,Decoy,0 +C[C@@H](Oc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C(=O)c1ccccc1,C13941089_decoy,CP3A4,Decoy,0 +Cc1ccsc1/C=C1\Oc2cc(OC(=O)[C@H](C)Oc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O,C41350033_decoy,CP3A4,Decoy,0 +Cn1cc(/C=C2\Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)c2ccccc21,C41437409_decoy,CP3A4,Decoy,0 +O=C1N=C(CN(Cc2cccs2)C(=O)C23CC4CC(CC(C4)C2)C3)N=C2S[C@@H]3CCCCC3=C12,C38952786_decoy,CP3A4,Decoy,0 +CCN(CC)P(=S)(c1ccc(N2CCOCC2)cc1)N(CC)CC,C03206855_decoy,CP3A4,Decoy,0 +O=C(CCC(=O)c1ccc2ccccc2c1)OCC(=O)c1ccc(F)cc1,C04680040_decoy,CP3A4,Decoy,0 +CCOc1cc(C=O)cc(Br)c1OCCOc1cccc(C)c1,C02877467_decoy,CP3A4,Decoy,0 +CCOC(=O)CC(=O)CSc1nc2c(C)c(C)ccc2cc1CC,C04849409_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H](c1ccccc1)[C@@H](C)C(OC(C)=O)(C(F)(F)F)C(F)(F)F,C01627544_decoy,CP3A4,Decoy,0 +CCCOP(=S)(OCCC)SCC(=O)N1CCCC[C@@H]1C,C02014851_decoy,CP3A4,Decoy,0 +CC[C@@H](C)c1ccccc1OC(=O)/C=C/c1ccc(OC)c(OC)c1,C00505073_decoy,CP3A4,Decoy,0 +CCCN(CCC)S(=O)(=O)c1cc(Cl)c(C)cc1OCC,C02884967_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2nc(CSC(=S)N3CCCC3)cs2)cc1OC,C06943886_decoy,CP3A4,Decoy,0 +CCc1ccc(C(=O)[C@H](C)OC(=O)/C=C/c2ccccc2OC)cc1,C07507698_decoy,CP3A4,Decoy,0 +CCOC(=O)Cc1csc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1,C07777951_decoy,CP3A4,Decoy,0 +CCCCS(=O)(=O)/C=C/[C@H]1[C@@H](S(=O)(=O)CCCC)[C@@H]2C=C[C@H]1C2,C15163045_decoy,CP3A4,Decoy,0 +C=CCn1c(COc2ccccc2)nnc1SCc1ccccc1C,C17072957_decoy,CP3A4,Decoy,0 +O=C(CCC(=O)c1ccccc1)OCC(=O)c1ccc2ccccc2c1,C20973237_decoy,CP3A4,Decoy,0 +CC(=O)c1c(C)cc(C)c(COC(=O)CCC(=O)c2ccc(F)cc2)c1C,C24964575_decoy,CP3A4,Decoy,0 +O=C(CCCCCCCCC(=O)[C@@H]1CCCCC1=O)[C@H]1CCCCC1=O,C25627909_decoy,CP3A4,Decoy,0 +CCOC(=O)C(=Cc1ccc(CBr)cc1)C(=O)OCC,C34511952_decoy,CP3A4,Decoy,0 +CCCCCc1ccc(C(=O)N(CCC(=O)OCC)[C@@H](C)CC)cc1,C34935017_decoy,CP3A4,Decoy,0 +CCCCC[C@H]1SC[C@H](C(=O)OC(C)C)N1C(=O)c1ccco1,C35119648_decoy,CP3A4,Decoy,0 +Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)C3CC3)cs2)c1C,C36107171_decoy,CP3A4,Decoy,0 +C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(F)cc1,C02232548_decoy,CP3A4,Decoy,0 +CCC(CC)N(CCOC)C(=O)c1ccc(OC)c(Br)c1,C38068480_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(C(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1,C38646648_decoy,CP3A4,Decoy,0 +CCCOC(=O)CCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S,C40938958_decoy,CP3A4,Decoy,0 +CCCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nc2ccc(SCCC)cc21,C43257796_decoy,CP3A4,Decoy,0 +CCOc1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)cc1,C44447691_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(OCCSCc2cccc(S(=O)(=O)N(C)C)c2)c1,C46587226_decoy,CP3A4,Decoy,0 +N#C[C@H](C(=O)CCCOCCc1ccccc1)c1nc2ccccc2s1,C48824409_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)CSc1nnc(SCC2CCCCC2)s1,C49773246_decoy,CP3A4,Decoy,0 +CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(OC)cc2)cc1,C53850479_decoy,CP3A4,Decoy,0 +C#CCCCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1,C52745537_decoy,CP3A4,Decoy,0 +C=CCn1c(SCCCOC)nc2scc(-c3cccs3)c2c1=O,C59121651_decoy,CP3A4,Decoy,0 +COc1cc(CCC(=O)N(C)c2ccc(C)cc2)ccc1OCC(F)(F)F,C60352056_decoy,CP3A4,Decoy,0 +CCN(CC)C(=S)SC[C@H]1CCCN(C(=O)OC(C)(C)C)C1,C60379259_decoy,CP3A4,Decoy,0 +C=CCn1c(SCCCc2ccccc2)nnc1-c1ccoc1C,C60384039_decoy,CP3A4,Decoy,0 +CCCCSc1nnc(SCC(=O)N(CC)CCCC)s1,C61363409_decoy,CP3A4,Decoy,0 +CCCC(CCC)S(=O)(=O)CC(=O)N(C)[C@@H](C)c1ccccc1,C63928231_decoy,CP3A4,Decoy,0 +CCCC(CCC)Sc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O,C63992472_decoy,CP3A4,Decoy,0 +COc1cccc(/C=C/C(=O)N(C)C(C2CC2)C2CC2)c1OC(F)F,C64974884_decoy,CP3A4,Decoy,0 +COc1ccc(CS(=O)(=O)Cc2csc(CCC(C)C)n2)cc1F,C65039819_decoy,CP3A4,Decoy,0 +FC(F)Oc1cccc(CO/N=C/c2ccccc2OC(F)F)c1,C65233500_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1CSCC(=O)N(Cc1ccccc1)Cc1ccccc1,C66276114_decoy,CP3A4,Decoy,0 +C=CCN(CC(F)(F)F)C(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1,C66292276_decoy,CP3A4,Decoy,0 +C=CCN(CC(F)(F)F)C(=O)CCCc1ncc(-c2ccccc2)o1,C66305434_decoy,CP3A4,Decoy,0 +CCCN(CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1,C66376311_decoy,CP3A4,Decoy,0 +CN(CCCC(=O)OC(C)(C)C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1,C66776764_decoy,CP3A4,Decoy,0 +CN(CCCC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1,C66777301_decoy,CP3A4,Decoy,0 +CCCCS[C@H](C)C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1,C66799233_decoy,CP3A4,Decoy,0 +CCOc1cc(CN(C)C(=O)[C@H]2C[C@H]2c2cccc(F)c2)ccc1OC(F)F,C67039221_decoy,CP3A4,Decoy,0 +C[C@H](Oc1cccc(C#N)c1)C(=O)N(C)CCCOc1ccccc1,C67480423_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)CC2=O)cc1,C08927295_decoy,CP3A4,Decoy,0 +O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(OC(=O)c2ccco2)cc1,C08927327_decoy,CP3A4,Decoy,0 +C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cccc(Cl)c21,C08957090_decoy,CP3A4,Decoy,0 +C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(S(C)(=O)=O)ccc21,C09506290_decoy,CP3A4,Decoy,0 +CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1,C10527038_decoy,CP3A4,Decoy,0 +O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1,C13134504_decoy,CP3A4,Decoy,0 +O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1,C01124222_decoy,CP3A4,Decoy,0 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+O=C(Nc1ccccc1Cl)c1ccc(C#CCCO)s1,C40232747_decoy,CP3A4,Decoy,0 +O=c1[nH]c2ccc([C@H](Br)CC3CCCC3)cc2[nH]1,C40282692_decoy,CP3A4,Decoy,0 +Cc1ccc(Oc2ccc(N)cc2C#N)c(Br)c1,C41021496_decoy,CP3A4,Decoy,0 +CC(C)OC(=O)c1c(Br)ccc(Br)c1N,C42581175_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H]1CNC(=O)Nc1ccccc1I,C43157691_decoy,CP3A4,Decoy,0 +Cc1ccsc1CNC(=O)Nc1ccc(F)c(F)c1F,C43231737_decoy,CP3A4,Decoy,0 +CC(C)Cc1c(-c2ccc(Br)s2)noc1N,C43375865_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(-n2nc(C)c(I)c2N)c1,C43665030_decoy,CP3A4,Decoy,0 +C=CCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl,C44846914_decoy,CP3A4,Decoy,0 +O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Br)c[nH]1,C47835591_decoy,CP3A4,Decoy,0 +CC(C)[C@H](C)NC(=O)Nc1ccc(Br)cc1F,C48469740_decoy,CP3A4,Decoy,0 +Cc1ccccc1SCc1nc(N)c2c(C)c(C)sc2n1,C48552789_decoy,CP3A4,Decoy,0 +COc1ccc2ccccc2c1-c1nc(C(C)C)sc1N,C50308940_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(SCc2nc(N)c3ccsc3n2)c1,C50837338_decoy,CP3A4,Decoy,0 +Nc1nc(Cc2cccc(Br)c2)nc2c1CCCC2,C50846825_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](Cl)c1cc2[nH]c(=O)[nH]c2cc1Br,C52095080_decoy,CP3A4,Decoy,0 +Cn1nc(-c2csc3ccccc23)c(-c2cccs2)c1N,C52901648_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[C@@](CO)(NC(=O)c2cc3c(s2)CCCC3)C1,C53104185_decoy,CP3A4,Decoy,0 +Cc1nn(C2CCC(C(C)C)CC2)c(N)c1Br,C54556869_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1-c1nc(N)sc1Br,C57628628_decoy,CP3A4,Decoy,0 +[H]/N=C1\C=C(C)[C@H](c2nc3ccc(Br)cc3[nH]2)S1,C37441116_decoy,CP3A4,Decoy,0 +Cc1cc([C@@H](O)c2ccc(F)cc2)cc2c1NC(=O)C2(C)C,C58096327_decoy,CP3A4,Decoy,0 +CSc1ccc(N[C@@H]2C(=O)Nc3c(C)ccc(C)c32)cc1,C42106433_decoy,CP3A4,Decoy,0 +CSc1cccc(N[C@H]2C(=O)Nc3c(Cl)cccc32)c1,C42109062_decoy,CP3A4,Decoy,0 +Nc1onc(-c2ccccc2)c1-c1ccccc1Br,C55334371_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C)C(=O)c2cc(N)c(F)cc2Br)cc1,C61089205_decoy,CP3A4,Decoy,0 +O=C1Cc2cc(N[C@@H]3CCCc4sccc43)c(Cl)cc2N1,C61326675_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(SCc3cc(C#CCO)cs3)[nH]c2c1,C61440695_decoy,CP3A4,Decoy,0 +Cc1ccc(O)c(C2=NCCNC(C(F)(F)C(F)F)=C2)c1,C13126899_decoy,CP3A4,Decoy,0 +Nc1ccc(-c2nc3cc(Br)cc(F)c3o2)cc1,C62563327_decoy,CP3A4,Decoy,0 +NC(=S)c1ccc(-n2ccc(C(F)(F)F)n2)c(Cl)c1,C62796326_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(N[C@@H]2C(=O)Nc3cccc(Br)c32)c1,C19953003_decoy,CP3A4,Decoy,0 +CCc1ccccc1N[C@@H]1C(=O)Nc2cccc(Br)c21,C19956770_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(C)c1Sc1ccccc1N,C03270841_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2,C13645304_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@H]3C=CC[C@H]32)cc1O,C14457177_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2Nc3ccc(O)cc3[C@H]3C=CC[C@H]32)cc1,C14480427_decoy,CP3A4,Decoy,0 +Oc1ccc2c(c1)OC[C@@H]2Nc1cc(Cl)cc(Cl)c1,C19911033_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]23)c1O,C20694191_decoy,CP3A4,Decoy,0 +COC(=O)c1cc(I)c(C(C)C)cc1N,C21993495_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C34303692_decoy,CP3A4,Decoy,0 +Nc1ccc2c(c1)O[C@@H](c1c(Cl)cccc1Cl)CC2=O,C36142568_decoy,CP3A4,Decoy,0 +CC1CCC(NC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)CC1,C13833786_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cn3cc(N)cc(Br)c3n2)cc1,C36243675_decoy,CP3A4,Decoy,0 +Nc1cnc2ccc(Br)cc2c1OCC(F)(F)F,C36813229_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc(Cl)c1F)c1ccc2c(c1)CCCN2,C36895801_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)Nc2cc3c(cc2Cl)NC(=O)C3)cc1,C36990770_decoy,CP3A4,Decoy,0 +Cc1ccc(NCc2ccc(Br)o2)c(C)c1O,C37130382_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(CSc3c(N)cccc3Cl)cn2c1,C37203939_decoy,CP3A4,Decoy,0 +Nc1cc(-c2cccs2)nn1-c1ccc(Br)cc1,C37291321_decoy,CP3A4,Decoy,0 +O[C@@H]1COC[C@@H]1Nc1c(Cl)cc(Br)cc1Cl,C37885386_decoy,CP3A4,Decoy,0 +CC(C)C1=CC([NH+]2CCN(C)CC2)=CC2=c3ccccc3=[NH+][C@@H]12,C38966139_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1C[C@](C)(O)[C@H]2O,C39941863_decoy,CP3A4,Decoy,0 +O=C1CCc2cc([C@H](O)c3cccc(Cl)c3Cl)ccc2N1,C40248603_decoy,CP3A4,Decoy,0 +Nc1ccc2nc(Sc3ccc(C(F)(F)F)cn3)sc2c1,C42143794_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H]1CNC(=O)Nc1ccccc1I,C43157690_decoy,CP3A4,Decoy,0 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+C[C@@H]1C[C@H]1[C@H](Cl)c1cc2[nH]c(=O)[nH]c2cc1Br,C52095097_decoy,CP3A4,Decoy,0 +O=c1[nH]c2cc(Br)c([C@H](Cl)C3CCC3)cc2[nH]1,C52095101_decoy,CP3A4,Decoy,0 +Nc1cccnc1Oc1ccc2ccccc2c1Br,C38077555_decoy,CP3A4,Decoy,0 +CCc1cc([C@H](O)c2ccccc2)c2c(c1)C(C)(C)C(=O)N2,C58094067_decoy,CP3A4,Decoy,0 +Cc1cc([C@H](O)c2ccc(F)cc2)cc2c1NC(=O)C2(C)C,C58096322_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(N[C@H]2C(=O)Nc3c(Br)cccc32)c1,C42080151_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)NC(=O)[C@@H]2Nc1ccc(Cl)cc1F,C42100944_decoy,CP3A4,Decoy,0 +CSc1ccc(N[C@H]2C(=O)Nc3c(Cl)cccc32)cc1,C42109148_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N[C@H]2C(=O)Nc3c(F)ccc(Cl)c32)c1,C42118697_decoy,CP3A4,Decoy,0 +C[C@H](N[C@H]1C(=O)Nc2cccc(Br)c21)c1ccccc1,C19878684_decoy,CP3A4,Decoy,0 +Cc1sc(/N=C/c2cccc3ccccc23)c(C(N)=O)c1C,C59466457_decoy,CP3A4,Decoy,0 +CC[C@@H](Br)C(=O)Nc1cccc2c(O)cccc12,C61489620_decoy,CP3A4,Decoy,0 +Cc1c(Cl)c([C@@H](O)C2CCCCC2)cc2c1NC(=O)[C@H]2C,C58111296_decoy,CP3A4,Decoy,0 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+CCOC(=O)Nc1ccc2c(CS/C(N)=[NH+]/C(C)C)cc(=O)oc2c1,C18992682_decoy,CP3A4,Decoy,0 +C[C@@H](OCCCNC(=O)NNC(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1,C63127327_decoy,CP3A4,Decoy,0 +C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CCCN1NNc2ccccc2C1=O,C63295334_decoy,CP3A4,Decoy,0 +COc1ccccc1CCNC(=O)[C@H]1N[C@@H](CC2=c3ccccc3=[NH+]C2)NO1,C63296368_decoy,CP3A4,Decoy,0 +COc1cccc2c1=C[C@H](C(=O)NCCC(=O)N[C@H]1Nc3ccccc3S1)[NH+]=2,C63303063_decoy,CP3A4,Decoy,0 +CC(=O)NNC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1Cl,C63908437_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@H]1CC[C@@H](C)[NH+](CC(=O)N[C@H]2CCCCNC2=O)C1,C64995135_decoy,CP3A4,Decoy,0 +Cc1cc(=O)[nH]c(NCC[NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)n1,C65421644_decoy,CP3A4,Decoy,0 +CCc1[nH]c(C)c([C@H]2[C@H](c3ccccc3)NCN2CCSc2nc[nH]n2)[nH+]1,C65453410_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@@H](C)CNC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)CC1,C65479621_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@H]1CC[C@H](C)[NH+](CC(=O)NC(=O)NC2CCCC2)C1,C66473855_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)ccc1C(=O)NC(C)C,C66718577_decoy,CP3A4,Decoy,0 +CCCCNC(=O)NC(=O)[C@H](C)[NH+](C)CC(=O)Nc1cc(F)cc(F)c1,C66836546_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH+]c(CNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)cn2c1,C67233955_decoy,CP3A4,Decoy,0 +CS(=O)(=O)NCCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1,C67457157_decoy,CP3A4,Decoy,0 +CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1,C43302625_decoy,CP3A4,Decoy,0 +CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(-c3csnn3)cc2)CC1,C67549685_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1,C08412484_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F,C02191803_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc3c([nH]c4ccccc43)c2=O)cc1,C08923370_decoy,CP3A4,Decoy,0 +Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3Cl)nc(SCC(=O)Nc3ccccc3)c1C2,C09116216_decoy,CP3A4,Decoy,0 +CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(C)C)c(Br)c1,C10002794_decoy,CP3A4,Decoy,0 +Cc1cccc(OP(=O)(N/N=C/c2cc(Br)ccc2O)Oc2cccc(C)c2C)c1C,C12462921_decoy,CP3A4,Decoy,0 +CSc1ccc(C(c2c(C)nn(C)c2Nc2ccccc2)c2c(C)nn(C)c2Nc2ccccc2)cc1,C12623942_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)c1,C14470790_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccccc4C(=O)NCC(C)C)C(=O)N23)cc1,C15958439_decoy,CP3A4,Decoy,0 +Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1,C16284522_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1,C20157897_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1ccc(Br)cc1,C20605317_decoy,CP3A4,Decoy,0 +CCOc1cccc2c1O[C@@]1(C)[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2NC(=S)N1c1ccc(Cl)cc1,C02962946_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC,C20684020_decoy,CP3A4,Decoy,0 +CSc1cccc(NC(=S)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2N2CCCCCC2)c1,C20725575_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1OCC,C20884061_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCC(C)C)cc2)ccc1OC(C)C,C21236857_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)ccc1OC(C)C,C21253769_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1,C21255229_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(I)c1O,C30937442_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc(Br)cc4)ccc3o2)cc1C,C32116734_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(N2C(=O)/C(=C\NNC(=O)c3sc4ccccc4c3Cl)c3ccccc3C2=O)cc1,C33014797_decoy,CP3A4,Decoy,0 +O=C(C[C@@H]1S/C(=N\c2ccccc2Cl)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1,C08771304_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCC[C@@H]1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1,C33762669_decoy,CP3A4,Decoy,0 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+CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c(OC)ccc4ccccc24)N3)cc1,C36557965_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2cccc(O)c2)o1,C36602512_decoy,CP3A4,Decoy,0 +N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccccc1Br,C38678966_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1C2=C(CCCC2)S[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,C39152181_decoy,CP3A4,Decoy,0 +CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Br)c3)o2)sc2c1CCCC2,C39992755_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)oc2ccc(Br)cc12,C40037935_decoy,CP3A4,Decoy,0 +CCCCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccc(F)cc2)c1,C39914849_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Br)c(C)c32)cc1,C40815262_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1O,C40951279_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1,C09846897_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1,C08387669_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(OC(F)(F)F)cc1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F,C01802743_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2nnc(N/N=C/c3ccccc3OCc3cccc(Br)c3)[nH]2)cc1,C59019320_decoy,CP3A4,Decoy,0 +C=CCn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21,C13139109_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(-c3ccc(NC(=O)C[C@H]4S/C(=N\c5ccc(Cl)cc5)NC4=O)cc3)sc2c1,C03435795_decoy,CP3A4,Decoy,0 +CCCOc1ccc(C(=O)NC(=S)/N=c2\[nH]c(-c3ccc(OC)c(Br)c3)cs2)cc1,C02605632_decoy,CP3A4,Decoy,0 +CCC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccc(C)cc3=C2c2ccccc2)C[C@@H]1c1ccc([NH+](CC)CC)cc1,C64365254_decoy,CP3A4,Decoy,0 +Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)c(=O)n(-c2ccccc2)n1C,C01124688_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1,C01419009_decoy,CP3A4,Decoy,0 +CCOc1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2OC)cc(OCC)c1OCC,C08788780_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(SC)cc3)n2-c2ccccc2)cc1OC,C01794006_decoy,CP3A4,Decoy,0 +COC(=O)c1sc(NC(=O)COc2c(-c3ccc(C(C)(C)C)cc3)oc3cc(C)ccc3c2=O)nc1C,C01908277_decoy,CP3A4,Decoy,0 +CCCCc1cc(=O)oc2cc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)c(Cl)cc12,C09034013_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)[C@H](C)Oc2coc(CN3CCCc4ccccc43)cc2=O)sc2c1CCC2,C09286439_decoy,CP3A4,Decoy,0 +COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1OC,C01826887_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(SC)cc3)n2-c2ccc(OC)cc2)cc1,C02356450_decoy,CP3A4,Decoy,0 +CC(C)OC(=O)c1c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)sc2c1CCCC2,C09775332_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1,C09841622_decoy,CP3A4,Decoy,0 +CCOC(=O)N1CCc2c(sc(/N=C/c3ccc(N(C)C)cc3)c2C(=O)Nc2ccc(OCC)cc2)C1,C09907631_decoy,CP3A4,Decoy,0 +Cc1ccc(SC[C@@H](C)Cn2c(N3CCN(c4ccccc4F)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,C10249453_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccco3)c3nc4ccccc4s3)cc2)cc1,C10527053_decoy,CP3A4,Decoy,0 +CCCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc12,C11866693_decoy,CP3A4,Decoy,0 +COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C2=O)cc1,C12285250_decoy,CP3A4,Decoy,0 +CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3)nnc2-c2ccc(Cl)cc2)cc1,C01818061_decoy,CP3A4,Decoy,0 +Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2C)c1,C12483873_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)sc(C)c1C,C13117875_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)nc1C,C02360843_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N(Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1,C19973193_decoy,CP3A4,Decoy,0 +Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N(Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2cc1C,C19973230_decoy,CP3A4,Decoy,0 +Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N(Cc3ccco3)Cc3cccs3)c(=O)[nH]c2cc1C,C19973244_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3cccnc3)cc2c1,C20082427_decoy,CP3A4,Decoy,0 +COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1ccc(F)cc1,C20083186_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1,C20234621_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc2c(c1C)c(=O)n(Cc1cc(C)ccc1C)c(=O)n2CC(=O)Nc1ccc(C)cc1,C34776218_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCc3cccs3)[C@@H]2C1,C35894781_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1,C36005239_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@H](c1c(OC)ccc2ccccc12)N(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1,C36491045_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(Cc2ccc(C)o2)C(=O)CCl)c1,C36599939_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)NC(C)(C)C)c2c(Cl)cccc2Cl)o1,C36603102_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)sc2c1CC[C@@H](C)C2,C36633029_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2c1c(C(C)(C)C)nn2C(C)(C)C,C37427909_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,C12526684_decoy,CP3A4,Decoy,0 +CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Cl)cc1,C08614118_decoy,CP3A4,Decoy,0 +CN(C)c1cccc([C@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccc(S(C)(=O)=O)cc2)c1,C39196136_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2,C40987545_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C,C43506281_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C01375266_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C01375278_decoy,CP3A4,Decoy,0 +Cc1ccc(Cc2nnc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](c5ccccc5)CC4=O)c3)s2)cc1,C01421301_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C/c2cc(Cl)c(OCCOc3ccccc3C)c(OC)c2)/C(=O)N=C2SC(CCCC)=NN2/1,C08915990_decoy,CP3A4,Decoy,0 +Cc1cc(SCCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1NC(=O)c1ccccc1,C57318330_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N(Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c2c1,C57530954_decoy,CP3A4,Decoy,0 +Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccc(Cl)cc3)Cc3ccco3)c(=O)[nH]c2cc1C,C57608791_decoy,CP3A4,Decoy,0 +Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4)ccc3OC(=O)COc3ccccc3)oc2cc1C,C59364384_decoy,CP3A4,Decoy,0 +CC[C@H](C)OC(=O)[C@@H]1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(O)c1,C13403306_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C/c2ccc(OCCOc3ccc(Cl)c(C)c3)c(OC)c2)/C(=O)N=C2SC(CC(C)C)=NN2/1,C27549886_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@H](C)C3)cc1,C15945896_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3cccc4ccccc34)cc2)CC1,C08442676_decoy,CP3A4,Decoy,0 +Cc1c(NC(=O)C[NH+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C,C09388376_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(=O)Nc1ccc(F)c(F)c1F,C09493643_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)[NH+]2CCOCC2)o1,C09467963_decoy,CP3A4,Decoy,0 +CC(C)C[NH+]1CCC(CNC(=O)c2cc(NC(=O)[C@H]3CCCO3)c3c(c2)nc(C2CCC2)n3C)CC1,C11788016_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21,C12497424_decoy,CP3A4,Decoy,0 +COc1cc2c(c(OC)c1OC)-c1ccc(NCC[NH+]3CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2,C12655760_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(Cl)cc1,C12710011_decoy,CP3A4,Decoy,0 +[NH2+]=C(NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1cccnc1,C01040677_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC2CCCCC2)c(C)n2cnn(CC(=O)NCCC[NH+]3C[C@H](C)C[C@H](C)C3)c(=O)c12,C20388310_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCCNC(=O)c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)C1CCCCC1,C20618100_decoy,CP3A4,Decoy,0 +Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1,C22616351_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)N3CC[NH+](C)CC3)ccc21,C22735157_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1,C31056974_decoy,CP3A4,Decoy,0 +Cc1cccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[NH+]4CCCC[C@H]4C)cc3)s2)c1,C33031859_decoy,CP3A4,Decoy,0 +C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Br)cc2)c1,C33032938_decoy,CP3A4,Decoy,0 +O=C(NCC[NH+]1CCCCCC1)c1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1,C33114331_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1,C22809388_decoy,CP3A4,Decoy,0 +COc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccs3)c3[nH+]c4ccccc4nc32)c1OC,C02398073_decoy,CP3A4,Decoy,0 +O=C(COc1cccc([N+](=O)[O-])c1)NNC1=c2cc(Br)cc(Br)c2=[NH+]C1=O,C20074122_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)Nc4ccccc4C(=O)NCc4ccco4)C3)n2)cc1,C38890345_decoy,CP3A4,Decoy,0 +Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(N2CC[NH2+][C@H](S(=O)(=O)Oc3ccccc3)C2)c1,C39481022_decoy,CP3A4,Decoy,0 +CCOc1ccccc1CCNC(=O)[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39652763_decoy,CP3A4,Decoy,0 +O=C(NCCSCc1ccccc1)[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39658648_decoy,CP3A4,Decoy,0 +COc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3csc4ccccc34)CC23CC[NH2+]CC3)c(OC)c1,C39661628_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2C[C@H](C(=O)NC[C@@H](C)Oc3ccc(OC)cc3)C3(CC[NH2+]CC3)C2)cc1,C39665605_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2C[C@@H](C(=O)NC[C@H](C)Oc3ccc(OC)cc3)C3(CC[NH2+]CC3)C2)cc1,C39665612_decoy,CP3A4,Decoy,0 +COc1ccc(O[C@@H](C)CNC(=O)[C@H]2CN(C(=O)c3c(F)ccc(C)c3F)CC23CC[NH2+]CC3)cc1,C39665698_decoy,CP3A4,Decoy,0 +COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2CN(C(=O)c3csc4ccccc34)CC23CC[NH2+]CC3)cc1,C39665804_decoy,CP3A4,Decoy,0 +COc1cc(OC)cc(C(=O)N2C[C@@H](C(=O)NC[C@H](C)Oc3ccc(C)cc3)C3(CC[NH2+]CC3)C2)c1,C39665928_decoy,CP3A4,Decoy,0 +COc1cc(OC)cc(C(=O)N2C[C@H](C(=O)NC[C@@H](C)Oc3ccc(C)cc3)C3(CC[NH2+]CC3)C2)c1,C39665931_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N2C[C@H](C(=O)NC[C@@H](C)Oc3ccc(C)cc3)C3(CC[NH2+]CC3)C2)c(OC)c1,C39666007_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(C(=O)N2C[C@@H](C(=O)NC[C@H](C)Oc3ccc(C)cc3)C3(CC[NH2+]CC3)C2)c1,C39666208_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@@H](C(=O)NCC3(N4CCOCC4)CCCCC3)C3(CC[NH2+]CC3)C2)cc1F,C39672873_decoy,CP3A4,Decoy,0 +CC1=C([C@@H](C)NC(=O)[C@@H]2CN(C(=O)c3ccc(-c4ccccc4F)o3)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674508_decoy,CP3A4,Decoy,0 +CC1=C([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3ccc(-c4ccccc4F)o3)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674510_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2C[C@H](C(=O)N[C@@H](C)CCc3ccc(OC)cc3)C3(CC[NH2+]CC3)C2)cc1,C39675238_decoy,CP3A4,Decoy,0 +COc1ccc(CC[C@@H](C)NC(=O)[C@H]2CN(C(=O)c3ccc(OC)cc3OC)CC23CC[NH2+]CC3)cc1,C39675253_decoy,CP3A4,Decoy,0 +COc1ccc(CC[C@@H](C)NC(=O)[C@H]2CN(C(=O)c3csc(Cl)c3OC)CC23CC[NH2+]CC3)cc1,C39675409_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(CNC(=O)[C@H]2CN(C(=O)c3csc4ccccc34)CC23CC[NH2+]CC3)c1,C39683082_decoy,CP3A4,Decoy,0 +Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(=O)N[C@@H](C)C(C)(C)C)C2(CC[NH2+]CC2)C1,C39684472_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+]3CCCC3)cc21,C49504547_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1N1CCCC1=O,C49508637_decoy,CP3A4,Decoy,0 +COc1ccc(/C(C)=N/NC(=[NH2+])S[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1Br,C59489364_decoy,CP3A4,Decoy,0 +COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2CC2=c3ccccc3=[NH+]C2)C(=O)Nc2ccc(Cl)cc21,C63383754_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCN1C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC1=O)C[NH+]=2,C63393534_decoy,CP3A4,Decoy,0 +C[C@@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1)C(=O)Nc1ccc(N(C)C)cc1,C63403983_decoy,CP3A4,Decoy,0 +COC(=O)CC1=NN([C@@H]2Nc3ccccc3S2)C(=O)/C1=C(/C)NCCC1=c2cc(OC)ccc2=[NH+]C1,C63110565_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1,C63694457_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCNC(=O)[C@@H]1CCCN([C@@H]3Nn4c(nc5c(c4=O)CCCC5)S3)C1)C[NH+]=2,C63743226_decoy,CP3A4,Decoy,0 +O=CC1=CCC[C@@H]2CC[C@H]1[NH2+]2,C05134512_decoy,CP3A4,Decoy,0 +C[C@@H]1C[NH2+]C[C@H](C)N1C#N,C15446045_decoy,CP3A4,Decoy,0 +OC[C@H]1CCC[NH+]2CCCC[C@H]12,C00031166_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](O)CC[NH2+]1,C00033576_decoy,CP3A4,Decoy,0 +CC[NH+]1[C@@H]2CC[C@H]1CC(O)C2,C00336723_decoy,CP3A4,Decoy,0 +C[C@@H]1C[NH2+]C[C@H](C)O1,C00388171_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](O)[C@@H](C)[NH+](C)C1,C02570293_decoy,CP3A4,Decoy,0 +O=S1(=O)CC[C@@H]([NH2+]C2CC2)C1,C04206259_decoy,CP3A4,Decoy,0 +OC[C@H]1CC[NH2+]C1,C04992749_decoy,CP3A4,Decoy,0 +C[C@@H]1C[NH2+][C@H]2CCC[C@@H]2O1,C18504277_decoy,CP3A4,Decoy,0 +C[C@@H]1C[NH2+]C[C@@H](C)N1C1CC1,C19801200_decoy,CP3A4,Decoy,0 +CC1=NCC[NH2+][C@H](C)C1,C19911592_decoy,CP3A4,Decoy,0 +C1N[C@H]2C[NH2+]C[C@H]12,C23473079_decoy,CP3A4,Decoy,0 +C[NH+]1CC(O)C1,C34161146_decoy,CP3A4,Decoy,0 +C1=C[C@H]2NCCC[NH+]2CCC1,C34454393_decoy,CP3A4,Decoy,0 +CC1(C)CSC(NC2CC2)=[NH+]1,C35287146_decoy,CP3A4,Decoy,0 +CC[C@H]1CSC(NC)=[NH+]1,C35294234_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[NH+]1[C@@H]1CCC[C@@H]1O,C37911911_decoy,CP3A4,Decoy,0 +O=N/C=C1/C=[NH+]C=CN1,C17423937_decoy,CP3A4,Decoy,0 +C[C@@H]1C=CC=[NH+]/C1=N\O,C39050902_decoy,CP3A4,Decoy,0 +C1=N[C@H]2CNC=[NH+]C2=C1,C39052800_decoy,CP3A4,Decoy,0 +C1C[NH+]2CC3(CC3)N[C@@H]12,C39073780_decoy,CP3A4,Decoy,0 +C[NH+]1CCC2(CC1)CN2,C39077497_decoy,CP3A4,Decoy,0 +NC1=[NH+]CC[C@@H]1Br,C39088983_decoy,CP3A4,Decoy,0 +C1C[C@]2(CCC3(CC3)C2)N[NH2+]1,C39133774_decoy,CP3A4,Decoy,0 +C/C=C\[C@H]1COCC(C)(C)[NH2+]1,C39136780_decoy,CP3A4,Decoy,0 +C[NH2+][C@@H](C)C1=C[C@H]2C=CC=CC2=N1,C39937241_decoy,CP3A4,Decoy,0 +CSC1=[NH+][C@H](C)CN1,C38892399_decoy,CP3A4,Decoy,0 +O[C@H]1CCCC[C@@]12[NH2+]CCS2,C43827799_decoy,CP3A4,Decoy,0 +C[C@H]1CC[C@@H](O)[C@H]([NH+](C)C)C1,C44122156_decoy,CP3A4,Decoy,0 +Nc1cccc2c1=[NH+]CC=2,C44710224_decoy,CP3A4,Decoy,0 +c1nc2n[nH+]cc2c2[nH]occ12,C45814167_decoy,CP3A4,Decoy,0 +C[NH2+]C[C@@H]1CCC=CO1,C50267080_decoy,CP3A4,Decoy,0 +CC1(C)[NH2+]CC[C@H]1[C@@H]1CCOC1,C51954760_decoy,CP3A4,Decoy,0 +C1C[C@@H](C2CCOCC2)C[NH2+]1,C52179806_decoy,CP3A4,Decoy,0 +C[C@@H]1CSC(N[C@@H]2C[C@H]2C)=[NH+]1,C52294006_decoy,CP3A4,Decoy,0 +N#C/[NH+]=C1/NCCS1,C14982514_decoy,CP3A4,Decoy,0 +C[NH+]1CCCC[C@H]1CNC#N,C52832885_decoy,CP3A4,Decoy,0 +NC1=[NH+]CCCC1,C12363336_decoy,CP3A4,Decoy,0 +Cn1nnnc1SC1C[NH2+]C1,C54931771_decoy,CP3A4,Decoy,0 +CC[C@@H]1CN[C@H](C)C[NH2+]1,C56960484_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH3+],C36907423_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[NH+]1N,C39118036_decoy,CP3A4,Decoy,0 +C1C[C@@H]([NH+]2C[C@@H]3CC[C@H]2C3)CN1,C51783277_decoy,CP3A4,Decoy,0 +CC[C@@]1(O)CC[NH+](C2CC2)C1,C61988411_decoy,CP3A4,Decoy,0 +CC(=[NH2+])N(C)C,C62987097_decoy,CP3A4,Decoy,0 +c1nc2no[nH]c-2[nH+]1,C40175433_decoy,CP3A4,Decoy,0 +O=C([O-])C1[NH+]=c2ccccc2=[NH+]1,C39698340_decoy,CP3A4,Decoy,0 +C1CC2=C(C[NH2+]1)[C@@H](C1CC1)N=N2,C65536919_decoy,CP3A4,Decoy,0 +O=Cc1nc2c(s1)C[NH2+]CC2,C66347482_decoy,CP3A4,Decoy,0 +C=CC[C@@]1(C2=C(C)C(=O)c3ccccc32)CCCS1,C01638677_decoy,CP3A4,Decoy,0 +Cc1ccc(/N=C/c2ccccc2Br)cc1,C03106549_decoy,CP3A4,Decoy,0 +CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]3CCC(=O)C=C3CC[C@H]21,C06168378_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1,C06338065_decoy,CP3A4,Decoy,0 +Cc1ccsc1/C=C/C(=O)c1ccc(Cl)s1,C07741661_decoy,CP3A4,Decoy,0 +C1=C(c2ccccc2)C(c2ccccc2)(c2ccccc2)OC1,C01712939_decoy,CP3A4,Decoy,0 +Fc1ccc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)cc1,C08783017_decoy,CP3A4,Decoy,0 +Cc1cc2nc(Cl)c(CCCl)cc2cc1Cl,C11985679_decoy,CP3A4,Decoy,0 +Cl[C@@H]1CCC[C@H]1Sc1nc2ccccc2s1,C15079737_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2C[C@@H]2C(=O)c2ccc(F)c(C)c2)cc1,C16739335_decoy,CP3A4,Decoy,0 +Cc1cccc([C@H]2C[C@@H]2C(=O)c2ccc(F)c(C)c2)c1,C16745363_decoy,CP3A4,Decoy,0 +Ic1ccc(OC2CCCC2)cc1,C34537805_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H]1C(=O)c1ccc(I)cc1,C34976620_decoy,CP3A4,Decoy,0 +N#Cc1ccc(Sc2ccc(Br)cc2)cc1,C36961452_decoy,CP3A4,Decoy,0 +CC(C)N(C)c1cc(Br)ccc1CCl,C36985551_decoy,CP3A4,Decoy,0 +N#C[C@H]1CCCC[C@H]1Sc1ccc(Br)cc1,C37156647_decoy,CP3A4,Decoy,0 +N#C[C@@H]1CCC[C@@H]1Sc1ccc(Br)cc1,C37156701_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(C(F)(F)F)cc(Br)c2c1,C38537269_decoy,CP3A4,Decoy,0 +C[C@@H]1C(=O)C[C@@H](c2ccccc2)S[C@H]1c1ccccc1,C33945310_decoy,CP3A4,Decoy,0 +CS[C@H]1CCC[C@]2(CCC[C@H](Cl)C2)N1SC,C39522230_decoy,CP3A4,Decoy,0 +COc1cc(F)c([C@@H](Cl)c2cccs2)c(F)c1,C40265183_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](Cl)c2ccc3c(c2)C[C@H](C)O3)s1,C40275822_decoy,CP3A4,Decoy,0 +COc1cc(F)c([C@@H](Br)[C@H]2C[C@H]2C)c(F)c1,C40278333_decoy,CP3A4,Decoy,0 +Br[C@@H](c1ccco1)c1csc2ccccc12,C40285283_decoy,CP3A4,Decoy,0 +ClCCc1csc(-c2ccc(Br)cc2)n1,C41516459_decoy,CP3A4,Decoy,0 +Fc1cc(Br)ccc1CSc1nccs1,C42374123_decoy,CP3A4,Decoy,0 +Cc1ccsc1C(=O)c1cc(F)ccc1Br,C42728571_decoy,CP3A4,Decoy,0 +Cc1cc(F)cc(C(=O)c2cccc(Br)c2)c1,C43210181_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCC[C@H]1OCc1cc(Br)cs1,C43687560_decoy,CP3A4,Decoy,0 +CC/C(C#N)=C(\Cl)c1ccc(Br)cc1C,C44273037_decoy,CP3A4,Decoy,0 +Cc1cc(N2CCc3sccc3C2)ccc1CCl,C50584596_decoy,CP3A4,Decoy,0 +Cl[C@@H](c1ccc(Br)s1)[C@H]1CCCCO1,C50972733_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](Br)[C@@H]2CCCCO2)c(C)c1,C50972878_decoy,CP3A4,Decoy,0 +C[C@H]1CC[C@@H](Br)[C@H](CC2CCOCC2)C1,C52175376_decoy,CP3A4,Decoy,0 +Cc1ccc(/C(Cl)=C(/C#N)c2cccs2)cc1C,C52901798_decoy,CP3A4,Decoy,0 +Br[C@H]1c2ccccc2CC[C@@H]1C[C@@H]1CCCO1,C53339113_decoy,CP3A4,Decoy,0 +O=C(Cc1cc(Br)cs1)C1CCCCC1,C53765911_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1sc(Br)nc1C,C57555992_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccccc1)c1ccc(F)c(Br)c1,C25889890_decoy,CP3A4,Decoy,0 +Brc1ccc(SCC2CCCC2)nc1,C58519095_decoy,CP3A4,Decoy,0 +Cc1cccc(/N=C/c2ccc(Br)cc2)c1,C03160570_decoy,CP3A4,Decoy,0 +Fc1cc(F)c2c(Cl)cc(C(F)(F)F)nc2c1F,C61121859_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](Cl)c2cccc3cccnc23)s1,C61417472_decoy,CP3A4,Decoy,0 +Cc1ccoc1[C@H](Br)Cc1ccccc1F,C62168295_decoy,CP3A4,Decoy,0 +Cc1ccoc1[C@@H](Br)Cc1ccccc1F,C62168298_decoy,CP3A4,Decoy,0 +Cc1ccc(C[C@@H](Br)c2occc2C)cc1,C62168549_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(C[C@H](Br)[C@H]2CCOC2)c1,C62168821_decoy,CP3A4,Decoy,0 +Cc1cc(C)c([C@@H](Br)c2cscn2)c(C)c1,C62361037_decoy,CP3A4,Decoy,0 +CC(C)[C@H](Br)Cc1nc2ccccc2s1,C63045796_decoy,CP3A4,Decoy,0 +Cc1cc(/C(Cl)=C(/C#N)c2cccs2)ccc1F,C63057646_decoy,CP3A4,Decoy,0 +CN1C(=O)N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F,C04162520_decoy,CP3A4,Decoy,0 +CCn1c2ccccc2c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc21,C00664115_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1,C04292576_decoy,CP3A4,Decoy,0 +Cc1ccc(C)n1-c1sc2c(c1C(=O)NNC(=O)c1ccccc1)CCCC2,C01027678_decoy,CP3A4,Decoy,0 +O=C1c2ccccc2[C@@]2(O)N(c3ccccc3)C(=S)N(c3ccccc3)[C@@]12O,C00708862_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1,C04657998_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br,C00857688_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1,C04698065_decoy,CP3A4,Decoy,0 +COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1O,C05681969_decoy,CP3A4,Decoy,0 +CCCCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21,C09871532_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1c(Cl)cccc1Cl,C11905532_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1)[C@@H]1CCCO1,C12131574_decoy,CP3A4,Decoy,0 +CNC(=O)c1ccccc1NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1C,C12372390_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N(C)[C@]2(C)Oc2ccccc23)c(C)c1,C12620112_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)c1ccc2c(c1)N[C@@H](c1ccco1)[C@H]1C(=O)CCC=C1N2,C08435972_decoy,CP3A4,Decoy,0 +COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)cc1O,C15009367_decoy,CP3A4,Decoy,0 +COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1O,C00626229_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2n[nH]c(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n2)cc1,C21098762_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)cc1,C21660470_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1,C27533367_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CN(C)C(=O)c2cccc3c4c([nH]c23)CC[C@@H](C)C4)cc1,C30877120_decoy,CP3A4,Decoy,0 +CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2,C33810121_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1ccccc1F)c1ccc(-c2nc3ccccc3s2)s1,C35553762_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc3nc(S[C@H](C)C(=O)N4CCCC4)nc(N)c23)C1,C36812268_decoy,CP3A4,Decoy,0 +N#CC1=C(N)OC2=NN=C(c3ccc(F)cc3)[C@@H]2[C@H]1c1cccc2ccccc12,C08382643_decoy,CP3A4,Decoy,0 +CN1c2ccccc2N[C@@H]1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1,C39552425_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1csc2c1CCCC2)c1ccc2oc3ccccc3c2c1,C39897715_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)c1c(NC(=O)c2cc3sccc3n2C)sc2c1CCCC2,C40798688_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(F)cc1,C43456026_decoy,CP3A4,Decoy,0 +CNC(=O)c1ccc(Cl)c(NC(=O)C2c3ccccc3Oc3ccccc32)c1,C46023123_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)ccc1O,C04678926_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c(S[C@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)nc2c1,C23514175_decoy,CP3A4,Decoy,0 +CSc1cc(C2=NN/C(=N\c3ccc(C)c(C)c3)SC2)ccc1NC(C)=O,C55048226_decoy,CP3A4,Decoy,0 +O=C1N/C(=N\N=C\c2ccccc2O)S[C@H]1Cc1cc(Cl)ccc1Cl,C04339366_decoy,CP3A4,Decoy,0 +Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)S2)cc1,C07127398_decoy,CP3A4,Decoy,0 +Cc1cc(N)nc(SCc2cc(=O)oc3cc(Br)ccc23)n1,C22090328_decoy,CP3A4,Decoy,0 +N#Cc1c(N)sc2c1CCN(c1ncnc3sc(-c4ccccc4)cc13)C2,C18175320_decoy,CP3A4,Decoy,0 +Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)c1cc(F)c(F)cc1Cl,C59148352_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Br)o1,C20139783_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccco2)[C@H]2c3ccccc3C=CN12,C15769724_decoy,CP3A4,Decoy,0 +NC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccco2)[C@H]2c3ccccc3C=CN21,C15769727_decoy,CP3A4,Decoy,0 +CC(C)(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1c(Cl)cccc1Cl,C60353313_decoy,CP3A4,Decoy,0 +Cc1ccc(O)c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1,C62038500_decoy,CP3A4,Decoy,0 +Nc1c(Br)cc(Br)cc1-c1nc(-c2ccco2)no1,C62825271_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)/C(=C/Nc3ccc(O)cc3)c3ccccc3C2=O)cc1C,C12651872_decoy,CP3A4,Decoy,0 +N#CC1=C(N)OC2=NN=C(c3ccccc3)[C@H]2[C@H]1c1ccc(C(F)(F)F)cc1,C01097712_decoy,CP3A4,Decoy,0 +Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C)c(F)c1)C(=O)C1=C(CCC1)N2,C64660915_decoy,CP3A4,Decoy,0 +CCc1cccc(C)c1NC(=O)CN1C(=O)C2=C(CCC2)Nc2cc(C)c(C)cc21,C64661030_decoy,CP3A4,Decoy,0 +O=C1C[C@H](Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1c1ccc(O)cc1,C16901688_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1,C66397515_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)C1=C2OS(=O)(=O)c2cc(OC)c(OC)cc21,C08382529_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)C1=C2OS(=O)(=O)c2cc(OC)c(OC)cc21,C08382528_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1CCCN1C(=O)CO/N=C1\C=C2CC[C@@H]3[C@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1,C08762197_decoy,CP3A4,Decoy,0 +CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S,C01450276_decoy,CP3A4,Decoy,0 +CC(C)CN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S,C01451389_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC,C09318804_decoy,CP3A4,Decoy,0 +O=C(OCc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12,C09730411_decoy,CP3A4,Decoy,0 +CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,C09793671_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(N3CCN(C(=O)[C@H]4CCCCN4S(=O)(=O)c4cccs4)CC3)sc2c1,C10785975_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c2sc(N3CCN(C(=O)[C@@H]4CCCCN4S(=O)(=O)c4cccs4)CC3)nc12,C10785979_decoy,CP3A4,Decoy,0 +O=C(CSc1ccccn1)N1CCOc2c(cc(-c3nc4ccccc4s3)cc2O[C@@H]2CCOC2)C1,C11785898_decoy,CP3A4,Decoy,0 +Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)n1,C12098378_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2ccnc2SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(C)c1,C06153483_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S,C02248082_decoy,CP3A4,Decoy,0 +COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCCC4=O)cc2)CC3)cc1,C14969515_decoy,CP3A4,Decoy,0 +O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1,C16044782_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1,C16053199_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1,C16053201_decoy,CP3A4,Decoy,0 +Cc1ccccc1N1CCN(C(=O)c2csc(CSc3nnc(C)n3-c3ccccc3C)n2)CC1,C16460916_decoy,CP3A4,Decoy,0 +Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1,C16700588_decoy,CP3A4,Decoy,0 +CCOC(=O)Cn1c2c(sc1=O)[C@H](c1cccs1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]1S2,C18212444_decoy,CP3A4,Decoy,0 +O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,C20029317_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)c1ccc2c(c1)OCCO2,C23556607_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S,C27021271_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12,C02253560_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCC(=O)C5CCCC5)ncnc4c23)CO1,C28286081_decoy,CP3A4,Decoy,0 +C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CCN1C(=O)c1cccs1,C35174839_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1,C35291226_decoy,CP3A4,Decoy,0 +C=CCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nnc(C)s2)c1,C35485773_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)ccc1OCc1ccccc1,C35514560_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC,C35514953_decoy,CP3A4,Decoy,0 +CCC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCN(C)CC4)cs3)cc2[C@H]1c1ccc(C)cc1,C35859544_decoy,CP3A4,Decoy,0 +O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1,C38522151_decoy,CP3A4,Decoy,0 +CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C,C38606755_decoy,CP3A4,Decoy,0 +Cc1cc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)c(Cl)cc1Cl,C38634687_decoy,CP3A4,Decoy,0 +Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Oc2ccccc2)c1)N([C@@H]1CCS(=O)(=O)C1)C3=O,C38648506_decoy,CP3A4,Decoy,0 +Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Oc2ccccc2)c1)N([C@H]1CCS(=O)(=O)C1)C3=O,C38648508_decoy,CP3A4,Decoy,0 +Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)c(=O)c12,C22017505_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)sc2c1,C36651938_decoy,CP3A4,Decoy,0 +CCOc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sc4c(c3c2=O)CCC4)cc1,C15184593_decoy,CP3A4,Decoy,0 +Cc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1,C33469186_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(N3C[C@@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1,C33473373_decoy,CP3A4,Decoy,0 +CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O,C39770720_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1OC,C39876050_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ncccc2C)cc1OC,C40008591_decoy,CP3A4,Decoy,0 +O=C(c1csc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)c2ccco2)CC3)n1)N1CCCC1,C40416428_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c3c2[C@@H](c2ccc(Cl)cc2)N(Cc2ccco2)C3=O)cc1,C41003822_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Br,C16692122_decoy,CP3A4,Decoy,0 +CCOC(=O)Cn1c2c(sc1=O)[C@@H](c1cccs1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]1S2,C47139285_decoy,CP3A4,Decoy,0 +COCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Br)cc2c1OCOC2)C3=O,C41650325_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(Br)s1,C03333472_decoy,CP3A4,Decoy,0 +CN(C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21)c1ccccc1,C08786576_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N(Cc2ccc(-c3cc(Cl)ccc3Cl)o2)[C@H]2CCS(=O)(=O)C2)cc1,C09130546_decoy,CP3A4,Decoy,0 +CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S,C09190862_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1,C09307042_decoy,CP3A4,Decoy,0 +N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3c3cccs3)CC2)cc1,C09549090_decoy,CP3A4,Decoy,0 +COc1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)(c2ccccc2)CC1,C09549947_decoy,CP3A4,Decoy,0 +Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(Br)ccc3Cl)co2)n1,C09829245_decoy,CP3A4,Decoy,0 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+Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12,C36675473_decoy,CP3A4,Decoy,0 +Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)nc12,C36691238_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)c1cc(F)c2c(c1)C/C(Cc1ccccc1)=N/c1c(Cl)ncnc1N2C,C39480582_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccccc1)[C@@H]1CCC[C@@]2(CCC[C@H](Cl)C2)N1S(=O)(=O)Oc1ccccc1,C39527535_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)N1[C@H](S(=O)(=O)Oc2ccccc2)CCC[C@@]12CCC[C@H](Br)C2,C39528005_decoy,CP3A4,Decoy,0 +CCn1c2c(c3ccccc31)CCn1c-2nc2cc(SC)c(S(=O)(=O)C(C)C)cc2c1=O,C39541256_decoy,CP3A4,Decoy,0 +CCc1c(C)sc2nc(S[C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)n(C[C@@H]3CCCO3)c(=O)c12,C11771402_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S,C39835951_decoy,CP3A4,Decoy,0 +CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S,C39835984_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1Cl)N1CCCCC1,C45550494_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(C)n1C(C)(C)C,C62692812_decoy,CP3A4,Decoy,0 +O=C(CSc1ncnc2nc(N3CCc4ccccc4C3)sc12)N1CCc2ccccc2C1,C35483765_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2,C05021133_decoy,CP3A4,Decoy,0 +COc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)c(OC)cc1Cl,C05512114_decoy,CP3A4,Decoy,0 +Cc1cc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl,C05765124_decoy,CP3A4,Decoy,0 +O=S(=O)([O-])c1cccc2cccc(N=Nc3c(O)ccc4ccccc34)c12,C04804156_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)[C@H]2C=C[C@@H]1O2,C06731237_decoy,CP3A4,Decoy,0 +COC(=O)c1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-],C08746196_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21,C13093940_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C(=O)[O-],C13184733_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)s1,C13301219_decoy,CP3A4,Decoy,0 +Cc1ccc(S[C@@H](C)C(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cc1,C13430921_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc(C)c1C,C17075091_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc(C)c1C,C17075092_decoy,CP3A4,Decoy,0 +O=Cc1c([O-])n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)[nH]c1=O,C06863217_decoy,CP3A4,Decoy,0 +Cc1cc(-c2nnc([S-])n2/N=C/c2ccccc2Br)[nH]n1,C05625937_decoy,CP3A4,Decoy,0 +C[C@H]1C[NH+](Cc2csc(/N=C(\[O-])c3ccc([O-])c(Cl)c3)n2)C[C@H](C)O1,C22297481_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1,C22960049_decoy,CP3A4,Decoy,0 +O=C([O-])c1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1O,C27230116_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12,C29011189_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2cc3ccccc3[nH]2)cc1,C33025748_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N/N=C2/C[C@@]3(C(=O)[O-])CC[C@]2(C)C3(C)C)cc1,C33937922_decoy,CP3A4,Decoy,0 +O=C([O-])Cc1cs/c(=N\S(=O)(=O)c2ccc(Cl)cc2F)[nH]1,C37461842_decoy,CP3A4,Decoy,0 +O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1C(=O)[O-],C00939391_decoy,CP3A4,Decoy,0 +Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1C(=O)[O-],C04677893_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nc2ncc(Cl)cc2[n-]1)C(=O)NC1(C#N)CCCCC1,C05310154_decoy,CP3A4,Decoy,0 +N#CC1(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)CCCCC1,C06582659_decoy,CP3A4,Decoy,0 +O=C(NC(=S)/N=C1\C=CC2=NC([O-])=NC2=C1)c1ccc(Br)cc1,C39354369_decoy,CP3A4,Decoy,0 +CC1=C2C(CSc3nc4ccc(C)cc4[nH]3)=CC(=O)N=C2S[C@H]1C(=O)[O-],C39690362_decoy,CP3A4,Decoy,0 +O=C(NC(=S)/N=C1\C=CC2=NC([O-])=NC2=C1)c1ccccc1Br,C39978191_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@H]1[C@H](C(=O)Nc2c(-c3ccccc3)nc3sccn23)[C@@H]2C=C[C@H]1C2,C40025632_decoy,CP3A4,Decoy,0 +O=C([O-])c1ccc(Cl)c(S(=O)(=O)/[NH+]=c2\ccc3c[n-]ccc-3c2)c1,C41104793_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(Cl)s1,C45334259_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccc(Cl)cc1)c1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O,C17015585_decoy,CP3A4,Decoy,0 +CC(=O)N1CCc2cc(/C([O-])=C(\C#N)C(=O)NCCc3ccccc3)ccc21,C50803896_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\SC([N-]c3ccc(O)cc3)=NC2=O)cc1OC,C13643329_decoy,CP3A4,Decoy,0 +N#C/C(C(=O)NC1CCCC1)=C([O-])\C=C\c1cc(Cl)c2c(c1)OCO2,C51651666_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])oc1Br,C55313045_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br,C55329812_decoy,CP3A4,Decoy,0 +O=C1Nc2ccccc2/C1=N/[N-]S(=O)(=O)c1ccc(Br)cc1,C18036890_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1C,C36833118_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2n[nH]c(/N=C(\[O-])CCc3nc4ccccc4s3)n2)s1,C60571615_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)sc2c1,C60934501_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc(Br)c1)c1cccc(-n2nc([O-])ccc2=O)c1,C61341671_decoy,CP3A4,Decoy,0 +O=C1C[C@H](c2ccc(C(=O)[O-])cc2)c2ncn(-c3ccc(Cl)cc3)c2N1,C36358648_decoy,CP3A4,Decoy,0 +N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1,C63878404_decoy,CP3A4,Decoy,0 +CCS(=O)(=O)c1ccc(/C([O-])=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1,C64101285_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nc2nc(CNc3c(C)cccc3C)cc(=O)n2[n-]1,C64787882_decoy,CP3A4,Decoy,0 +CC(C)COc1ccccc1NC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1,C65502405_decoy,CP3A4,Decoy,0 +O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccc([O-])nn1,C43702458_decoy,CP3A4,Decoy,0 +O=C1NCCN1c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1,C66578714_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cs1,C66629096_decoy,CP3A4,Decoy,0 +C[C@]1(CO)[C@H]2Cc3sc(NC(=O)c4cccs4)nc3[C@@H](CC(=O)NC3CC3)[C@]2(C)CC[C@H]1O,C03841109_decoy,CP3A4,Decoy,0 +Nc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O,C03861401_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)C[C@@H]1c2nc(Nc3cccc(O)c3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]21C,C03841657_decoy,CP3A4,Decoy,0 +CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)cc2)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1,C03876669_decoy,CP3A4,Decoy,0 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+CC(C)(C)c1cc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc(C(C)(C)C)c1O,C18200773_decoy,CP3A4,Decoy,0 +O=C(CCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)N/N=C1\C(=O)Nc2ccc(Br)cc21,C01796643_decoy,CP3A4,Decoy,0 +N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([C@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc2)[C@@H]2CCCC=C12,C19902351_decoy,CP3A4,Decoy,0 +COC(=O)C1=c2/c(=C/c3ccc(O)cc3)c(N)c(C(=O)OC)n2C(=O)[C@@H](c2ccc(O)cc2)S1,C20220569_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(S(N)(=O)=O)cc1,C20568339_decoy,CP3A4,Decoy,0 +COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1,C22196781_decoy,CP3A4,Decoy,0 +CCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2cc(S(N)(=O)=O)ccc21,C22309423_decoy,CP3A4,Decoy,0 +Nc1c(C(=O)NNS(=O)(=O)c2ccccc2)c2ccccn2c1C(=O)c1ccc(Br)cc1,C27526234_decoy,CP3A4,Decoy,0 +COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@H](O)[C@@](C)(O)[C@H]3O)ccc(O)c12,C31298217_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc(OC)c1O,C08684311_decoy,CP3A4,Decoy,0 +C[C@@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)CC6=O)c(O)cc(O)c3c2O)O1,C13660214_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)CS[C@H]2NN[C@@H]([C@@H]3C=C(c4ccc(F)cc4)N=N3)N2N)c(Cl)c1,C39012387_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1,C26780132_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4O)C3=O)o2)cc1,C40004242_decoy,CP3A4,Decoy,0 +Cc1cccc(Nc2ncnc(Nc3cc(Cl)c([C@H](C#N)c4ccc(Cl)cc4)cc3C)c2N)n1,C40685238_decoy,CP3A4,Decoy,0 +Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)c2n1,C40758656_decoy,CP3A4,Decoy,0 +Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)nc12,C40783472_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(N)=S)CCC2,C40824605_decoy,CP3A4,Decoy,0 +CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]1(C)[C@@H]2CC(=O)Nc1cccc(O)c1,C43553451_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc3nc(SCC(=O)N4C[C@@H](C(N)=O)Oc5ccccc54)nc(N)c23)C1,C45638086_decoy,CP3A4,Decoy,0 +NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12,C15953554_decoy,CP3A4,Decoy,0 +CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1,C20610662_decoy,CP3A4,Decoy,0 +COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])n(-c2ccc(Br)cc2)c(=O)[nH]c1=O,C20610973_decoy,CP3A4,Decoy,0 +Cc1cc(Cl)c2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2,C16021636_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2\S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)c(Br)cc1O,C13915237_decoy,CP3A4,Decoy,0 +Nn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccccc1Br,C58988950_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1C2=C(CCCC2)S[C@@H]1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1,C39939350_decoy,CP3A4,Decoy,0 +CC(C)(C)N1C(=O)[C@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O,C20548760_decoy,CP3A4,Decoy,0 +CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2Cc2ccc(O)c(O)c2)C(=O)Nc2ccc(Cl)cc21,C20548758_decoy,CP3A4,Decoy,0 +Cn1nc(-c2ccccc2)c(CCl)c1SCc1ccc(Cl)cc1,C02243939_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1,C01778561_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc3ncnc(SCc4ccc(F)cc4)c23)C1,C00084861_decoy,CP3A4,Decoy,0 +C=CCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N,C04123231_decoy,CP3A4,Decoy,0 +N#CC[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Br)cc1,C00624327_decoy,CP3A4,Decoy,0 +CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2C1=O,C00069743_decoy,CP3A4,Decoy,0 +O=C1c2ccccc2-c2c1cc(OCCBr)c1ccccc21,C02546338_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1C(C=O)=C(c2ccccc2)Oc2ccccc21,C03122252_decoy,CP3A4,Decoy,0 +CCO[C@@]12c3ccccc3O[C@H](c3ccc(F)cc3)[C@@H]1C2(Cl)Cl,C04690004_decoy,CP3A4,Decoy,0 +O=CC1=C(c2ccccc2)OC(c2ccccc2)=C[C@@H]1c1ccccc1,C03185624_decoy,CP3A4,Decoy,0 +COc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1Cl,C02893074_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\SC=C(c3ccc(OC)cc3)S2)cc1,C00526892_decoy,CP3A4,Decoy,0 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+C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C15450001_decoy,CP3A4,Decoy,0 +Nc1cc(N)cc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6cc(N)cc(N)c6)nc5c4)ccc3o2)c1,C20494168_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1,C20527662_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)C[C@H]2SC(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)cc1,C20559588_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)C[C@H]2SC(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)c1C,C20559614_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1,C20832820_decoy,CP3A4,Decoy,0 +C/C(=N\Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccc([N+](=O)[O-])cc1,C20838012_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cc1,C20906184_decoy,CP3A4,Decoy,0 +CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1,C20906550_decoy,CP3A4,Decoy,0 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+COc1ccc(OC)c(C(=O)N2C[C@@H](C(=O)NCc3cn4ccc(C)cc4[nH+]3)C3(CC[NH2+]CC3)C2)c1,C39670209_decoy,CP3A4,Decoy,0 +CCc1ccc(C(=O)N2C[C@@H](C(=O)NCCC3=c4cc(C#N)ccc4=[NH+][C@@H]3C)C3(CC[NH2+]CC3)C2)cc1,C39674665_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N2C[C@@H](C(=O)NCCC3=c4cc(C#N)ccc4=[NH+][C@H]3C)C3(CC[NH2+]CC3)C2)c(OC)c1,C39674677_decoy,CP3A4,Decoy,0 +O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2,C39687389_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2C[C@H](C(=O)NC3CCN(c4[nH+]cccc4C)CC3)C3(CC[NH2+]CC3)C2)cc1,C39687590_decoy,CP3A4,Decoy,0 +O=C(NCC1CC[NH+](C2CCCC2)CC1)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,C39689103_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)=C[C@@H]([C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(c3ccccc3OC)CC1)C(=O)[NH+]=2,C39710464_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)=C[C@@H]([C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(c3ccc(OC)cc3)CC1)C(=O)[NH+]=2,C39710474_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)=C[C@H]([C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(c3ccc(OC)cc3)CC1)C(=O)[NH+]=2,C39710475_decoy,CP3A4,Decoy,0 +COc1ccccc1N1CC[NH+]([C@H]([C@H]2C=c3cc(C)c(C)cc3=[NH+]C2=O)[C@@H]2N=NNN2C(C)(C)C)CC1,C39711213_decoy,CP3A4,Decoy,0 +COc1ccc(N2CC[NH+]([C@H]([C@@H]3C=c4cc(C)c(C)cc4=[NH+]C3=O)[C@@H]3N=NNN3C(C)(C)C)CC2)cc1,C39711222_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C[C@@H]([C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(c3ccccc3F)CC1)C(=O)[NH+]=2,C39711317_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)[NH+]2CCC(C3=c4cccnc4=[NH+]C3)CC2)CC1,C52550571_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)[NH+]2CCC(C3=c4cccnc4=[NH+]C3)CC2)CC1,C52550573_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H]([NH2+][C@@H]4CCCC[C@@H]4C)C3=O)cc2)C1=O,C13388266_decoy,CP3A4,Decoy,0 +CCC1=NN2C(=O)C=C(COc3ccc(/C=C(\C#N)C4[NH+]=c5ccccc5=[NH+]4)cc3OC)N[C@H]2S1,C63490987_decoy,CP3A4,Decoy,0 +CCOc1cc(N2CC(=O)C([C@@H]3[NH+]=c4ccc(C)cc4=[NH+]3)=C2N)c(OCC)cc1NC(=O)c1ccccc1,C63515073_decoy,CP3A4,Decoy,0 +COc1ccc(C2=NN(C3[NH+]=c4ccccc4=[NH+]3)C(=O)/C2=C\Nc2cc(OC)c(Cl)cc2OC)cc1,C63617128_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(S(=O)(=O)[C@@H]2N=NN3c4ccccc4C(NCCC4=c5ccccc5=[NH+]C4)=[NH+][C@@H]23)c1,C63669077_decoy,CP3A4,Decoy,0 +CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC4[NH+]=c5ccccc5=[NH+]4)C3)ccc21,C63698358_decoy,CP3A4,Decoy,0 +CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC4[NH+]=c5ccccc5=[NH+]4)C3)ccc21,C63698359_decoy,CP3A4,Decoy,0 +CC1=C(CCC2=[NH+]C3=c4ccccc4=[NH+][C@@H](SCC(=O)Nc4ccccc4C)N3N2)[C@@H](C)N=N1,C63708265_decoy,CP3A4,Decoy,0 +CC1=C(CCC2=[NH+]C3=c4ccccc4=[NH+][C@H](SCC(=O)Nc4ccc(C)c(F)c4)N3N2)[C@@H](C)N=N1,C63708330_decoy,CP3A4,Decoy,0 +CC[C@H](S[C@@H]1[NH+]=c2ccccc2=C2[NH+]=C(CCC3=C(C)N=N[C@@H]3C)NN21)C(=O)Nc1ccccc1F,C63708334_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1[C@H](NC(C)=O)c2cc(N[C@H](C)CSC)c[nH+]c2N1CCC1=c2ccccc2=[NH+]C1,C63994128_decoy,CP3A4,Decoy,0 +C/C=C(\C)CNc1c[nH+]c2c(c1)[C@@H](NC(=O)COC)[C@@H](C(=O)OC)N2CCC1=c2ccccc2=[NH+]C1,C63994296_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1[C@H](NC(C)=O)c2cc(NCc3ccc(C)cc3)c[nH+]c2N1CCC1=c2ccccc2=[NH+]C1,C63994385_decoy,CP3A4,Decoy,0 +CN(CC1[NH+]=c2ccccc2=[NH+]1)C(=O)c1cc(NC(=O)[C@@H]2CCCO2)c2c(c1)N[C@H](C1CCC1)N2C,C64006276_decoy,CP3A4,Decoy,0 +Cc1ncc2c(c1CNC(=O)C[NH+]1CCCCC1)CCN(C(=O)CCC1=c3ccccc3=[NH+]C1)C2,C64040317_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=[NH+][C@H]([C@@H](C)NC(=O)c1cn(CC(C)C)cc(C(=O)N3CCCCCC3)c1=O)[NH+]=2,C64044329_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2Nc3ccccc3-c3nnc(SCC(=O)NCC4[NH+]=c5ccccc5=[NH+]4)n32)cc1,C64427109_decoy,CP3A4,Decoy,0 +N#C[C@@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CCc1nc(CS[C@@H]2[NH+]=c3ccc(Cl)cc3=[NH+]2)no1,C64604329_decoy,CP3A4,Decoy,0 +CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1,C08751400_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@@H](c1cccs1)[NH+](CC(=O)Nc1ccc(N3CCOCC3)cc1)CC2,C08899187_decoy,CP3A4,Decoy,0 +CC[C@H](C)[NH+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1,C09433781_decoy,CP3A4,Decoy,0 +Cc1c(C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2n1C[C@@H](O)C[NH+]1CCCC1,C09612154_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)Nc1cccc2ccccc12,C02634131_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1,C09936580_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1,C09936584_decoy,CP3A4,Decoy,0 +COC(=O)c1c(S(=O)(=O)Nc2ccccc2C)sc2c1CC[NH+](Cc1c(F)cccc1F)C2,C11966317_decoy,CP3A4,Decoy,0 +O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1,C12027706_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)Cc2nnnn2Cc2ccc(F)cc2)cc1,C13033385_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1,C13117263_decoy,CP3A4,Decoy,0 +CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[NH+]1Cc1ccccc1O,C11789622_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1,C09471279_decoy,CP3A4,Decoy,0 +C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)c1,C09424806_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[NH+](C)C,C14514805_decoy,CP3A4,Decoy,0 +CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c(Br)c1,C14554541_decoy,CP3A4,Decoy,0 +COc1ccc(CN(C(=O)/C=C/c2cccs2)C2(C(=O)Nc3ccccc3)CC[NH+](C)CC2)cc1,C16756562_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1,C18128444_decoy,CP3A4,Decoy,0 +Cc1ccc(OC[C@H](O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C)c1,C19363152_decoy,CP3A4,Decoy,0 +CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCN2CC[NH+](C)CC2)CC1,C20597900_decoy,CP3A4,Decoy,0 +Cc1cccc(N2CC[NH+](CCCNC(=O)CCC(=O)N3Cc4cccn4-c4ccccc43)C[C@@H]2C)c1,C21663687_decoy,CP3A4,Decoy,0 +CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1,C22010508_decoy,CP3A4,Decoy,0 +C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1,C22381182_decoy,CP3A4,Decoy,0 +Cc1c(C#N)c(NC(=O)C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)n(Cc2ccco2)c1C,C22780887_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1,C22786055_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1OC[C@H](O)CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,C22914658_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,C23483121_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1,C24772294_decoy,CP3A4,Decoy,0 +FC(F)(F)c1ccc2c(NCC[NH+]3CCN(Cc4cccnc4)CC3)ncc(-c3ccsc3)c2n1,C24912919_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1,C30594832_decoy,CP3A4,Decoy,0 +O=C(NCCCOC1CCCC1)C1CC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)CC1,C30979728_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)sc2c1CCCC2,C30982638_decoy,CP3A4,Decoy,0 +CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)[NH+](C)C)cc1,C32732731_decoy,CP3A4,Decoy,0 +CN(C)C(=O)C[NH+]1CCN(c2nc(SCC(=O)Nc3ccccc3)nc3sc4c(c23)CCC4)CC1,C34757974_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C[NH+](Cc2ccc(F)cc2)Cc2nc(C(=O)NCCN3CCOCC3)co2)cc1,C36068730_decoy,CP3A4,Decoy,0 +Cc1ccc(Oc2c(C[NH+](CC3CC3)C[C@@H](O)CN3CCOCC3)c(-c3ccccc3)nn2C)cc1,C36316093_decoy,CP3A4,Decoy,0 +CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC[NH+]1CCCC1,C34686436_decoy,CP3A4,Decoy,0 +CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1C[NH+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2,C20616206_decoy,CP3A4,Decoy,0 +CCOc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1,C38597816_decoy,CP3A4,Decoy,0 +CCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1,C38597821_decoy,CP3A4,Decoy,0 +CCc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1,C38597823_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl,C38597836_decoy,CP3A4,Decoy,0 +O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1,C36684469_decoy,CP3A4,Decoy,0 +CCOc1cc(C=O)ccc1OC[C@H](O)C[NH+](Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1,C40320398_decoy,CP3A4,Decoy,0 +Cc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccccc2)c1C,C44885082_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCC3)cn2)C2=c3ccccc3=[NH+]C2)cc1,C63228973_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CN3C(=O)CN(CCCO)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)ccc1OC(C)C,C63374527_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1,C63490726_decoy,CP3A4,Decoy,0 +CC[C@H]1S[C@H](NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)N=C1c1ccccc1,C63557509_decoy,CP3A4,Decoy,0 +CCOC(=O)CCNC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2[C@H]1c1ccc(OC)cc1,C35427202_decoy,CP3A4,Decoy,0 +CSc1sc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c2c1[C@H](O)CCC2,C01037820_decoy,CP3A4,Decoy,0 +CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC,C05004099_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2C(C(N)=S)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC,C05514394_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1ccco1,C02211518_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1,C06263063_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cccc1[N+](=O)[O-],C06825176_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1,C07476881_decoy,CP3A4,Decoy,0 +NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\CC1CCCCC1)N2CC1CCCCC1,C08296106_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c3nc(N/N=C/c4cc(O)c(O)c(Br)c4)nnc3c2c1,C15018446_decoy,CP3A4,Decoy,0 +CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3,C15083787_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1O,C18200540_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2,C20682492_decoy,CP3A4,Decoy,0 +C[NH+]1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)cc13,C22056548_decoy,CP3A4,Decoy,0 +CCC(C(=O)N[C@@H](O)C(Cl)(Cl)Cl)C(=O)N[C@@H](O)C(Cl)(Cl)Cl,C25493975_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(N)C(=O)[C@H]45)[C@@H]23)ccc1O,C28295129_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)OC(C)C)cc1,C28467013_decoy,CP3A4,Decoy,0 +CC(=O)OC[C@@H](O)[C@@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C,C36370967_decoy,CP3A4,Decoy,0 +CCNC(=O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br,C36780197_decoy,CP3A4,Decoy,0 +Nc1cc(Br)cc(Br)c1S(=O)(=O)NCC(=O)NC1CC1,C36782181_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nnc(Nc2ccc(SC(F)F)cc2)s1)C(=O)NC(N)=O,C36796585_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@@H]2C(N)=O)cc1C,C20388825_decoy,CP3A4,Decoy,0 +CC1=C2[C@H](c3cc(CSc4nnc(N)s4)cs3)C(C#N)=C(N)O[C@@H]2N=N1,C39217802_decoy,CP3A4,Decoy,0 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+CC(C)[C@@H](Sc1ncnc2c1cnn2C)C(=O)N1CCc2sccc2C1,C30756515_decoy,CP3A4,Decoy,0 +Cn1nccc1C(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1,C14970446_decoy,CP3A4,Decoy,0 +CN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,C09526976_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](c2nc(-c3ccc(N4CCCC4)cc3)no2)CN1c1ccccc1,C33255315_decoy,CP3A4,Decoy,0 +O=C1C[C@H](c2nc(-c3ccc(N4CCCC4)cc3)no2)CN1c1ccccc1,C33255316_decoy,CP3A4,Decoy,0 +C=CCn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2c3c(sc21)CCCC3,C34727524_decoy,CP3A4,Decoy,0 +O=C(c1cccs1)N1CCSc2nnc(COc3ccc(F)cc3)n21,C34812296_decoy,CP3A4,Decoy,0 +CCc1nnc(-c2cn(CC(=O)N3CCc4ccccc43)c3ccccc23)o1,C35422951_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2ccncc2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21,C05370584_decoy,CP3A4,Decoy,0 +CC1=C[C@@H](C(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3=O)C2)N=N1,C39485612_decoy,CP3A4,Decoy,0 +O=C([C@H]1C=C(Cn2ccc3ccccc32)N=N1)N1CCC[C@H]1c1nccs1,C39531639_decoy,CP3A4,Decoy,0 +Cc1noc(-c2ccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc2)n1,C39554855_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=C(C(=O)Oc3ccc(C#N)cc3)OCCS2(=O)=O)cc1,C41002933_decoy,CP3A4,Decoy,0 +COc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c(OC)cc1Br,C41096939_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C(=O)c2cc3cccc(C)c3o2)[C@@H]2CCS(=O)(=O)C2)o1,C41329994_decoy,CP3A4,Decoy,0 +Cc1cc2nnc(S[C@@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)C(C)C)n2c(C)n1,C41722671_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSC(=S)N3CCCC3)n21,C42152178_decoy,CP3A4,Decoy,0 +CC1=C2C(=O)N=C([C@@H](C)OC(=O)[C@@H]3Cc4ccccc4O3)N=C2S[C@H]1C,C44645678_decoy,CP3A4,Decoy,0 +Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,C45773284_decoy,CP3A4,Decoy,0 +Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)o2)s1,C45852334_decoy,CP3A4,Decoy,0 +O=C(Cn1nnc(-c2ccco2)n1)c1ccc(I)cc1,C48032733_decoy,CP3A4,Decoy,0 +CC(=O)N1CCCc2cc(S(=O)(=O)Oc3ccc(CC#N)cc3)ccc21,C15330544_decoy,CP3A4,Decoy,0 +CC(=O)N(C)c1nc(CSc2nc3ccc(C)cc3c(=O)n2C)cs1,C52892396_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1csnn1)CC2,C56380699_decoy,CP3A4,Decoy,0 +CCc1nnsc1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1,C24398267_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCC(C#N)CC2)o1,C61585294_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)c(OC)c1,C62616763_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc(-c2nnc(C3CC3)o2)s1)N1CCc2ccccc21,C64920195_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cn3ccccc3n2)c1C,C56268877_decoy,CP3A4,Decoy,0 +Cc1ccc(C)n1-c1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1C,C66504619_decoy,CP3A4,Decoy,0 +N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4c3OCO4)n2)cc1,C66544619_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)N(C)[C@H](C)c2ccccc2)nnn1-c1cccc2cccnc12,C67133746_decoy,CP3A4,Decoy,0 +Cc1ccsc1-c1nc(CN2CCc3nnc(C(C)C)n3CC2)c(C)o1,C67458477_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccccc3)Cc3ccc(F)cc3)cc2c1,C06197892_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c2C(=O)NC)C1,C08920446_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1,C06408526_decoy,CP3A4,Decoy,0 +O=C(NCC[NH+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1,C09433692_decoy,CP3A4,Decoy,0 +O=C1c2cccc3cccc(c23)C(=O)N1CC1CC[NH+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1,C12170611_decoy,CP3A4,Decoy,0 +CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)nnc1[C@H](CC)[NH+](C)C,C12550112_decoy,CP3A4,Decoy,0 +O=c1[nH]c2cc3c(cc2cc1C[NH+](Cc1ccc(F)cc1)Cc1nnnn1CCc1ccccc1)OCCO3,C13033935_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+](Cc3cccnc3)Cc3ccco3)cc2c1,C06281936_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1Cc1ccccc1)[NH+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O,C13063865_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C1CCCCC1)[NH+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,C13064447_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C13064682_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1CCc1ccccc1)[NH+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,C13065101_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C13065217_decoy,CP3A4,Decoy,0 +Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+](Cc3cccs3)C[C@@H]3CCCO3)c(=O)[nH]c12,C06443748_decoy,CP3A4,Decoy,0 +CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1,C09424835_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2c(C)nc3ccccn23)[C@@H]1c1cccc(Br)c1,C09007852_decoy,CP3A4,Decoy,0 +COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,C09612041_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,C13495844_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+][C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1,C01631529_decoy,CP3A4,Decoy,0 +CCOc1ccc(CCn2cnc3c(c2=[NH2+])[C@@H](c2ccccc2)c2ccc4ccccc4c2O3)cc1OCC,C13786670_decoy,CP3A4,Decoy,0 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+C=CC[NH+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C,C36309891_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C33937067_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)c1,C37263954_decoy,CP3A4,Decoy,0 +COc1ccc(CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc2ccc(C)cc2Br)cc1OC,C39302396_decoy,CP3A4,Decoy,0 +COc1ccc(CCOC(=O)[C@@H]2CCCC[NH+]2CC(=O)Nc2ccc(C)cc2Br)cc1OC,C39302397_decoy,CP3A4,Decoy,0 +O=C(CS[C@@H]1NN=C(CNc2ccc(Cl)cc2)N1c1ccccc1)N/N=C/C1=c2ccccc2=[NH+]C1,C39444106_decoy,CP3A4,Decoy,0 +CCCc1cc(S(=O)(=O)Oc2ccccc2)ccc1N1CC[NH2+][C@@H](S(=O)(=O)Oc2ccccc2)C1,C39529236_decoy,CP3A4,Decoy,0 +COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(C(=O)c4ccc(OC)c(OC)c4)CC34CC[NH2+]CC4)c2c1,C39599010_decoy,CP3A4,Decoy,0 +CCOc1ccccc1CCNC(=O)[C@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)CC12CC[NH2+]CC2,C39652793_decoy,CP3A4,Decoy,0 +COc1ccc(O[C@H](C)CNC(=O)[C@@H]2CN(C(=O)c3cccc(OC(C)=O)c3C)CC23CC[NH2+]CC3)cc1,C39665733_decoy,CP3A4,Decoy,0 +Cc1cccc2c(CCNC(=O)[C@@H]3CN(C(=O)[C@@H](Oc4ccccc4)C(C)C)CC34CC[NH2+]CC4)c[nH]c12,C39684235_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2c1CC[NH+](C(C)C)C2,C36648021_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2NN=C(SCC(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N2c2ccc(Cl)cc2)cc1,C39923318_decoy,CP3A4,Decoy,0 +COc1ccc(CC/N=C2\C[C@@H](c3ccc(OC)c(OC)c3)[NH+](CCc3ccccc3)C[C@@]2(C)O)cc1OC,C15226678_decoy,CP3A4,Decoy,0 +Cc1cccc(OC[C@H](O)C[NH+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)[C@@H]2CCS(=O)(=O)C2)c1,C40313518_decoy,CP3A4,Decoy,0 +COc1ccc(-c2csc(Nc3ccccc3OC)[n+]2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1,C38740817_decoy,CP3A4,Decoy,0 +CCSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=[NH2+])N12,C20114655_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2\C(=[NH2+])N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1F,C20208285_decoy,CP3A4,Decoy,0 +CCOc1ccc(CC[n+]2cnc3c(c2N)[C@H](c2ccccc2)c2ccc4ccccc4c2O3)cc1OCC,C49713788_decoy,CP3A4,Decoy,0 +CSc1ccccc1NC(=O)COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1Cl,C63258816_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/NC(=O)[C@@H]2C=C(C(C)(C)C)N=N2)cc1C[NH+]1CCc2cc(OC)c(OC)cc2[C@H]1C,C63699221_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(-c3cccc(Br)c3)c(C)c(C(=O)[O-])c2c1,C00650723_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(=O)[O-])c2c1,C04651957_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(-c3ccccc3Br)cc(C(=O)[O-])c2c1,C04652010_decoy,CP3A4,Decoy,0 +O=C([O-])c1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1,C05156284_decoy,CP3A4,Decoy,0 +O=C([O-])/C=C/c1ccccc1Oc1ccc(I)cc1,C02383827_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nc3c(C)cccc3c(C(=O)[O-])c2N2CCCCCC2)cc1,C11850126_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1,C12528968_decoy,CP3A4,Decoy,0 +O=C([O-])c1sc(/C=C/c2cccc3ccccc23)nc1-c1ccccc1,C13026416_decoy,CP3A4,Decoy,0 +Cc1ccc(C)n1-c1sc2c(c1C(=O)[O-])CC[C@H](C(C)(C)C)C2,C15014553_decoy,CP3A4,Decoy,0 +O=C([O-])c1csc(C2(c3ccc(F)cc3)[C@@H]3CCCC[C@@H]32)n1,C11885696_decoy,CP3A4,Decoy,0 +CC(C)(C)C(=O)C[C@H](C1=C([O-])c2ccccc2C1=O)c1ccccc1,C00296103_decoy,CP3A4,Decoy,0 +O=C([O-])/C=C/c1c(Cl)cccc1Oc1ccccc1Br,C20527257_decoy,CP3A4,Decoy,0 +O=C([O-])c1nc(-c2cccs2)oc1-c1ccc(Br)cc1F,C20547991_decoy,CP3A4,Decoy,0 +O=C([O-])/C=C/c1c(Cl)cccc1Oc1cccc(Cl)c1Cl,C20576084_decoy,CP3A4,Decoy,0 +FC(F)Sc1ccccc1-n1c([S-])nnc1-c1cccs1,C20591158_decoy,CP3A4,Decoy,0 +[S-]c1nnc(-c2cccs2)n1-c1ccccc1I,C20591172_decoy,CP3A4,Decoy,0 +[S-]c1nnc(-c2cccs2)n1-c1ccc(I)cc1,C20591178_decoy,CP3A4,Decoy,0 +[S-]c1nnc(-c2ccc(Br)cc2)n1-c1cccc2ncccc12,C13552214_decoy,CP3A4,Decoy,0 +CC[C@H]1CCc2nc3cccc(Br)c3c(C(=O)[O-])c2C1,C21010661_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2ccc(Br)cc2)[N-][C@H](S)N1c1ccccc1,C22079911_decoy,CP3A4,Decoy,0 +CCc1c(C)nc(SCc2ccc(Br)cc2)nc1[O-],C08465795_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[O-])ccc1Cl,C28464260_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N=C3[O-])cc2)cc1,C08372271_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CSc2nc3nc(C)c(Br)cc3[n-]2)c1,C06844345_decoy,CP3A4,Decoy,0 +O=C([O-])CCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,C37116959_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)c1ccccc1,C00771809_decoy,CP3A4,Decoy,0 +[O-]c1nc2ccc([C@@H](Cl)c3cccc(Br)c3)cc2o1,C40273588_decoy,CP3A4,Decoy,0 +N#CC(=C\c1ccccc1)/C([O-])=N/c1nc(-c2ccc3c(c2)CCCC3)cs1,C41013157_decoy,CP3A4,Decoy,0 +O=C([O-])[C@]1(Oc2cccc(Br)c2)CCCc2ccccc21,C41946286_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@](Oc1ccccc1Br)(c1ccccc1)C1CC1,C41951552_decoy,CP3A4,Decoy,0 +Cc1ccc(O[C@](C)(C(=O)[O-])c2ccc(F)cc2)c(Br)c1,C41956261_decoy,CP3A4,Decoy,0 +CC[C@@](Sc1nc(C)cs1)(C(=O)[O-])c1ccc(Br)cc1,C41980108_decoy,CP3A4,Decoy,0 +CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC[C@@H](C)CC(=O)[O-],C43510362_decoy,CP3A4,Decoy,0 +C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C/C=C(\C=O)CC(=O)[O-],C43511041_decoy,CP3A4,Decoy,0 +C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3C(=O)C[C@H]4CCCC[C@@]4(C)[C@H]3CC[C@]21C,C43726868_decoy,CP3A4,Decoy,0 +N#C/C(C(=O)c1ccc(I)cc1)=C(\[O-])c1cccs1,C48529132_decoy,CP3A4,Decoy,0 +[O-]c1nc(SCc2ccccc2)nc2c1sc1ccccc12,C15987521_decoy,CP3A4,Decoy,0 +O=C([O-])c1cccc(F)c1Oc1ccc(Br)cc1Cl,C54188101_decoy,CP3A4,Decoy,0 +Cc1ccc(/N=C/C(C(=O)C(F)(F)F)=C(\[O-])c2cccs2)cc1,C02712829_decoy,CP3A4,Decoy,0 +O=C1N=C([N-]C2CCCC2)S/C1=C\c1cc(-c2ccccc2)cs1,C54802337_decoy,CP3A4,Decoy,0 +O=C1N=C([N-]c2ccc(F)cc2)S/C1=C\c1ccccc1F,C05376928_decoy,CP3A4,Decoy,0 +O=C1N=C([N-]c2ccc(F)cc2)S/C1=C\c1ccc(Br)cc1,C05551196_decoy,CP3A4,Decoy,0 +[O-]c1nc(/C(Cl)=C/c2ccc(Cl)cc2Cl)nc2ccccc12,C31824004_decoy,CP3A4,Decoy,0 +C=C(C)CSCc1ccccc1-c1nc(C)c(C(=O)[O-])s1,C58240143_decoy,CP3A4,Decoy,0 +CC(=C/c1ccccc1)/C=C(/Cl)c1nc([O-])c2cc(Cl)ccc2n1,C58246048_decoy,CP3A4,Decoy,0 +Cc1ccsc1/C=C(C#N)\C([O-])=N\c1cccc(Cl)c1Cl,C59336111_decoy,CP3A4,Decoy,0 +O=C([O-])[C@H]1CCCCC[C@@H]1Oc1ccc(Br)cc1F,C62762233_decoy,CP3A4,Decoy,0 +COc1cc(-n2c([O-])c3ccccc3nc2=S)c(Cl)cc1Cl,C08578218_decoy,CP3A4,Decoy,0 +CCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C([O-])CCCC2=N1,C02348698_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1,C66577397_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)o1,C03613790_decoy,CP3A4,Decoy,0 +N#Cc1c(SCC(=O)NC2CCCC2)sc2c(=O)[nH]c(=O)[nH]c12,C04993685_decoy,CP3A4,Decoy,0 +O=C([O-])[C@H]1[NH2+][C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21,C05245547_decoy,CP3A4,Decoy,0 +O=c1nc(Sc2ccccc2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O,C05461165_decoy,CP3A4,Decoy,0 +NC(=O)c1ccsc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1,C05854878_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1,C06342342_decoy,CP3A4,Decoy,0 +O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2)[NH2+]1,C00188513_decoy,CP3A4,Decoy,0 +NC(=O)c1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O,C12697043_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NNC(=O)NC(=O)c2ccccc2)sc(=S)n1C,C16847508_decoy,CP3A4,Decoy,0 +CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1,C05408397_decoy,CP3A4,Decoy,0 +Cn1c([O-])c([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)c(=O)n(C)c1=S,C20411151_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2[C@@H]3C[NH+](C)CC=C3C(C(=O)[O-])=C(N)C2(C#N)C#N)o1,C01445454_decoy,CP3A4,Decoy,0 +C[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CCO1,C24113454_decoy,CP3A4,Decoy,0 +O=C1CSc2ccc(C(=O)NNC(=O)c3ccc4ccccc4n3)cc2N1,C27682547_decoy,CP3A4,Decoy,0 +CCc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O,C32859743_decoy,CP3A4,Decoy,0 +Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1,C37053651_decoy,CP3A4,Decoy,0 +Nc1ccc(NC(=O)CN2C(=O)CSC2=O)c(Br)c1,C37273873_decoy,CP3A4,Decoy,0 +C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@H]1O,C04349845_decoy,CP3A4,Decoy,0 +Nc1cc(Br)ccc1S(=O)(=O)NC[C@@H]1COCCO1,C38062529_decoy,CP3A4,Decoy,0 +CNC(=O)[C@@H]1NN(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccccc21,C38870073_decoy,CP3A4,Decoy,0 +Cc1csc(NC(=O)[C@H]2Sc3nc(C(F)(F)F)cc(C)c3[C@H]2N)n1,C39030159_decoy,CP3A4,Decoy,0 +O=C(CCN1C(=O)c2ccccc2N[C@H]1O)NC1=CC2=CC=N[C@@H]2C=C1,C39277001_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1,C43043006_decoy,CP3A4,Decoy,0 +NC(=S)C1(NS(=O)(=O)c2cncc(Br)c2)CCCC1,C44243215_decoy,CP3A4,Decoy,0 +CC1=C2C(=O)N=C([C@H](C)S[C@@H]3NN=C(N)S3)N=C2S[C@H]1C,C44650004_decoy,CP3A4,Decoy,0 +CN(Cc1csc(Br)c1)C(=O)C1(/C(N)=N/O)CCOCC1,C44791351_decoy,CP3A4,Decoy,0 +Cc1cc(Br)cc2c1NC(=O)[C@H]2[NH2+][C@H](C)c1nnn[n-]1,C44926726_decoy,CP3A4,Decoy,0 +CCN(C/C(N)=N/O)S(=O)(=O)c1ccc(Br)cc1,C45062190_decoy,CP3A4,Decoy,0 +O=C1COc2ccc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)cc2N1,C45837527_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1I,C48496028_decoy,CP3A4,Decoy,0 +CCc1nc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cs1,C48923831_decoy,CP3A4,Decoy,0 +NC(=S)c1cccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1,C50603107_decoy,CP3A4,Decoy,0 +Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1CCCO1,C50635345_decoy,CP3A4,Decoy,0 +Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1COCCO1,C50662679_decoy,CP3A4,Decoy,0 +Cc1nnc(SCC(=O)Nc2ccc(N)cc2Br)o1,C51037668_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2I)CCO1,C51582778_decoy,CP3A4,Decoy,0 +CC(Nc1ccc(SC#N)cc1F)=C1C(=O)NC(=S)NC1=O,C09875012_decoy,CP3A4,Decoy,0 +Cn1c(N)c(/N=C/c2cc(Br)ccc2O)c(=O)n(C)c1=O,C03251631_decoy,CP3A4,Decoy,0 +CCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1N,C40334564_decoy,CP3A4,Decoy,0 +Cc1n[nH]cc1CN[C@H]1C(=O)Nc2cc(F)c(Br)cc21,C42135309_decoy,CP3A4,Decoy,0 +CSc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1,C58916361_decoy,CP3A4,Decoy,0 +CC[C@@]1(c2ccc(NC(=O)c3ccc[nH]c3=O)cc2)CCC(=O)NC1=O,C54198626_decoy,CP3A4,Decoy,0 +O=C1NCCC[C@H]1N[C@H]1C(=O)Nc2cc(F)c(Br)cc21,C50395509_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2F)c(F)c1,C60496790_decoy,CP3A4,Decoy,0 +Cc1nc(C)c(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)s1,C61228454_decoy,CP3A4,Decoy,0 +O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\NCCO,C05889324_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1cccc2c1OCC(=O)N2,C62508129_decoy,CP3A4,Decoy,0 +N#C[C@H]1C2=C(CCCC2)S[C@@H]1NC(=O)CSC1=NC(=O)CC(N)=N1,C63289570_decoy,CP3A4,Decoy,0 +CC(C)n1c(=O)[nH]c([O-])c([C@@H]2NCCC3=c4ccccc4=[NH+][C@H]32)c1=O,C63372533_decoy,CP3A4,Decoy,0 +O=C([O-])c1c(S(=O)(=O)NC2CCOCC2)sc2c1CC[NH2+]C2,C67459685_decoy,CP3A4,Decoy,0 +C#CCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21,C04033478_decoy,CP3A4,Decoy,0 +COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1,C01206282_decoy,CP3A4,Decoy,0 +COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2sccc2C)C1=O,C04703153_decoy,CP3A4,Decoy,0 +CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1I,C01215481_decoy,CP3A4,Decoy,0 +C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O,C05881326_decoy,CP3A4,Decoy,0 +O=C(c1cccc(F)c1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1,C05070654_decoy,CP3A4,Decoy,0 +O=C1OC(c2ccccc2)=N/C1=C/c1cccn(-c2ccccc2)c1=S,C00707805_decoy,CP3A4,Decoy,0 +CN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S,C02406597_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1,C10219426_decoy,CP3A4,Decoy,0 +Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)CCC2,C10971557_decoy,CP3A4,Decoy,0 +COc1cc(Br)cc2cc(C(=O)CBr)c(=O)oc12,C11566770_decoy,CP3A4,Decoy,0 +CC1=Nn2c(nnc2C(F)F)S/C1=C\c1cc(Br)cs1,C12413109_decoy,CP3A4,Decoy,0 +Cn1c(-c2ccccc2)nn(Cn2c(=S)sc3ccccc32)c1=S,C01091669_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccccc1)n1c(I)cc2cnccc21,C16678146_decoy,CP3A4,Decoy,0 +C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)N1CCc2sccc2C1,C22398564_decoy,CP3A4,Decoy,0 +O=C(c1cc2c(s1)CCC2)N1CCN(Cc2ccc3c(c2)CCO3)CC1,C23761507_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cn1,C24362203_decoy,CP3A4,Decoy,0 +CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c3c(cccc13)CC2,C24662824_decoy,CP3A4,Decoy,0 +O=C1C[C@@H]2c3c(cccc31)CCN2S(=O)(=O)c1ccc(Br)cc1,C33811624_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccc2cccnc12)N1CCS[C@H]1c1ccccc1F,C35417014_decoy,CP3A4,Decoy,0 +C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1Cl,C37401658_decoy,CP3A4,Decoy,0 +CCc1nccn1S(=O)(=O)c1ccc(Br)cc1Br,C00714414_decoy,CP3A4,Decoy,0 +CCN1C(=C2C(=O)N(C)C(=S)N2c2ccccc2)C=Cc2ccccc21,C05127345_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccccc1Cl)N1CCN2CCc3ccccc3[C@H]2C1,C36125889_decoy,CP3A4,Decoy,0 +Cc1cccc(N2C(=O)C3=C4C[C@@H](C(C)C)OC[C@H]4SC3=NC2=S)c1,C38899359_decoy,CP3A4,Decoy,0 +CCOn1c(C)c(SC)c2c1-c1nccc(Br)c1C(=O)CC2,C39458952_decoy,CP3A4,Decoy,0 +CSc1cc(I)n2c(S(=O)(=O)C(C)C)cnc2c1,C39460096_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)c1cc(I)n2c(Cl)cnc2c1,C39463905_decoy,CP3A4,Decoy,0 +CS[C@@H]1CC[C@]2(C1)[C@H](F)CCCN2S(=O)(=O)Oc1ccccc1,C39511718_decoy,CP3A4,Decoy,0 +CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1,C39527354_decoy,CP3A4,Decoy,0 +CC[C@]1(C)CC2=C3C(=O)N(c4ccccc4)C(=S)N=C3S[C@H]2CO1,C39700627_decoy,CP3A4,Decoy,0 +CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1c(F)cc(F)cc1Br,C40433164_decoy,CP3A4,Decoy,0 +Cn1cc([C@@H]2CCCN2C(=O)c2ccccn2)c2c(Br)cccc21,C40821191_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1F,C45500479_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1F,C45500482_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1CC(=O)N(c2cc(C)c(I)c(C)c2)C1,C45889691_decoy,CP3A4,Decoy,0 +C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)c1nccs1,C48791948_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCc4ccccc43)CC2)s1,C49720033_decoy,CP3A4,Decoy,0 +C=C(C)CN1C(=O)/C(=C/c2cc3c(cc2OC)C[C@H](C)O3)SC1=S,C54499676_decoy,CP3A4,Decoy,0 +CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccccc2Br)c(=O)n1C,C55755084_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccs1)N1CCC(c2nc3ccccc3s2)CC1,C07305437_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2,C60388317_decoy,CP3A4,Decoy,0 +CC(=O)C1=C(C)C(C(=O)N2CCc3sccc3[C@H]2c2cccs2)=N[C@@H]1C,C39996681_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)COC4)n2)cc1,C50206140_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)N1CCc2sc(C(=O)N3CCCCCC3)cc2C1,C65201221_decoy,CP3A4,Decoy,0 +N#Cc1ccc(OS(=O)(=O)c2ccc(Br)s2)cc1F,C66903378_decoy,CP3A4,Decoy,0 +CSc1nc2ncn(Cc3cc(Br)ccc3F)c(=O)c2s1,C67007045_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(C(=O)N(C)c3ccc(S(C)(=O)=O)cc3)csc2C1,C67058492_decoy,CP3A4,Decoy,0 +CC[C@H]1c2ccsc2CCN1C(=O)C(=O)N(C)c1ccc(F)c(F)c1,C67367136_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1N(C)C(=O)C(=O)N1CCc2sccc2C1,C67367581_decoy,CP3A4,Decoy,0 +COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C,C03847915_decoy,CP3A4,Decoy,0 +O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Sc1ccc(Cl)cc1,C02505814_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1,C04144581_decoy,CP3A4,Decoy,0 +Fc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1,C04284143_decoy,CP3A4,Decoy,0 +CCSc1cc(C(F)(F)F)nc2c(Br)c(C(C)(C)C)nn12,C01039260_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)Oc2c(Br)cc(C=O)cc2Br)cc1,C03082790_decoy,CP3A4,Decoy,0 +C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3,C02275952_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(Br)cc1,C04578200_decoy,CP3A4,Decoy,0 +C=CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCCC1)Cc1ccccc1-2,C02372114_decoy,CP3A4,Decoy,0 +CCCCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(F)c(Cl)c1,C04883240_decoy,CP3A4,Decoy,0 +CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3,C01833910_decoy,CP3A4,Decoy,0 +C=CCn1c(SCc2ccc(C)cc2)nc2sc3c(c2c1=O)CCCC3,C05100667_decoy,CP3A4,Decoy,0 +CC1=N[C@H](C)[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1,C05285722_decoy,CP3A4,Decoy,0 +C[C@H]1[C@@H](C#N)N2C(c3ccccc3)=CC(c3ccccc3)=C[C@@]2(c2ccccc2)[C@@H]1C=O,C05370114_decoy,CP3A4,Decoy,0 +C[C@]12CC[C@H](OC(=O)/C=C/c3ccccc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C05696863_decoy,CP3A4,Decoy,0 +O=C1OC(c2ccccc2)=N/C1=C(/Sc1ccc(Cl)cc1)c1ccccc1,C02072376_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc1,C06566582_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cl)s1,C06926763_decoy,CP3A4,Decoy,0 +C=C(C)Cn1c(Sc2ccc(C)cc2)nc(=O)c2c3c(sc21)CCCC3,C01016420_decoy,CP3A4,Decoy,0 +CSc1ccc2c(c1)s/c(=N/C(=O)CCCSc1ccc(C)cc1)n2C,C09474231_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1,C09525351_decoy,CP3A4,Decoy,0 +CSCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(C)ccc21,C09563562_decoy,CP3A4,Decoy,0 +C=CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(SC)cc1,C12652845_decoy,CP3A4,Decoy,0 +C#CCn1/c(=N/C(=O)CCCSc2ccccc2)sc2cc(F)ccc21,C12629080_decoy,CP3A4,Decoy,0 +Cn1/c(=N/C(=O)CCSCc2ccccc2)sc2c3ccccc3ccc21,C12310681_decoy,CP3A4,Decoy,0 +CSc1ccc2c(c1)s/c(=N\C(=O)CCSCc1ccccc1)n2C,C12310799_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1cc(C2SCCS2)ccc1Sc1ccc(Br)cc1,C03120399_decoy,CP3A4,Decoy,0 +Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2nc3cc(Cl)ccc3s2)cc1,C16291448_decoy,CP3A4,Decoy,0 +O=c1oc2ccccc2cc1-c1csc(SCc2ccc(Cl)c(Cl)c2)n1,C16525688_decoy,CP3A4,Decoy,0 +Fc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(Cl)cc4)nc32)cc1,C20602957_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H]1N=C(c2ccc(Br)cc2)[C@H]2[C@@H](c3ccccc3)N12,C25504210_decoy,CP3A4,Decoy,0 +C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1,C17078784_decoy,CP3A4,Decoy,0 +CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc2c1CCCC2,C17079577_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(SCC(C)C)nc3sc4c(c3c2=O)CCCC4)c1,C32604571_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccs1,C32914605_decoy,CP3A4,Decoy,0 +Cc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2C)cc1,C36248188_decoy,CP3A4,Decoy,0 +CCCCSC1=NC(=O)[C@H]2C(=N1)c1ccccc1C[C@@]2(C)C1CCCCC1,C38597135_decoy,CP3A4,Decoy,0 +C=CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(SC)ccc21,C39716821_decoy,CP3A4,Decoy,0 +CSc1ccc2c(c1)s/c(=N/C(=O)c1ccc(SC(C)C)cc1)n2C,C39735523_decoy,CP3A4,Decoy,0 +C=CCn1/c(=N/C(=O)c2ccccc2SC)sc2cc(Br)ccc21,C36685723_decoy,CP3A4,Decoy,0 +CCCO[C@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@H]2CC[C@]2(C)[C@@H](OCCC)CC[C@H]32)C1,C39738316_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc(-c2ccc(Cl)cc2)cs1,C39885001_decoy,CP3A4,Decoy,0 +N#CC(C#N)=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(Br)cc1,C40147091_decoy,CP3A4,Decoy,0 +CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(Cl)c(C)c1,C40890716_decoy,CP3A4,Decoy,0 +O=S(=O)(/N=c1\ssc(Sc2ccccc2)c1Cl)c1ccccc1,C43464876_decoy,CP3A4,Decoy,0 +CCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43764057_decoy,CP3A4,Decoy,0 +CCOc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3F)o2)cc1,C59714099_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(F)c(F)c1,C59925501_decoy,CP3A4,Decoy,0 +CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccccc2C)cs1,C59929716_decoy,CP3A4,Decoy,0 +FC(F)(F)c1ccc(-c2nc(CSc3ccc(Cl)nn3)cs2)cc1,C55544190_decoy,CP3A4,Decoy,0 +Cc1noc2nc(-c3cccs3)cc(C(F)(F)F)c12,C03198875_decoy,CP3A4,Decoy,0 +N#Cc1cccc(Oc2ccc(Br)cc2)c1C#N,C00482203_decoy,CP3A4,Decoy,0 +CC[C@H]1C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccccc1,C00376936_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2c3ccccc3C=CN2C(=O)c2ccccc2)o1,C04991360_decoy,CP3A4,Decoy,0 +CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C)s1,C05046799_decoy,CP3A4,Decoy,0 +Cc1c(F)c(F)c(N2N=C(C(C)(C)C)CC2=O)c(F)c1F,C05212021_decoy,CP3A4,Decoy,0 +O=C1c2ccccc2CC[C@@H]1Sc1nc2ccccc2o1,C05428936_decoy,CP3A4,Decoy,0 +N#C[C@@H](C(=O)C1CCCCC1)c1nc2ccccc2s1,C05578527_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc(F)c(F)c1)N1CCCCCCC1,C03259422_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccc2ccccc2c1)c1cccs1,C05605137_decoy,CP3A4,Decoy,0 +O=[N+]([O-])/C(Br)=C/c1ccccc1Br,C06513689_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccco1)N1CCCSc2ccccc21,C07718893_decoy,CP3A4,Decoy,0 +Cc1csc(Sc2ncnc3sc(C)c(C)c23)n1,C07983863_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(/C=C/C=C2/OC(=O)c3ccccc32)cc1,C01283173_decoy,CP3A4,Decoy,0 +CC(C)/N=c1\ccccn1C(=O)c1ccc(Br)cc1,C10798189_decoy,CP3A4,Decoy,0 +CC(C)/N=c1\ccccn1C(=O)/C=C/c1ccc(F)cc1,C10798390_decoy,CP3A4,Decoy,0 +N#C/C(=C/N1CCc2ccccc21)c1nc2ccccc2s1,C11612400_decoy,CP3A4,Decoy,0 +N#C[C@@H](c1ccc(Br)cc1)c1ccc(Cl)nn1,C15442829_decoy,CP3A4,Decoy,0 +CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C)cc1,C16948897_decoy,CP3A4,Decoy,0 +Cc1nn(C)c(O[C@H]2C[C@@H](C)CC(C)(C)C2)c1CCl,C20517536_decoy,CP3A4,Decoy,0 +CN(C(=O)[C@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1,C26963989_decoy,CP3A4,Decoy,0 +CC(C)c1cc(Br)c2occ(C=O)c(=O)c2c1,C33495172_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(-c3ccsc3)cc(C(=O)N3CCCC3)c2c1,C35218043_decoy,CP3A4,Decoy,0 +Cc1sc2nc(C3CC3)nc(N3CCC(C)CC3)c2c1C,C35552773_decoy,CP3A4,Decoy,0 +CC(C)c1nn(-c2ccccc2Br)cc1C=O,C35778976_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1-c1nc(CCl)no1,C36830538_decoy,CP3A4,Decoy,0 +O=C(/C=C(/[O-])c1ccccc1Br)c1ccco1,C36889836_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H]1C(=O)c1cc2c(cc1Br)OCCCO2,C37364623_decoy,CP3A4,Decoy,0 +O=C1O[C@]2(C(=O)c3ccc(Br)cc3)CCCC[C@H]12,C37634109_decoy,CP3A4,Decoy,0 +COC(=O)/C(=C1/Oc2ccc(C)cc2S1)C(F)(F)F,C01857183_decoy,CP3A4,Decoy,0 +C[C@H](N(C)C(=O)c1cnc(Cl)c(Cl)c1)C(C)(C)C,C37984233_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O,C38320891_decoy,CP3A4,Decoy,0 +CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccccc2F)C1,C37975647_decoy,CP3A4,Decoy,0 +CCc1cc(Oc2ccc(C)cc2Br)ncn1,C40764977_decoy,CP3A4,Decoy,0 +CC(C)n1cc(C=O)c(-c2ccc(Br)cc2)n1,C40926242_decoy,CP3A4,Decoy,0 +CCc1nc(N2CCCC[C@@H]2C)c2c3c(sc2n1)CCC3,C41090204_decoy,CP3A4,Decoy,0 +C[C@@H](Cl)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)o1,C41673180_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C)C(=O)C2(C#N)CCCCCC2)cc1,C44765295_decoy,CP3A4,Decoy,0 +Clc1cc(-c2csc(-c3cnccn3)n2)c(Cl)s1,C48640700_decoy,CP3A4,Decoy,0 +Cc1ccccc1SCc1cc(=O)n2ccsc2n1,C48835253_decoy,CP3A4,Decoy,0 +CC(C)(C)c1nnc(-c2ccc(F)cc2Br)o1,C50309255_decoy,CP3A4,Decoy,0 +Cc1ccsc1[C@@H](Cl)c1ccc2c(c1)n(C)c(=O)n2C,C51392880_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(C(=O)c2cc3c(cc2Cl)OCCO3)c1,C52981461_decoy,CP3A4,Decoy,0 +CCN1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1,C16579941_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2ccnc2S[C@@H]2CCCCC2=O)c1,C58055500_decoy,CP3A4,Decoy,0 +C[C@H](N(C)C(=O)c1cc(Cl)nc(Cl)c1)C(C)(C)C,C37982946_decoy,CP3A4,Decoy,0 +ClC1=NC(c2ccccc2)=N[C@H]1/C=N/C1CCCCC1,C63581798_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)/N=[S@](\C)c2ccccc2)cc1,C13154277_decoy,CP3A4,Decoy,0 +Cc1cc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2,C00217120_decoy,CP3A4,Decoy,0 +Fc1cc(F)cc(Oc2ncc(Br)cn2)c1,C67120347_decoy,CP3A4,Decoy,0 +CC[NH+](CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1,C03999254_decoy,CP3A4,Decoy,0 +Cc1cccc(Cn2cccc2C[NH+](Cc2cccc(F)c2F)[C@@H](C)C(C)C)c1,C04735735_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3ccc(Cl)cc3)sc2c1,C05121582_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(C(=O)N(CCC[NH+](C)C)c2nc3c(F)cc(F)cc3s2)c1,C05122692_decoy,CP3A4,Decoy,0 +Cc1cccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccc(Cl)cc3)nc12,C05239611_decoy,CP3A4,Decoy,0 +Fc1ccc(-c2noc(C[NH+]3CCc4sccc4[C@H]3c3ccccc3)n2)cc1,C08944390_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccc(Cl)cc2s1,C10461283_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CC(=O)N(CCC[NH+](C)C)c2nc3c(C)c(Cl)ccc3s2)c1,C10698601_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(sc3nc(SCCC(C)C)n(-c4ccc(C)cc4)c(=O)c23)C1,C01808110_decoy,CP3A4,Decoy,0 +Cc1cc(Cl)cc2sc(N(CC[NH+](C)C)C(=O)c3ccc(Cl)s3)nc12,C12493281_decoy,CP3A4,Decoy,0 +CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@@H]4C=C(OC(=O)CC[NH+]5CCCC5)CC[C@@]4(C)[C@@H]3CC[C@]12C,C15958317_decoy,CP3A4,Decoy,0 +C[C@H](c1nnc(SCc2ccccc2Cl)n1-c1ccc(Cl)cc1)[NH+](C)C,C23483429_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)c1ccccc1Cl,C23871762_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1,C33068942_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2ccccc2)Cc2cc(=O)n3c4c(sc3n2)CCCC4)cc1,C33068952_decoy,CP3A4,Decoy,0 +CC(C)C[NH+]1CCN(c2nc(-c3ccccc3)nc3sc4c(c23)CCC4)CC1,C34756898_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(c2nc(SCc3ccccc3)nc3scc(-c4ccccc4)c23)CC1,C34774443_decoy,CP3A4,Decoy,0 +CCOc1ccc(C[NH+]2CCCn3cccc3[C@@H]2c2c(C)cc(C)cc2C)cc1,C35791709_decoy,CP3A4,Decoy,0 +Cc1ccccc1C[NH+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1,C35841115_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1,C36343564_decoy,CP3A4,Decoy,0 +CCOc1ccc(C[NH+]2CCCn3cccc3[C@H]2c2ccc(OCC)cc2)cc1,C36347744_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1,C36347871_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2c3cccn3CCC[NH+]2Cc2cccc(C(F)(F)F)c2)c1OC,C36347955_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(C)c(C)ccc2s1,C36638213_decoy,CP3A4,Decoy,0 +COc1cc(C[NH+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc(OC)c1,C37522472_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c([C@H]2[C@@H]3N=C4C=CC=C[C@H]4[C@@H]3CC[NH+]2Cc2ccc(Cl)s2)c1,C38733680_decoy,CP3A4,Decoy,0 +CCc1ccc(N(Cc2ccc(F)cc2)C[C@H]2C=c3ccc(OC)cc3=[NH+]C2=O)cc1,C38825835_decoy,CP3A4,Decoy,0 +Cc1cc(Cl)cc2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)c(F)c3)nc12,C38837595_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccccc2C)c(C)c1,C38890393_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)c2ccccc2Cl)c1,C38898660_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(C(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1)C=2,C38899563_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2ccccc2Cl)cc1,C38899590_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@H](CN(C(=O)c1ccccc1)c1ccccc1C)C(=O)[NH+]=2,C38905934_decoy,CP3A4,Decoy,0 +Cc1cccc(N(C[C@@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)C2CCCCC2)c1,C38906074_decoy,CP3A4,Decoy,0 +Cc1cccc(N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)C2CCCCC2)c1,C38906075_decoy,CP3A4,Decoy,0 +Cc1cccc(C(=O)N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)c2ccc(C)c(C)c2)c1,C38917564_decoy,CP3A4,Decoy,0 +Cc1cccc(C(=O)N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)c2ccccc2)c1,C38925855_decoy,CP3A4,Decoy,0 +Cc1cccc(N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)c2ccccc2C)c1,C38932232_decoy,CP3A4,Decoy,0 +CCCN(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)c1ccc(C(C)(C)C)cc1,C38959474_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)c2ccccc2C)c1,C39012086_decoy,CP3A4,Decoy,0 +S=C1N=[NH+][C@H](c2ccccc2Cl)N1/N=C/c1ccc(-c2ccccc2)cc1,C39012618_decoy,CP3A4,Decoy,0 +C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccccc2OCc2ccccc2)CC1,C39199781_decoy,CP3A4,Decoy,0 +C1=NN=C(c2ccccc2)[C@@H]1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,C39938261_decoy,CP3A4,Decoy,0 +CCCN1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)[NH+]=C1CCc1ccccc1,C21032114_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)c2cccc(C)c2)cc1,C63395678_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccs2)cc1,C63503172_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc(C)cc2)cc1,C63561822_decoy,CP3A4,Decoy,0 +c1ccc(C(c2ccccc2)N2CCN(CC3=c4ccccc4=[NH+]C3)CC2)cc1,C63641559_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCC(F)(F)F)ccc1F,C64143626_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)/C=C/c2ccccc2)cc1,C64427062_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](CC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C,C03849647_decoy,CP3A4,Decoy,0 +Cc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c1C,C01210209_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1,C04425560_decoy,CP3A4,Decoy,0 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+CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2,C05145801_decoy,CP3A4,Decoy,0 +CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(C#N)c3)cc2C1,C07403060_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)cc1,C07797024_decoy,CP3A4,Decoy,0 +CNc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1,C08175168_decoy,CP3A4,Decoy,0 +CCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1,C08889977_decoy,CP3A4,Decoy,0 +C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(F)c(F)c1F,C09074849_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1,C09234289_decoy,CP3A4,Decoy,0 +O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1,C10462392_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1,C13000277_decoy,CP3A4,Decoy,0 +O=c1[nH]c2cc3c(cc2cc1CNc1ccc(Oc2ccccc2)cc1)OCCO3,C13561331_decoy,CP3A4,Decoy,0 +C[C@@H](OC(=O)c1ccc(Br)s1)C(=O)NC(=O)NC1CCCC1,C16800307_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)cc1,C17027319_decoy,CP3A4,Decoy,0 +CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21,C20757104_decoy,CP3A4,Decoy,0 +C[C@@H]1Sc2ccc(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)cc2NC1=O,C21244200_decoy,CP3A4,Decoy,0 +C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccc(Cl)cc1,C24521831_decoy,CP3A4,Decoy,0 +C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@@H]2CCCc3ccccc32)C1=O,C29109760_decoy,CP3A4,Decoy,0 +O=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)N[C@@H]1CCc2ccccc21,C33287474_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)Nc1ncc(Cl)cc1Cl,C18283588_decoy,CP3A4,Decoy,0 +CC[C@@H](C(=O)Nc1nn(C)c2c1[C@@H](c1ccccc1)CC(=O)N2)c1ccccc1,C38519748_decoy,CP3A4,Decoy,0 +Cn1c(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc2sccc21,C40762612_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(NC(=O)CCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1,C41187407_decoy,CP3A4,Decoy,0 +O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1cc(=O)c2ccccc2[nH]1,C41786553_decoy,CP3A4,Decoy,0 +C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=Cc2cc(Cl)ccc2OC1,C16181600_decoy,CP3A4,Decoy,0 +COc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)cc1,C46053957_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2,C46562147_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccccc1,C46634343_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1,C12347940_decoy,CP3A4,Decoy,0 +CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1,C51617002_decoy,CP3A4,Decoy,0 +Cc1csc(NC(=O)C2CCN(C(=O)N[C@H](C)Cc3ccsc3)CC2)n1,C52582392_decoy,CP3A4,Decoy,0 +C[C@H](CCc1ccco1)NC(=O)Nc1cc2c(cc1Br)OCCO2,C53978000_decoy,CP3A4,Decoy,0 +CC1=Nc2nc(SCc3ccccc3F)nn2[C@H](c2cccc(F)c2)[C@H]1C(N)=O,C54219808_decoy,CP3A4,Decoy,0 +C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1)C(C)C,C05563157_decoy,CP3A4,Decoy,0 +Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1,C57498531_decoy,CP3A4,Decoy,0 +CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(C)cc1,C11969341_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1,C57741142_decoy,CP3A4,Decoy,0 +CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1,C57841837_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)c1OCc1cccc(C)c1,C21788342_decoy,CP3A4,Decoy,0 +CCCc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1,C58136136_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)[C@]1(C)CC1(Cl)Cl,C58364818_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N2CCCc3cc(F)c(F)cc32)cc(Cl)c1OCC(N)=O,C31927672_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1,C59515640_decoy,CP3A4,Decoy,0 +CCc1c(C)nc(SC[C@@H]2NC(c3ccc(Br)cc3)=NO2)[nH]c1=O,C64392447_decoy,CP3A4,Decoy,0 +COc1cc(Br)c(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1OC,C65416299_decoy,CP3A4,Decoy,0 +COc1ccccc1CC(=O)NNC(=O)C1c2ccccc2Oc2ccccc21,C55351954_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c1,C66237789_decoy,CP3A4,Decoy,0 +CC[C@H](C)n1nccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br,C66661264_decoy,CP3A4,Decoy,0 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+O=C(NCc1cc2ccccc2s1)c1ccc(C[NH+]2CCCCCCC2)[nH]c1=O,C11814612_decoy,CP3A4,Decoy,0 +COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2ccc(C#CC(C)(C)O)cc2)cc1,C12298421_decoy,CP3A4,Decoy,0 +C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H](NC(=O)C[NH+]3CCOCC3)CC[C@@H]12,C12661256_decoy,CP3A4,Decoy,0 +O=C(CC[NH+]1CCC[C@H](C(F)(F)F)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2,C12853425_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc3nc([C@@H](C)[NH+]4CCC(NC(=O)c5ccccc5)CC4)[nH]c(=O)c23)C1,C14708290_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[NH+]1Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1,C14882628_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1,C20083493_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC(C)(C)[NH2+]C(C)(C)C2)C1,C20713725_decoy,CP3A4,Decoy,0 +COc1ccc(-c2ccc([C@H]3NC(=O)c4c(sc5c4CC[NH+](C)C5)N3)o2)cc1Cl,C22078650_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N[C@H](C)c1cc2ccccc2o1)[NH+]1CCN(c2ccccc2O)CC1,C25520855_decoy,CP3A4,Decoy,0 +Cc1cccc([NH+]2CCN(CCNC(=O)c3n[nH]c4c3CCc3ccccc3-4)CC2)c1C,C15772833_decoy,CP3A4,Decoy,0 +Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)c(C)c(=O)oc2c1,C06660095_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1,C02348226_decoy,CP3A4,Decoy,0 +Cc1cc(NCC(=O)N/N=C/C2=c3ccccc3=[NH+]C2)ccc1I,C39167734_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2)C(C)(C)C,C39684676_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2)C(C)(C)C,C39684677_decoy,CP3A4,Decoy,0 +Cc1cc(I)ccc1NCC(=O)N/N=C/C1=c2ccccc2=[NH+]C1,C39775290_decoy,CP3A4,Decoy,0 +O=C(N/N=C/C1=c2ccccc2=[NH+]C1)[C@@H]1CNN(c2ccccc2)[C@@H]1C(F)(F)F,C39775364_decoy,CP3A4,Decoy,0 +CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1C(=O)[NH+]=c2ccccc2=C1O,C01514203_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(N)OC2=c3ccccc3=[NH+]C(=O)[C@@H]2[C@@H]1c1ccc(SC)cc1,C39921264_decoy,CP3A4,Decoy,0 +Cn1nc(C2CCCC2)cc1[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=O)Nc1ccccc1,C43526020_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)[C@@H]1CSC[C@@H](c2cc(-c3ccccc3)no2)[NH2+]1)c1ccccc1,C44164990_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H]2C[C@](C)(CN2c2cncc(/C(N)=[NH+]/N=C/c3ccc(Br)cc3)n2)C1,C34631272_decoy,CP3A4,Decoy,0 +COc1ccc2[nH]cc(C3=CC[NH+]([C@H](C)C(=O)Nc4ccccc4F)CC3)c2c1,C47257492_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1,C49003148_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1ccc(Br)cc1Cl,C43420395_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1COc2ccccc2C1)Nc1ccccc1C[NH+]1CCSCC1,C61788019_decoy,CP3A4,Decoy,0 +Nc1nc(COC(=O)CC2=c3ccccc3=[NH+]C2)nc2sc3c(c12)CCCCC3,C63182481_decoy,CP3A4,Decoy,0 +Cc1cc(O)c2c(c1)OC(=O)[C@@H](CC(=O)NCCC1=c3cc(F)ccc3=[NH+]C1)[C@@H]2C,C63490951_decoy,CP3A4,Decoy,0 +Cc1cc(O)c2c(c1)OC(=O)[C@@H](CC(=O)NCCC1=c3cc(F)ccc3=[NH+]C1)[C@H]2C,C63490955_decoy,CP3A4,Decoy,0 +CC1=NN([C@H]2Nc3ccccc3S2)C(=O)/C1=C(\C)NCCC1=c2ccccc2=[NH+]C1,C63491307_decoy,CP3A4,Decoy,0 +CNC(=O)Nc1cc(C)cc2c1=[NH+][C@@H](C(=O)N1CCCCCC1)C=2c1ccccc1,C63746349_decoy,CP3A4,Decoy,0 +C[C@@H]1CC(NC(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)=NO1,C64002953_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1CS[C@H]2NC3=C(CCCC3)C(=O)N12)NCCC1=c2ccccc2=[NH+]C1,C64652831_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NC2=c3cc(C)ccc3=[NH+][C@@H]2C(=O)NCc2ccc(C)o2)cc1,C64677125_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NC2=c3cc(C)ccc3=[NH+][C@H]2C(=O)NCc2ccc(C)o2)cc1,C64677126_decoy,CP3A4,Decoy,0 +O=C(NC1=c2ccccc2=[NH+][C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1,C64747053_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2C)cc1,C65074669_decoy,CP3A4,Decoy,0 +Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NCC[NH+]=C2NC1CCCCC1,C65074739_decoy,CP3A4,Decoy,0 +CCOc1ccc(C2=NC3(CC[NH+](C(C)C)CC3)N[C@H](c3ccccc3O)C2)cc1,C65297900_decoy,CP3A4,Decoy,0 +COc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1,C65298100_decoy,CP3A4,Decoy,0 +CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1,C65298112_decoy,CP3A4,Decoy,0 +C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1,C52559220_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=[NH+]\c1cc(F)ccc1F,C67298624_decoy,CP3A4,Decoy,0 +CCCC[n+]1c(N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21,C02486156_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CCc2ccccc2)c1N,C08385365_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)c2)CC1,C21897283_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)NN1C(=O)NC2(CCCCC2)C1=O,C22797510_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCC[NH+]1CC(=O)N1CC(=O)Nc2ccccc21,C24214894_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1)Nc1ccccc1,C27126660_decoy,CP3A4,Decoy,0 +COC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21,C04399675_decoy,CP3A4,Decoy,0 +COc1ccc(Br)c(C(=O)N2C[C@H](C(=O)NC[C@H]3CCCO3)C3(CC[NH2+]CC3)C2)c1,C39604847_decoy,CP3A4,Decoy,0 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+Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)nc12,C09914608_decoy,CP3A4,Decoy,0 +CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)cc1,C10100361_decoy,CP3A4,Decoy,0 +Cc1cc(Cl)cc2sc(N(CCC[NH+](C)C)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12,C10785878_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)CS(=O)(=O)c1ccccc1)c1nc2ccc(SC)cc2s1,C10817150_decoy,CP3A4,Decoy,0 +CC(C)Sc1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1,C10818488_decoy,CP3A4,Decoy,0 +N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1,C11659954_decoy,CP3A4,Decoy,0 +CCO[C@@H](c1ccccc1)c1ccc2c(c1)C[NH+](Cc1ccc(Sc3nncn3C)o1)CCO2,C14980887_decoy,CP3A4,Decoy,0 +CCn1c(C[NH+]2CCCCC[C@H]2c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21,C15105701_decoy,CP3A4,Decoy,0 +c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCN(CC[NH+]5CCCC5)CC4)c23)cc1,C22799528_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc(-c2nn(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(=S)n2C)cc1,C22924542_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1,C23244817_decoy,CP3A4,Decoy,0 +CCC[NH+](CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1nnc(-c2cccs2)o1,C24071785_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1nnc(-c2ccccc2)o1,C26053565_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1C[NH+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1,C32510898_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1C[NH+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1,C32510899_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)cc(CSc3nc4ccccc4c(=O)n3CC[NH+](C(C)C)C(C)C)nc12,C32857455_decoy,CP3A4,Decoy,0 +Cc1nc(S[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccccc2)n(C)c(=O)c1Cc1ccc(F)cc1,C35158231_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1,C35486649_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1,C35486945_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1,C35486953_decoy,CP3A4,Decoy,0 +CN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3)C1CCCCC1,C36803519_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CC[NH+](C)CC2)SC1=S,C33812697_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cc(OC)ccc1OC,C38714633_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(Br)c1,C38726246_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1ccc(Br)cc1,C38726250_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nc2ccc(F)cc2s1,C36641319_decoy,CP3A4,Decoy,0 +CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12,C36641323_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)c2cccc(C)c2C)cc(OC)c1OC,C38936277_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2C=c3cc(OC)ccc3=[NH+]C2=O)cc1,C39325043_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)cc1,C39325358_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nc2ccccc2c1=O)C(C)C,C21336953_decoy,CP3A4,Decoy,0 +CC(C)N(C(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1,C42561343_decoy,CP3A4,Decoy,0 +COCCN1CC[NH+]([C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)CC1,C23374485_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c(S[C@H](C)C(=O)C3=c4ccccc4=[NH+]C3)nnc2-c2ccccc2OC)cc1,C44662565_decoy,CP3A4,Decoy,0 +CCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC(C)C)c(OC)c2)C1=O,C63140527_decoy,CP3A4,Decoy,0 +CCCCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2CCc2ccccc2)C1=O,C63141580_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(C2=c3ccccc3=[NH+]C2)n1C1CC1)N1CCN(c2ccc(F)cc2)CC1,C63209021_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c(SCC(=O)C3=c4ccccc4=[NH+][C@H]3C)nnc2-c2ccccc2)cc1OC,C39940673_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)c1OC,C63374016_decoy,CP3A4,Decoy,0 +CCOc1cc(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccnc2)cc(OCC)c1OCC,C63697714_decoy,CP3A4,Decoy,0 +C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnc(C2=c3ccccc3=[NH+]C2)n1C1CC1,C63893055_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1,C00632694_decoy,CP3A4,Decoy,0 +COc1ccc(N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)ccc2C)cc1,C08882580_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(S(=O)(=O)NCCc2nnc(S(=O)(=O)Cc3ccccc3Cl)o2)c1,C09025430_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N[C@H]1CCS(=O)(=O)C1,C09544563_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(OC)c(OC)c(OC)c2)c1,C09560086_decoy,CP3A4,Decoy,0 +C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1,C09553261_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1NC(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1C)oc1ccccc12,C10242744_decoy,CP3A4,Decoy,0 +Cc1nc(/C=C/C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cs1,C10828402_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc(N2CCCC2=O)cc1,C12377103_decoy,CP3A4,Decoy,0 +COc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4ccc(C)cc4)o3)CC2=O)cc1Cl,C12415246_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3c2=O)cc1,C02693215_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c(OC)c1OC,C13567470_decoy,CP3A4,Decoy,0 +CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br,C14010761_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1,C15031020_decoy,CP3A4,Decoy,0 +COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1OC,C15307015_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)sc(C)c1C,C16006799_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1,C16186928_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C,C16684276_decoy,CP3A4,Decoy,0 +Cc1nn(C)c(C)c1NC(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1,C17724639_decoy,CP3A4,Decoy,0 +CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc(COc2ccc(C)cc2)n1,C18094827_decoy,CP3A4,Decoy,0 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+CC(C)[NH+](CC(N)=O)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2,C08532745_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)Cc1ccc(N2CCCCC2)cc1,C08779819_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1,C09390606_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(sc(NC(=O)CCCSc3ccc(C)cc3)c2C(N)=O)C1,C09472929_decoy,CP3A4,Decoy,0 +O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1,C03429675_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1,C09530735_decoy,CP3A4,Decoy,0 +C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1,C10223559_decoy,CP3A4,Decoy,0 +C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1,C10223589_decoy,CP3A4,Decoy,0 +NC(=O)c1ccc2c3c1CCC[C@]3(CCCC[NH+]1CC=C(c3ccccc3)CC1)C(=O)N2,C13473720_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2,C14548347_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)[NH2+][C@@]23C(=O)Nc2c(C)cc(C)cc23)cc1,C15972191_decoy,CP3A4,Decoy,0 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+C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](C)C1CCCCC1)c1cccc2ccccc12,C43222841_decoy,CP3A4,Decoy,0 +CCCCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@@H](O)[C@H]1[C@@H]2C,C43548592_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4c(C)cccc34)C3(CC[NH2+]CC3)C2)n(C(C)(C)C)n1,C44728477_decoy,CP3A4,Decoy,0 +COCC[NH2+]Cc1cccc(/C=C/c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)n1,C49070617_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(N)cc(Br)cc1Br,C49192993_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1,C58433996_decoy,CP3A4,Decoy,0 +CCCCn1c(SCc2nc(N)nc(Nc3ccccc3OC)n2)[nH+]c(C)c1C,C58604009_decoy,CP3A4,Decoy,0 +COc1cc(Br)cc2cc(C(N)=O)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12,C59170365_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1,C59935381_decoy,CP3A4,Decoy,0 +CC1=CC(=O)N2[C@@H](N=C(NCCC3=c4ccccc4=[NH+]C3)N[C@H]2c2ccc(C)cc2)N1,C63279466_decoy,CP3A4,Decoy,0 +CN[C@H]1NN=C(SCC(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccc(OC)cc2)S1,C63893108_decoy,CP3A4,Decoy,0 +Cc1cnc(CC[NH2+]C[C@H]2CN(c3ccc(F)cc3)N[C@@H]2c2ccccc2Cl)[nH]1,C64044026_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1,C64540072_decoy,CP3A4,Decoy,0 +CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1,C66110100_decoy,CP3A4,Decoy,0 +[NH2+]=C(N/N=C/c1ccccc1O)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O,C04017545_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(C)c(C)c2)ccc1N(C)C,C04781052_decoy,CP3A4,Decoy,0 +Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C,C07241643_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1,C08995772_decoy,CP3A4,Decoy,0 +CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC[C@@H]2c2nc3ccccc3s2)n1,C09223048_decoy,CP3A4,Decoy,0 +CCCC/[NH+]=C/[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@H]3C=CC(=O)O3)CC[C@@]12O,C12657975_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,C13006213_decoy,CP3A4,Decoy,0 +C[C@@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CC(=O)Nc2ccccc21,C13128580_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2cc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)c(-c3cccc(C)c3)n2)cc1,C15079946_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@H]2C[C@@H](CCSC)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1,C15971860_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C[C@H]3CCCO3)sc3c2CCC3)cc1,C16193290_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1O)N2,C20694761_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(Br)c1,C32542144_decoy,CP3A4,Decoy,0 +C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2)c2c(N)n(-c3cccc(F)c3)nc2n1,C35577239_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2NN(c3ccccc3)C[C@H]2C[NH2+]CCSc2cnn[nH]2)c(F)c1,C39479189_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](CNS(=O)(=O)C(C)C)N2CC[NH2+][C@H](c3ccccc3O)C2)cc1,C39531564_decoy,CP3A4,Decoy,0 +CS[C@H]1C[NH+]([C@@H](CNO)c2ccc(S(=O)(=O)Oc3ccccc3)cc2)CCN1,C39534278_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccccc12)[C@H]1CN(C(=O)c2c(F)cccc2F)CC12CC[NH2+]CC2,C39597588_decoy,CP3A4,Decoy,0 +C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,C39631587_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(C(=O)N2C[C@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1F,C39631639_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)N[C@H](C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1F,C39631646_decoy,CP3A4,Decoy,0 +Cc1ccsc1C(=O)N1C[C@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,C39632093_decoy,CP3A4,Decoy,0 +O=C(NCCNc1ccccc1)[C@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C39655254_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CN(C(=O)[C@@H]4COc5ccccc5O4)CC34CC[NH2+]CC4)c2c1,C39656103_decoy,CP3A4,Decoy,0 +CCCC[C@H](C)C(=O)N1C[C@H](C(=O)NCc2cc3ccccc3[nH]2)C2(CC[NH2+]CC2)C1,C39671545_decoy,CP3A4,Decoy,0 +Cc1cccc2c(CCNC(=O)[C@H]3CN(C(=O)c4ccccc4)CC34CC[NH2+]CC4)c[nH]c12,C39684114_decoy,CP3A4,Decoy,0 +Cc1cccc2c(CCNC(=O)[C@@H]3CN(C(=O)C4CCC4)CC34CC[NH2+]CC4)c[nH]c12,C39684119_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=[NH+]CCN2)cc1,C40401639_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=[NH+]CCCN2)cc1,C40893434_decoy,CP3A4,Decoy,0 +O=C(N[C@H]1CCCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1,C43223205_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H]([NH2+]C2CCC2)[C@]2(CCC(=O)NCCN3CCOCC3)CC[C@](C)(O)C[C@@H]12,C43547733_decoy,CP3A4,Decoy,0 +C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@H]([C@H](C)C(=O)NCCOC)[C@@H](O)[C@H]1[C@@H]2C,C43548239_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3c(C(C)C)cccc3C(C)C)sc2[nH+]1,C14151833_decoy,CP3A4,Decoy,0 +O=C(NCCNc1ncc(Cl)cc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1,C59264562_decoy,CP3A4,Decoy,0 +N#Cc1c(NC(=O)C[NH+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)sc2c1CCCC2,C59402944_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H]1c1ccc(C[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C2CC2)o1,C59403275_decoy,CP3A4,Decoy,0 +CC(C)(C)[NH2+]CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1,C59435191_decoy,CP3A4,Decoy,0 +O=C(C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1,C59447194_decoy,CP3A4,Decoy,0 +CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccccc1C[NH+]1CCC[C@@H](C(N)=O)C1,C60331551_decoy,CP3A4,Decoy,0 +C[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(=O)NC(C)(C)C,C39796079_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N[C@H]1Nc2ccc(C(=O)NCCC3=c4cc(F)ccc4=[NH+]C3)cc2S1,C63281127_decoy,CP3A4,Decoy,0 +Cc1[nH+]c(SCC(=O)N[C@H]2N=C(c3ccccc3)CS2)[nH]c1Cc1ccc(O)cc1,C63526767_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1N=C(NCCC2=c3ccccc3=[NH+]C2)N[C@@H]2N[C@@H](C)CC(=O)N21,C63633453_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2NNS[C@@H]2C(=O)NCCC2=c3cc(Cl)ccc3=[NH+]C2)cc1,C63818159_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCN1C[C@H](C(=O)N[C@@H]3NN[C@H](CC(C)C)S3)CC1=O)C[NH+]=2,C63941179_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCN1C[C@@H](C(=O)N[C@@H]3NN[C@H](C(C)C)S3)CC1=O)C[NH+]=2,C63941190_decoy,CP3A4,Decoy,0 +O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)CC1=c2ccccc2=[NH+]C1,C64042835_decoy,CP3A4,Decoy,0 +NC(=O)N[C@H](CC(=O)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1)c1ccccc1Cl,C64182124_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)NC[C@@H](C2=c3ccccc3=[NH+]C2)c2ccccc2)NN(c2ccccc2)N1,C64338180_decoy,CP3A4,Decoy,0 +C=C1C=C([O-])N2C(=NC(NCCC3=c4cc(OC)ccc4=[NH+]C3)=[NH+][C@H]2c2ccccc2)N1,C64480063_decoy,CP3A4,Decoy,0 +C[C@H]1c2c(O)cc(O)cc2OC(=O)[C@H]1CC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,C64600476_decoy,CP3A4,Decoy,0 +Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[NH2+]CCCCn1ccc(=O)c(O)c1C)O2,C03975702_decoy,CP3A4,Decoy,0 +[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1,C01825331_decoy,CP3A4,Decoy,0 +CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OCC)cc1)CC[C@H](C)C2,C04554387_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C(C)C)sc3c2CC[C@@H](C)C3)cc1,C04554388_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)Cc1ccc(Br)cc1,C03540539_decoy,CP3A4,Decoy,0 +Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1,C06589943_decoy,CP3A4,Decoy,0 +Cc1cc(/C=N/NC(=O)c2[nH+]c(Cl)c(Cl)c(N)c2Cl)c(C)n1CC(C)C,C06683720_decoy,CP3A4,Decoy,0 +Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1,C07990451_decoy,CP3A4,Decoy,0 +[NH2+]=C(Nc1ccc2c(c1)OCCO2)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1,C00809838_decoy,CP3A4,Decoy,0 +CCCNC(=O)C[NH+]1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1,C09336953_decoy,CP3A4,Decoy,0 +CCc1oc2ccccc2c1C[NH+](C)[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2,C10109397_decoy,CP3A4,Decoy,0 +CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1,C12293774_decoy,CP3A4,Decoy,0 +CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1,C12293778_decoy,CP3A4,Decoy,0 +COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCc2cc(O)c(OC)cc2[C@H]1C,C12660542_decoy,CP3A4,Decoy,0 +CC1(C)CC(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC(C)(C)[NH2+]1,C12765709_decoy,CP3A4,Decoy,0 +CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1cccc(Br)c1,C14922550_decoy,CP3A4,Decoy,0 +NC(=O)Cn1cc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)c2ccccc21,C14981033_decoy,CP3A4,Decoy,0 +CCN1C[C@@H](C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)Oc2ccccc21,C32797334_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(sc(NC(=O)c3c(OCC)ccc4ccccc34)c2C(N)=O)C1,C36629357_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1,C08739482_decoy,CP3A4,Decoy,0 +C[C@@H]1O[C@@H](c2ccccc2NS(C)(=O)=O)N[C@H]1C[NH+](C)Cc1c[nH]c2ccccc12,C39532691_decoy,CP3A4,Decoy,0 +C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,C39631583_decoy,CP3A4,Decoy,0 +C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2,C39631945_decoy,CP3A4,Decoy,0 +Cc1ccsc1C(=O)N1C[C@H](C(=O)N[C@H](C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,C39632097_decoy,CP3A4,Decoy,0 +O=C(NCCNc1ccccc1)[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C39655252_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccc(C)cc34)C3(CC[NH2+]CC3)C2)cc1,C39655746_decoy,CP3A4,Decoy,0 +Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CN(C(=O)c2ccccc2)CC12CC[NH2+]CC2,C39673991_decoy,CP3A4,Decoy,0 +Cc1cccc(C(=O)N2C[C@@H](C(=O)NCCc3c[nH]c4c(C)cccc34)C3(CC[NH2+]CC3)C2)c1,C39684056_decoy,CP3A4,Decoy,0 +CC[C@H](C)C(=O)N1C[C@H](C(=O)NCCc2c[nH]c3c(C)cccc23)C2(CC[NH2+]CC2)C1,C39684110_decoy,CP3A4,Decoy,0 +Cc1cccc2c(CCNC(=O)[C@@H]3CN(C(=O)c4ccccc4)CC34CC[NH2+]CC4)c[nH]c12,C39684113_decoy,CP3A4,Decoy,0 +CCc1cccc2c1=[NH+]CC=2C(=O)CS[C@H]1NN[C@@H](c2ccc(F)cc2)[NH+]1CCC(=O)[O-],C39709385_decoy,CP3A4,Decoy,0 +C[C@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2,C39972236_decoy,CP3A4,Decoy,0 +Cc1occc1C(=O)Nc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1F,C40105590_decoy,CP3A4,Decoy,0 +COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2[NH2+]Cc1cccn1C,C35442598_decoy,CP3A4,Decoy,0 +CC(C)[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@@]12CCC(=O)NCCN1CCOCC1,C43547735_decoy,CP3A4,Decoy,0 +CNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@H]([C@H](C)C(=O)NCCN3CCOCC3)[C@H](O)[C@H]1[C@@H]2C,C43548355_decoy,CP3A4,Decoy,0 +CCCCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@H]([C@H](C)C(=O)NCCOC)[C@H](O)[C@H]1[C@@H]2C,C43548604_decoy,CP3A4,Decoy,0 +CN1CCC([NH2+][C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@@]23CCC(=O)NCc2cccnc2)CC1,C44681614_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1,C58167343_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC[NH+](CCC#N)C3)c2C(N)=O)C1,C62039398_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(C)n1C1CCCCC1,C62659810_decoy,CP3A4,Decoy,0 +O=C1N=C(NNC(=S)NCc2ccccc2)[NH+]=C2c3ccccc3CC3(CCCCC3)[C@@H]12,C63225536_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NC(=O)CCNC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3C2)cc1,C63271398_decoy,CP3A4,Decoy,0 +O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,C63386722_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)C1=C2N[C@H](NC(=O)c3ccccc3)S[C@@H]2CC1,C63690780_decoy,CP3A4,Decoy,0 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+C[NH2+][C@@](C)(CCOc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,C50441528_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)CC(=O)Nc2ccc(Br)cc2C)cc1,C29699391_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)NNC(=O)C2=CC3=[NH+][C@H](C4CC4)C[C@H](C(F)(F)F)N3N2)cc1,C36627302_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)NNC(=O)C2=CC3=[NH+][C@@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)cc1,C36627299_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(c2ccccc2NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1,C59875604_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCC[NH+](CCC#N)C3)c2C(N)=O)C1,C62039397_decoy,CP3A4,Decoy,0 +CC(C)CNC(=O)NC(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,C39760491_decoy,CP3A4,Decoy,0 +O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,C63133519_decoy,CP3A4,Decoy,0 +CC(C)CNC(=O)NC(=O)[C@@H](C)S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,C39795911_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N[C@@H]1Nc2ccc(C(=O)NCCC3=c4ccccc4=[NH+]C3)cc2S1,C63280856_decoy,CP3A4,Decoy,0 +C=CCN1[C@@H](SCC(=O)NCc2ccccc2)NN[C@@H]1CC1=c2ccccc2=[NH+]C1,C63289610_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@H]1NN[C@@H](NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)S1,C63557233_decoy,CP3A4,Decoy,0 +C=C1C=C([O-])N2C(=NC(NCCC3=c4ccccc4=[NH+]C3)=[NH+][C@H]2c2ccccc2OC)N1,C64479942_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)c1ccccc1NC(=O)[C@H]1NSc3ccccc31)C[NH+]=2,C64540121_decoy,CP3A4,Decoy,0 +C[C@H]1c2c(NCCC3=c4ccccc4=[NH+]C3)ncnc2S[C@H]1C(=O)NCC(C)(C)CO,C64636264_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-],C04908263_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1,C09576931_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1,C10188281_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-],C12643987_decoy,CP3A4,Decoy,0 +CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1Cl,C15128861_decoy,CP3A4,Decoy,0 +O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C[NH+]12)Nc1ccccc1,C15708063_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2,C15946678_decoy,CP3A4,Decoy,0 +CC(=O)N1CCC([NH2+][C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)NCCN2CCOCC2)CC1,C20464601_decoy,CP3A4,Decoy,0 +C[NH+](CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNS(=O)(=O)c1ccc(F)cc1,C20465785_decoy,CP3A4,Decoy,0 +CCCn1c(N)c(C(=O)C[NH+](CC)Cc2ccc(Br)s2)c(=O)[nH]c1=O,C20814971_decoy,CP3A4,Decoy,0 +COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc1,C13570969_decoy1,CP3A4,Decoy,0 +COc1ccccc1-c1nc(NCC[NH+](C)C)nc2nn(Cc3ccccc3)c(N)c12,C37358864_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1NC(=O)C[NH+](C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,C09684335_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1NC(=O)NC1=O)NCCc1cn(CC[NH+]2CCCCCC2)c2ccccc12,C39262027_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)[C@@H](C(=O)N[C@H]2C(=O)[NH+]=c3ccccc3=C2O)[C@@H](O)c2ccccc21,C39550188_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,C39597969_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1C2=C(CCCC2)S[C@@H]1NC(=O)COC(=O)C1=c2ccccc2=[NH+]C(=O)C1,C39611100_decoy,CP3A4,Decoy,0 +NC(=O)[C@H]1C2=C(CCCC2)S[C@H]1NC(=O)COC(=O)C1=c2ccccc2=[NH+]C(=O)C1,C39611103_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c(C(F)(F)F)o1,C39631919_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)N2C[C@@H](C(=O)NCCNc3ccccc3)C3(CC[NH2+]CC3)C2)cc1,C39655288_decoy,CP3A4,Decoy,0 +CN(C)c1cccc(C(=O)N2C[C@@H](C(=O)NCCNc3ccccc3)C3(CC[NH2+]CC3)C2)c1,C39655469_decoy,CP3A4,Decoy,0 +CC1=C([C@H](C)NC(=O)[C@@H]2CN(C(=O)C3=C(C)ON[C@@H]3c3ccccc3)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674538_decoy,CP3A4,Decoy,0 +CCCC[C@H](C)C(=O)N1C[C@@H](C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,C39685857_decoy,CP3A4,Decoy,0 +CCOc1cccc(C(=O)N2C[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1,C39685890_decoy,CP3A4,Decoy,0 +CCC(CC)C(=O)N1C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1,C39693455_decoy,CP3A4,Decoy,0 +CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC12CC[NH2+]CC2,C39693540_decoy,CP3A4,Decoy,0 +CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CC12CC[NH2+]CC2,C39693543_decoy,CP3A4,Decoy,0 +CC[C@H](C)CC(=O)N1C[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1,C39693555_decoy,CP3A4,Decoy,0 +CCc1cccc2c1=[NH+]CC=2C(=O)CS[C@@H]1NN[C@H](c2cccc(C)c2)[NH+]1CC(=O)[O-],C39711815_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2C[C@H](C(=O)NCCc3c(C)[nH]c4ccc(C#N)cc34)C3(CC[NH2+]CC3)C2)ccc1F,C44714527_decoy,CP3A4,Decoy,0 +CSCCC(=O)N1C[C@@H](C(=O)N[C@H](C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,C44737354_decoy,CP3A4,Decoy,0 +Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)[nH+]1,C15032795_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1,C29323553_decoy,CP3A4,Decoy,0 +O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1,C60362726_decoy,CP3A4,Decoy,0 +CN1C(S[C@H](C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)=NN[C@@H]1CCC(N)=O,C39939396_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)=[NH+][C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1Nc3ccccc3S1)C=2,C63281447_decoy,CP3A4,Decoy,0 +C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccc2c(c1)S[C@H](NS(C)(=O)=O)N2,C63281562_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCCC1=c2ccccc2=[NH+]C1,C63314841_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)C[C@@H]1C(=O)Oc3c(ccc(O)c3O)[C@@H]1C)C[NH+]=2,C63385431_decoy,CP3A4,Decoy,0 +O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@](CC1=c3ccccc3=[NH+]C1)(C(=O)[O-])[NH2+][C@H]2c1ccccc1O,C63473071_decoy,CP3A4,Decoy,0 +C[C@@H](OC(=O)CCCC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C63722021_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)CC3=c4ccccc4=[NH+]C3)cc12,C63818763_decoy,CP3A4,Decoy,0 +C/C(N)=C(/C#N)C(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,C40012609_decoy,CP3A4,Decoy,0 +O=C(CN1NNc2ccccc2C1=O)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1,C63908576_decoy,CP3A4,Decoy,0 +CC(C)[C@@H]1C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)=CNN1c1ccc(Cl)cc1,C64064609_decoy,CP3A4,Decoy,0 +COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2[nH]c[nH+]c23)cc1,C13570969_decoy2,CP3A4,Decoy,0 +C[C@@H]1c2c(NCCC3=c4ccccc4=[NH+]C3)ncnc2S[C@@H]1C(=O)NCC(C)(C)CO,C64636259_decoy,CP3A4,Decoy,0 +CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)cnc1N1CC[NH2+]CC1,C65025221_decoy,CP3A4,Decoy,0 +CNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)cnc1N1CC[NH2+]CC1,C65025290_decoy,CP3A4,Decoy,0 +NC(=O)c1ccc(/[NH+]=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1,C67292872_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(-c2cc3ccc(O)c(C[NH+]4CCCC[C@H]4C)c3oc2=O)c1,C04088849_decoy,CP3A4,Decoy,0 +COc1ccc(/C=N/NC(=O)C[NH+]2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1,C04834695_decoy,CP3A4,Decoy,0 +COc1ccc(Oc2c(C(F)(F)F)oc3c(C[NH+](C)C)c(=O)ccc-3c2O)cc1,C05445236_decoy,CP3A4,Decoy,0 +CC[NH+](CC)Cn1c(O)c(/N=N/C(=O)c2ccccc2Br)c2ccccc21,C06173231_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2CC(=O)N3C[NH+](C4CCCCC4)CSC3=C2C#N)ccc1O,C04437153_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(-c3ccccc3)c(C[NH+](C)Cc3nc4ccccc4c(=O)[nH]3)n2c1,C08709814_decoy,CP3A4,Decoy,0 +Cc1cc2oc(=O)c(CC(=O)NCC[NH+](C)C)c(C)c2c2occ(-c3ccccc3)c12,C08764637_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1,C09516700_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@@H](c1cccs1)[NH+](Cc1nc3c(C)cccc3c(=O)[nH]1)CC2,C09516898_decoy,CP3A4,Decoy,0 +Cc1nc2sccn2c1C[NH+]1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1,C11820041_decoy,CP3A4,Decoy,0 +CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH+]1CCc3c([nH]c4ccccc34)C1)C2,C14732746_decoy,CP3A4,Decoy,0 +Cn1c([C@H]2c3[nH]c4ccccc4c3CC[NH+]2CCCn2cccn2)nc2ccccc21,C15072788_decoy,CP3A4,Decoy,0 +O[C@@H](CON=C1c2ccccc2-c2ccccc21)CN1CCN(c2cccc[nH+]2)CC1,C19891772_decoy,CP3A4,Decoy,0 +COc1cccc2cc(C(=O)Nc3nccs3)/c(=[NH+]/c3ccc(Cl)cc3)oc12,C02951378_decoy,CP3A4,Decoy,0 +CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=[NH+]/c3ccccc3C)oc12,C02951425_decoy,CP3A4,Decoy,0 +c1ccc(N2CCN(c3nnc(-n4cccc4C[NH2+]C4CCCC4)s3)CC2)cc1,C20942758_decoy,CP3A4,Decoy,0 +CC(=O)[NH+]=c1ccc2c(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc(O)oc-2c1,C21237379_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3Cl)s2)CC1,C21880879_decoy,CP3A4,Decoy,0 +CCc1cccc(NC(=O)C[NH+]2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)c1,C33045445_decoy,CP3A4,Decoy,0 +CC1=C(/[NH+]=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)[C@H](C)N=N1,C39243187_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@@H](C[NH+]2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccn2)C(=O)N(c2ccccc2)N1C,C39537590_decoy,CP3A4,Decoy,0 +CCCCN1C=N[C@@H]2S[C@H]3C[C@@H]([NH+]4CCC(c5nc6ccccc6[nH]5)CC4)CCC3=C2C1=O,C39557789_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2CC([C@@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2)c(OC)c1,C39700724_decoy,CP3A4,Decoy,0 +O=C(CSC1=N[C@@H]2[NH+]=c3ccc(F)cc3=C2N=N1)Nc1ccccc1-c1ccccc1,C39708099_decoy,CP3A4,Decoy,0 +CC(C)C[C@@H]1NC(=O)N([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C1=O,C39733352_decoy,CP3A4,Decoy,0 +C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O,C22912902_decoy,CP3A4,Decoy,0 +C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/[C@@H]1C=c2ccccc2=[NH+]C1=O,C39941736_decoy,CP3A4,Decoy,0 +O=C(NCCC1=CCCCC1)[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1,C38739929_decoy,CP3A4,Decoy,0 +Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1,C59891126_decoy,CP3A4,Decoy,0 +Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1,C60331427_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\Oc3c(C[NH+]4CCCC[C@H]4C)c(O)cc(C)c3C2=O)cc1OC,C41511241_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)c(/C=C1\Oc3c(C[NH+]4CCCC4)c(O)cc(C)c3C1=O)cn2C,C41513442_decoy,CP3A4,Decoy,0 +Cc1cc(O)c(CN2CCN(c3cccc[nH+]3)CC2)c2c1C(=O)/C(=C/c1cccs1)O2,C41585827_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H]3[NH+]=c4ccccc4=C3N=N2)cc1,C39850650_decoy,CP3A4,Decoy,0 +CC(=O)Oc1cc2c(C(=O)NCCC3=c4ccccc4=[NH+]C3)c(C)oc2c2ccccc12,C63234497_decoy,CP3A4,Decoy,0 +CC1=C(CSc2nnc(C3=c4ccccc4=[NH+]C3)n2-c2ccc(Cl)cc2)[C@H](C)ON1,C63258846_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2ccccc2Cl)cc1,C39977194_decoy,CP3A4,Decoy,0 +Cc1coc2cc3c(cc12)[C@H](C)[C@H](CC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)C(=O)O3,C63384609_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2S(=O)(=O)C2=CNN(C(F)F)[C@@H]2C)cc1,C63625004_decoy,CP3A4,Decoy,0 +O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1NC1CCCCC1)c1cccc(Cl)c1,C38965932_decoy,CP3A4,Decoy,0 +CC(C)CCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1cccc(Cl)c1,C38966234_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(S(=O)(=O)Nc2cccc([C@@H]3C=c4cc(F)ccc4=[NH+]3)c2)c1,C63737648_decoy,CP3A4,Decoy,0 +O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1NCCc1ccccc1)c1ccc(F)cc1,C38971646_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/N2C(=S)[NH+]=N[C@H]2c2cccc(Cl)c2)cc(Br)c1O,C38975151_decoy,CP3A4,Decoy,0 +O=C(CN1CCOCC1)Nc1cccc(-c2nc(C3=c4ccccc4=[NH+]C3)cs2)c1,C63842635_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2N=[NH+]C(=S)N2N/N=C/c2cccc(Br)c2)cc1,C39007385_decoy,CP3A4,Decoy,0 +CC1=C(COc2ccccc2C(=O)N2CC=C(C3=c4ccccc4=[NH+]C3)CC2)[C@H](C)ON1,C64202232_decoy,CP3A4,Decoy,0 +Cc1coc2cc3c(cc12)[C@@H](C)[C@H](CC(=O)N[C@@H](C)CC1=c2ccccc2=[NH+]C1)C(=O)O3,C64600455_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@@H]1CCCC2=c3ccccc3=[NH+][C@@H]21,C64651241_decoy,CP3A4,Decoy,0 +Cc1ccc(CC(=O)N(C)CCC2=NO[C@@H]([C@@H]3C=c4cc(Cl)ccc4=[NH+]3)N2)cc1,C64678765_decoy,CP3A4,Decoy,0 +CCCC[NH+](C)CCCNC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@@H](C)CC3,C06750180_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1cnn(-c2ccccc2)c1,C09535401_decoy,CP3A4,Decoy,0 +CCOCCCNC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CCC(C)CC3)cc(C)c2c1,C09598043_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,C10129866_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)NCC[NH+](CCNS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1,C02026782_decoy,CP3A4,Decoy,0 +CC[C@H](NC(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C)c1cccs1,C12035650_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)[NH+](C)C,C12605202_decoy,CP3A4,Decoy,0 +CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)Nc3ccc(OC)cc3)cc2c1,C12833565_decoy,CP3A4,Decoy,0 +COc1ccc(CC[NH2+]Cc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1OC,C13564673_decoy,CP3A4,Decoy,0 +COC(=O)c1sc(NC(=O)CC[NH2+]C(c2ccccc2)c2ccccc2)c(C(=O)OC)c1C,C14219532_decoy,CP3A4,Decoy,0 +C[NH+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(=O)NCc1ccco1,C15449805_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)[NH+]1CCCC1,C15690850_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1C,C16362773_decoy,CP3A4,Decoy,0 +CC(C)N(Cc1nc(C(=O)NCCC[NH+]2CCCC[C@H]2C)cs1)C(=O)Nc1ccccc1F,C16459987_decoy,CP3A4,Decoy,0 +CCCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1,C21880350_decoy,CP3A4,Decoy,0 +CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)c1ccccc1,C22752049_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1)[NH+]1CCCC1,C23985253_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1OCC,C26339175_decoy,CP3A4,Decoy,0 +O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1,C27344346_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C,C27456891_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C(C)C)cc1,C27498068_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C,C27501697_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1csc2nc(C[NH+](C[C@H](O)COCc3ccco3)C(C)C)[nH]c(=O)c12,C35747237_decoy,CP3A4,Decoy,0 +COc1ccc(-c2csc3nc(C[NH+](CC(C)C)C[C@H](O)COC(C)C)[nH]c(=O)c23)cc1,C36206268_decoy,CP3A4,Decoy,0 +CCC[C@H](O)C[NH+](Cc1nc2scc(-c3ccc(OC)cc3)c2c(=O)[nH]1)Cc1ccco1,C36206286_decoy,CP3A4,Decoy,0 +CCOC[C@@H](O)C[NH+](Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1)Cc1ccco1,C36206510_decoy,CP3A4,Decoy,0 +C=CCC[C@H](O)C[NH+](CC)Cc1nc2scc(-c3ccc(OC)c(OC)c3)c2c(=O)[nH]1,C36207714_decoy,CP3A4,Decoy,0 +C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C,C21309245_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCCC(=O)OC)C1,C08590236_decoy,CP3A4,Decoy,0 +O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1,C08683869_decoy,CP3A4,Decoy,0 +O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1,C08683848_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)C[NH+](C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OCC,C02657545_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)cc1,C39205038_decoy,CP3A4,Decoy,0 +CCONC[C@@H](c1ccc(-c2ccccc2)cc1)N1CC[NH2+][C@H](S(=O)(=O)Oc2ccccc2)C1,C39533907_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1,C36684457_decoy,CP3A4,Decoy,0 +CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+](C)CCOc2ccc(F)cc2)cc1,C15101559_decoy,CP3A4,Decoy,0 +CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1,C45820118_decoy,CP3A4,Decoy,0 +CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1([NH+](C)C)CCCCCC1,C32703772_decoy,CP3A4,Decoy,0 +COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCCC[NH+]2CCCC[C@H]2C)C(C)C)c1,C58965744_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)CSC2=[NH+][C@](C)(CC)NN2c2ccccc2)sc2c1CCCC2,C59564785_decoy,CP3A4,Decoy,0 +COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)cc1,C60207715_decoy,CP3A4,Decoy,0 +COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1,C60238894_decoy,CP3A4,Decoy,0 +Cc1cccc(S(=O)(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)Nc2ccc(CC#N)cc2)c1,C63182774_decoy,CP3A4,Decoy,0 +C[C@@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(CCC2=c3ccccc3=[NH+]C2)C1=O,C63270246_decoy,CP3A4,Decoy,0 +COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCC2=c3ccccc3=[NH+]C2)c1,C63791350_decoy,CP3A4,Decoy,0 +CCC(CC)[C@@H]1NN=C(NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(C)ccc4=[NH+]C3)C2)S1,C63941218_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@@H]2N=N[C@H](CCCC(=O)NCCC3=c4cc(C)ccc4=[NH+]C3)S2)cc1,C64491496_decoy,CP3A4,Decoy,0 +CC(C)C[C@@H]1N=N[C@@H](C(=O)Nc2cccc(C(=O)NCCC3=c4ccccc4=[NH+]C3)c2)S1,C64502509_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)[C@@H]1N=N[C@@H](CCCC(=O)NCCC2=c3ccccc3=[NH+]C2)S1,C64538902_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CCNC(=O)CCC[C@@H]1N=N[C@@H](C(=O)Nc3cccc(F)c3)S1)C[NH+]=2,C64538916_decoy,CP3A4,Decoy,0 +N#Cc1ccc(C2=[NH+]C(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccccc4)c(=O)[nH]c3=O)N2)cc1,C01237267_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)Cn1cc(/C=N/NC(=O)c2ccccn2)c2ccccc21,C08753994_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)[NH+]=C(c2ccco2)N3)cc1,C08868870_decoy,CP3A4,Decoy,0 +CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2c1CC[NH+](C)C2,C08920114_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1,C09090327_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)[C@H]1COc2ccc(Cl)cc2C1,C09335687_decoy,CP3A4,Decoy,0 +CNC(=O)NC(=O)[C@H](C)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1,C09396282_decoy,CP3A4,Decoy,0 +O=C(CC[NH+]1CCC[C@H](C(=O)N2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2,C09982964_decoy,CP3A4,Decoy,0 +CC(=O)N[C@@H](CC(=O)N1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1)c1ccc(C)cc1,C11238175_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCc3ccccc3C2)cc1,C11898363_decoy,CP3A4,Decoy,0 +COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCc2ccccc2C1,C11898492_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccc(NC(=O)CCn3c(=S)[nH]c4ccccc4c3=O)cc2)CC1,C11950770_decoy,CP3A4,Decoy,0 +O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(O)c(C[NH+]3CCN(CCO)CC3)c2o1,C20605033_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](CC(=O)N2CCCC2)CC1,C23259476_decoy,CP3A4,Decoy,0 +CC(=O)[NH+]=c1ccc2c(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)cc(O)oc-2c1,C24850074_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(C(=O)c2cccc3c2N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H]2CC=C[C@H]32)CC1,C14476015_decoy,CP3A4,Decoy,0 +CC(=O)/[NH+]=c1/ccc2c(COC(=O)C[C@H]3Sc4ccccc4NC3=O)cc(O)oc-2c1,C37866349_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1)Nc1ccc(N2CCOCC2)cc1,C38628893_decoy,CP3A4,Decoy,0 +O=C(NC1CCC1)[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39635373_decoy,CP3A4,Decoy,0 +O=C(NC1CCC1)[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39635374_decoy,CP3A4,Decoy,0 +O=C(NC1CCCCCCC1)[C@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)CC12CC[NH2+]CC2,C39659907_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@@H](C(=O)NC[C@@H]3CCCN(c4ncccn4)C3)C3(CC[NH2+]CC3)C2)cc1C,C39669481_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@@H](C(=O)NC[C@H]3CCCN(c4ncccn4)C3)C3(CC[NH2+]CC3)C2)cc1C,C39669483_decoy,CP3A4,Decoy,0 +CC1=C([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3c(F)cccc3F)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674192_decoy,CP3A4,Decoy,0 +CC1=C([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674244_decoy,CP3A4,Decoy,0 +CC1=C([C@@H](C)NC(=O)[C@H]2CN(C(=O)c3c(Cl)ccc(C)c3F)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674356_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CCNC(=O)[C@@H]2CN(C(=O)c3c(C)noc3C)CC23CC[NH2+]CC3)c1,C39677082_decoy,CP3A4,Decoy,0 +COc1cc(OC)cc(C(=O)N2C[C@H](C(=O)N[C@H](C)C(C)(C)C)C3(CC[NH2+]CC3)C2)c1,C39684314_decoy,CP3A4,Decoy,0 +CC1(C)C(=O)Nc2ccccc2N1C(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1,C44657979_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1,C58574082_decoy,CP3A4,Decoy,0 +CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n(C)c1,C59060841_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[NH+](C)C)cc1,C60155537_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1[nH]cc(-c2ccccc2)[nH+]1,C60194792_decoy,CP3A4,Decoy,0 +C/C(=N\CCN1CC[NH2+]CC1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O,C22941024_decoy,CP3A4,Decoy,0 +C[C@@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)Nc1sccc1C#N,C39938835_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)N1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1)C(=O)Nc1ccc(F)c(F)c1,C63272457_decoy,CP3A4,Decoy,0 +COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2CC2=c3ccccc3=[NH+]C2)C(=O)Nc2c(C)cc(C)cc21,C63376196_decoy,CP3A4,Decoy,0 +COCCN1C(=O)[C@@H]2[C@H](CC3=c4ccccc4=[NH+]C3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O,C63383738_decoy,CP3A4,Decoy,0 +O=C1[C@H]2[C@@H](CC3=c4ccccc4=[NH+]C3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1C[C@H]1CCCO1,C63384453_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)[C@@H]2C(=O)[NH+]=c3cc(C(=O)Nc4cccc(C)c4C)ccc3=C2O)cc1,C09429662_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1NC(=O)c1ccc2c(c1)=[NH+]C(=O)[C@H](S(=O)(=O)c1ccccc1)C=2O,C15934812_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)c1,C63557051_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(N2C(=O)[C@@H]([C@@H]3NCCC4=c5ccccc5=[NH+][C@@H]43)C(=O)N[C@H]2S)c1,C63641976_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)C1CCN([C@H]2Nn3c(nc4c(c3=O)CCCC4)S2)CC1,C63743229_decoy,CP3A4,Decoy,0 +CNC(=O)Nc1cc(C)cc2c1=[NH+][C@@H](C(=O)N1CCC3(CC1)OCCO3)C=2c1ccccc1,C63746389_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NCCC2=NN[C@@H]3CCN(C[C@@H]4C=c5ccccc5=[NH+]4)CCN23)cc1,C64093468_decoy,CP3A4,Decoy,0 +C[C@H]1c2c(NCCC3=c4ccccc4=[NH+]C3)ncnc2S[C@@H]1C(=O)NCc1ccco1,C64120753_decoy,CP3A4,Decoy,0 +COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2CC2=c3ccccc3=[NH+]C2)C(=O)Nc2ccc(Cl)cc21,C63376178_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1)C(=O)Nc1cccc(F)c1,C64380853_decoy,CP3A4,Decoy,0 +COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O,C64716252_decoy,CP3A4,Decoy,0 +Brc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1,C01041331_decoy,CP3A4,Decoy,0 +COc1ccc(C)c2sc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc12,C08967367_decoy,CP3A4,Decoy,0 +C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nc2ccccc2s1,C08981817_decoy,CP3A4,Decoy,0 +O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1cccs1,C09047256_decoy,CP3A4,Decoy,0 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+C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)N5CCCC[C@H]5C)nnc4c23)C1,C01339666_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)N5CCC[C@H](C)C5)nnc4c23)C1,C01339677_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc3ncn4nc([C@H](C)n5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1,C02788955_decoy,CP3A4,Decoy,0 +CC[C@H]1CCc2c(sc3ncn4nc([C@H](C)Cn5nc(C(F)(F)F)cc5C)nc4c23)C1,C02789994_decoy,CP3A4,Decoy,0 +CCN(C(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4)c1cccc(C)c1,C15829673_decoy,CP3A4,Decoy,0 +C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c3ccccc3ccc21,C16913703_decoy,CP3A4,Decoy,0 +Cc1nc2ccccc2c(C)c1C(=O)OCc1nnc(-c2ccc(Br)s2)o1,C19356737_decoy,CP3A4,Decoy,0 +c1ccc(CO[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@@H]3O[C@H](c4ccccc4)O[C@@H]23)cc1,C22050632_decoy,CP3A4,Decoy,0 +C=CCN(C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12)c1nc2c(s1)CCCC2,C22239288_decoy,CP3A4,Decoy,0 +O=C(c1cc2c(s1)CCCCCC2)N1CCN(Cc2nc(-c3cccs3)no2)CC1,C14421851_decoy,CP3A4,Decoy,0 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+C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O,C24453518_decoy,CP3A4,Decoy,0 +Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C,C24992024_decoy,CP3A4,Decoy,0 +C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1,C25683454_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C26112061_decoy,CP3A4,Decoy,0 +Cc1ncc(CO)c(/C=N/NC(=O)c2nn(C)cc2I)c1O,C27520769_decoy,CP3A4,Decoy,0 +O=C(CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccccc1,C32583296_decoy,CP3A4,Decoy,0 +N#C/C(=C\[C@@H]1C=NN=C1c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C39413754_decoy,CP3A4,Decoy,0 +CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1ccccc1,C39607164_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1C2=C(CCC2)S[C@@H]1NC(=O)CS[C@H]1N=Nc2nc3ccccc3n21,C39612479_decoy,CP3A4,Decoy,0 +NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1,C40050599_decoy,CP3A4,Decoy,0 +Cc1ccccc1Cn1c(C(=O)Nc2c(C)nn(C)c2C(N)=O)cc2occc21,C40799764_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1C,C44250829_decoy,CP3A4,Decoy,0 +CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,C45684163_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)Nc1ccccc1NC(=O)CCn1cnc2ccccc2c1=O,C47381155_decoy,CP3A4,Decoy,0 +CCNC(=O)c1ccc(NC(=O)NCCc2nnc3n2CCCCC3)c(C)c1,C48110491_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1CN(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCO1,C51680791_decoy,CP3A4,Decoy,0 +NC(=O)[C@H]1CN(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCO1,C51680793_decoy,CP3A4,Decoy,0 +Cc1cc(OCC(N)=O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2,C55680044_decoy,CP3A4,Decoy,0 +C=CCNC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O,C27394117_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1nc(CC(=O)Nc2ccccc2NC(=O)N(C)C)cs1,C58443814_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1c[nH]c2ncccc12)c1cc(-c2ccco2)nc2ccccc12,C64733604_decoy,CP3A4,Decoy,0 +CCCCCNC(=O)NNC(=O)c1cnc2ccc(Br)cn2c1=O,C65126859_decoy,CP3A4,Decoy,0 +CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NOC)cc1,C65500541_decoy,CP3A4,Decoy,0 +Cc1nc(C2(NC(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CCCC2)no1,C56081552_decoy,CP3A4,Decoy,0 +NS(=O)(=O)NC[C@@H]1CCCN(c2nccc(Oc3ccc(F)cc3)n2)C1,C66466467_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CC1CCCCC1)C2=O,C66571913_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)CNC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1,C66595788_decoy,CP3A4,Decoy,0 +Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c12,C66608249_decoy,CP3A4,Decoy,0 +O=C(NC[C@]1(O)CCCc2ccccc21)C(=O)Nc1cccc(-c2nnco2)c1,C67000261_decoy,CP3A4,Decoy,0 +CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)Nc2ccc3nc(C)oc3c2)c1,C67257654_decoy,CP3A4,Decoy,0 +CCNC(=O)Nc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1,C67301306_decoy,CP3A4,Decoy,0 +COc1ccccc1C(=O)NNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,C67438181_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2,C67441882_decoy,CP3A4,Decoy,0 +CCC(=O)NC(Nc1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F,C04177323_decoy,CP3A4,Decoy,0 +O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F,C00943939_decoy,CP3A4,Decoy,0 +C/C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)=N\NC(N)=S,C04567994_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl,C02682783_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1,C01118050_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C/C(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1,C06478650_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=S)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1C,C06822264_decoy,CP3A4,Decoy,0 +C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1cccc(S(N)(=O)=O)c1,C09338897_decoy,CP3A4,Decoy,0 +O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCc1c[nH]c2ccccc12,C12901074_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21,C13639721_decoy,CP3A4,Decoy,0 +CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13640375_decoy,CP3A4,Decoy,0 +Nc1nnc(SCc2ccccc2CSc2nnc(N)s2)s1,C16450132_decoy,CP3A4,Decoy,0 +NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CC/C3=C/c1ccco1,C26845200_decoy,CP3A4,Decoy,0 +CC(C)(C)OC(=O)[C@H]1[C@H](c2ccccc2)C[C@](C)(O)C[C@]12NNC(=S)N2,C35327160_decoy,CP3A4,Decoy,0 +COc1ccccc1NC(=O)Nc1c(Br)cc(N)cc1Br,C36743911_decoy,CP3A4,Decoy,0 +Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccccc2)n1,C13637733_decoy,CP3A4,Decoy,0 +CSc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12,C20458741_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCc4cccc5ccccc45)N3N)N=N2)cc1,C39021151_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)S[C@@H](NC(=O)NCc1cc3ccccc3[nH]1)N2,C39159022_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccco4)c3c2N)cc1,C39931571_decoy,CP3A4,Decoy,0 +CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccccc1SCC(N)=O,C40120428_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1,C40150017_decoy,CP3A4,Decoy,0 +Cc1cccc2sc(Nc3ncnc(NCc4ccccc4)c3N)nc12,C40709308_decoy,CP3A4,Decoy,0 +Cc1ccc2cccc(Nc3ncnc(N[C@H](C)c4ccccc4)c3N)c2n1,C40758555_decoy,CP3A4,Decoy,0 +C[C@H](Nc1ncnc(Nc2nc3ccccc3s2)c1N)c1ccccc1,C40760188_decoy,CP3A4,Decoy,0 +Nc1c(NCc2ccco2)ncnc1Nc1ccccc1Br,C40761273_decoy,CP3A4,Decoy,0 +Cc1ccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)nc1,C40782300_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(N)=S)CCC2,C40824522_decoy,CP3A4,Decoy,0 +CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)Nc1ccccc1SCC(N)=O)C2,C43884201_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C(=O)Nc1ccc(I)cc1)/C(N)=N/O,C44861310_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(NC(N)=O)cc1,C45781880_decoy,CP3A4,Decoy,0 +Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)coc2c1C,C45834627_decoy,CP3A4,Decoy,0 +O=C(NCCNC(=O)c1ccc(O)cc1)Nc1ccccc1-c1ccccc1,C46851515_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)c1cc(Br)cnc1NN)c1ccc(Cl)s1,C51095267_decoy,CP3A4,Decoy,0 +NNc1cc(C(=O)Nc2cc(Br)ccc2Br)cc(Cl)n1,C51117227_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)cc1,C51646087_decoy,CP3A4,Decoy,0 +NC(=O)c1ccsc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1,C12690614_decoy,CP3A4,Decoy,0 +NC(=O)c1c(NC(=S)NC(=O)c2ccc3ccccc3c2)sc2c1CCC2,C06886195_decoy,CP3A4,Decoy,0 +CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(I)cc1,C03611081_decoy,CP3A4,Decoy,0 +C/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cc(C)ccc1O,C20933414_decoy,CP3A4,Decoy,0 +C[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(-c2ccccc2)cc1,C12914314_decoy,CP3A4,Decoy,0 +C/C(=N\Nc1nnc(SCc2c(C)cc(C)cc2C)[nH]1)c1ccc(N)cc1,C59309544_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccc(Cl)c(Cl)c1,C61743004_decoy,CP3A4,Decoy,0 +Nc1nc(-c2cccs2)c(CCC(=O)NCC2(CO)CCCCC2)s1,C62510532_decoy,CP3A4,Decoy,0 +C[C@@H]([NH3+])CC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825376_decoy,CP3A4,Decoy,0 +C[C@]([NH3+])(C(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-])C1CC1,C62825394_decoy,CP3A4,Decoy,0 +NC(=O)Cc1ccccc1NC(=O)NCCCc1cccc(Br)c1,C66667901_decoy,CP3A4,Decoy,0 +NC(=O)Nc1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1,C25881815_decoy,CP3A4,Decoy,0 +CCC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)CCCc3ccccc32)cc1,C66952297_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cc1C(N)=O,C67492927_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)[NH2+][C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1OC,C02131330_decoy,CP3A4,Decoy,0 +CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)Cl)[NH+](C)C1,C03978080_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21,C02130545_decoy,CP3A4,Decoy,0 +NC(=O)c1ccc(C(=[NH2+])NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C01048988_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(N)=[NH2+])cc(Br)c1OCc1ccccc1Cl,C06180896_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C,C08153159_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2,C08171273_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1,C00850053_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,C08472765_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1,C09484410_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)c(C)c1,C10156517_decoy,CP3A4,Decoy,0 +Nc1nc(SCC[NH+]2CCCC2)[nH]c(=O)c1NC(=O)c1ccc(Br)o1,C10243492_decoy,CP3A4,Decoy,0 +O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1ccc(C(=O)c2ccccc2O)cc1)c1ccc(O)cc1,C12501369_decoy,CP3A4,Decoy,0 +COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(O)[nH]c(=O)n(-c2ccc(F)cc2)c1=O,C02130324_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,C13042260_decoy,CP3A4,Decoy,0 +CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)[NH+](C)C1,C13298314_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13640544_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2,C13640546_decoy,CP3A4,Decoy,0 +CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)[NH+](C)C1,C15945335_decoy,CP3A4,Decoy,0 +CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)[NH+](C)C1,C16637537_decoy,CP3A4,Decoy,0 +CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](C)Cl)[NH+](C)C1,C16696690_decoy,CP3A4,Decoy,0 +C=CCOC(=O)/N=c1/[nH]c2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCC[NH+](C)C,C20504831_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=N/Nc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)o1,C20834937_decoy,CP3A4,Decoy,0 +CC1(C)CC(NC(=O)CSc2n[nH]c(NN=C3CCCCCC3)n2)CC(C)(C)[NH2+]1,C20837743_decoy,CP3A4,Decoy,0 +Cc1cc(C)nc(/N=C(/NC(=O)NC23CC4CC(CC(C4)C2)C3)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1,C14161212_decoy,CP3A4,Decoy,0 +CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)Cl)[NH+](C)C1,C22055025_decoy,CP3A4,Decoy,0 +CCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C(C)C)cc1,C28731333_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NNC(=O)c3ccccc3F)sc2[nH+]1,C29033431_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C(C)(C)CO)c(Br)c(Br)c1OCC(N)=O,C36612917_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCc3ccccc32)sc(C(N)=O)c1C,C03477722_decoy,CP3A4,Decoy,0 +CCCCc1nc2c(o1)NC([NH3+])=C(C#N)[C@]21C(=O)Nc2ccc(Br)cc21,C39323856_decoy,CP3A4,Decoy,0 +CCCCc1nc2c(o1)NC([NH3+])=C(C#N)[C@@]21C(=O)Nc2ccc(Br)cc21,C39323857_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4c(C)cccc34)C3(CC[NH2+]CC3)C2)[C@H](c2ccccc2)NO1,C39684242_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1/C(=N/NC(N)=[NH2+])CC(C)(C)C2,C39856057_decoy,CP3A4,Decoy,0 +Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1ccc2c(c1)OCO2,C40684841_decoy,CP3A4,Decoy,0 +CCCOc1c(Br)cc(Br)cc1C[NH2+]CCNC(=O)c1nonc1N,C40744431_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)NNc2nc[nH+]c(N3CCCc4ccccc43)c2N)cc1,C40780231_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H]([NH2+]Cc2ccc(CO)o2)[C@]2(CCC(=O)NC3CC3)CC[C@](C)(O)C[C@@H]12,C43548061_decoy,CP3A4,Decoy,0 +CC[C@@H]([NH3+])Cc1c(OC)cc(C)c2c1Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O,C44409693_decoy,CP3A4,Decoy,0 +COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C[C@@H]([NH3+])CO)c2O)c(C)c1O,C44463972_decoy,CP3A4,Decoy,0 +COC(=O)c1oc(-c2c3c([nH+]c4sc(C(N)=O)c(N)c24)CCCCCC3)cc1C,C49066854_decoy,CP3A4,Decoy,0 +C[C@@]([NH3+])(CCCOc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,C50441533_decoy,CP3A4,Decoy,0 +Nc1nc(N)nc(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,C23292023_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C,C14931143_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+](C)CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,C30542358_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2NN=C3[NH+]=C(Nc4ccccc4)N=C(Nc4ccccc4)N32)ccc1O,C59226962_decoy,CP3A4,Decoy,0 +C[C@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1,C39933575_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1N[C@H](Nc2ccccc2)S[C@H]1NC(=O)[C@@H]1C=c2cc(Cl)ccc2=[NH+]1,C63686323_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1CS[C@H](NC(=O)Nc2ccccc2)N1)NCCC1=c2ccccc2=[NH+]C1,C63686705_decoy,CP3A4,Decoy,0 +NC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(SC2CCCC2)cc1,C64073398_decoy,CP3A4,Decoy,0 +O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc(O)cc1O,C02069303_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cc(Br)ccc2N)c1C,C08758393_decoy,CP3A4,Decoy,0 +Nn1cc(-c2ccccc2)nc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F,C08758128_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@H](O)[C@H](O)[C@H](O)CO)/N=N/c2ccc(Br)cc2)cc1C,C08934244_decoy,CP3A4,Decoy,0 +Cc1sc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c(=O)c2c1C,C09128174_decoy,CP3A4,Decoy,0 +CC[C@H](Sc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1)C(=O)OC,C10243562_decoy,CP3A4,Decoy,0 +CC[C@@H](Sc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1)C(=O)OC,C10243565_decoy,CP3A4,Decoy,0 +CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1,C10453251_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)s1,C11207937_decoy,CP3A4,Decoy,0 +O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1c[nH]c2ccccc12,C12297016_decoy,CP3A4,Decoy,0 +Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1nnc(N)s1,C12372413_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1,C12573873_decoy,CP3A4,Decoy,0 +CCOc1ccc(-n2c(N)c3c(N)nc(N(CC)CC)c(C#N)c3c(C#N)c2=S)cc1,C02641158_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2,C13640386_decoy,CP3A4,Decoy,0 +CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O,C14165944_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc3nc(SCc4nc(N)nc(N)n4)n(-c4ccccc4)c(=O)c23)C1,C17534947_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C)ccc4C)n3N)[nH]n2)cc1,C09541399_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(O)cc2)cc1OC,C18197094_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O,C19620454_decoy,CP3A4,Decoy,0 +O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)Nc1cccc(C(F)(F)F)c1,C20438155_decoy,CP3A4,Decoy,0 +CSc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(C)cc2)n1N,C20826725_decoy,CP3A4,Decoy,0 +O=C(CSc1n[nH]c(N/N=C/c2c(O)ccc3ccccc23)n1)Nc1ccccc1F,C20907419_decoy,CP3A4,Decoy,0 +Nn1c(N/N=C/c2cccs2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1,C21318036_decoy,CP3A4,Decoy,0 +CC/C(=N\Nc1nnc(SCC(=O)Nc2c(F)cccc2F)n1N)c1ccccc1,C21322768_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl,C21332068_decoy,CP3A4,Decoy,0 +Nc1nc(SCC(=O)NC(=O)NCc2ccccc2)nc2sc3c(c12)CCCC3,C23590604_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1,C04259722_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1,C30839639_decoy,CP3A4,Decoy,0 +Cc1cccc(C(O)(C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1,C03764599_decoy,CP3A4,Decoy,0 +NNc1nc2sccn2c1S(=O)(=O)Nc1cccc(I)c1,C37556172_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1,C01777238_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2n[nH]c(N)n2)cc1,C08685887_decoy,CP3A4,Decoy,0 +COc1ccc(C2=C[C@H]([C@@H]3NN[C@H](SCc4cccc5ccccc45)N3N)N=N2)cc1,C39021362_decoy,CP3A4,Decoy,0 +COc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCc4cccc5ccccc45)N3N)N=N2)cc1,C39021364_decoy,CP3A4,Decoy,0 +O=C(C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O)NNc1cccc(Br)c1,C39267169_decoy,CP3A4,Decoy,0 +CN1C(=O)c2sccc2N2[C@H](CCCC(=O)NCCc3c[nH]c4ccccc34)NN[C@H]12,C39370981_decoy,CP3A4,Decoy,0 +O=C(CCc1c[nH]c2ccccc12)NNC(=O)CN1c2ccccc2N[C@H]1C(F)(F)F,C39612797_decoy,CP3A4,Decoy,0 +COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(N)=O)CC(C)(C)C3)cc1OC,C39856279_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)ccc1O,C02360203_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCO)ccc1O,C38705033_decoy,CP3A4,Decoy,0 +COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1,C45481279_decoy,CP3A4,Decoy,0 +Cc1nc(C)c(C(=O)N/N=C/c2ccccc2O)cc1C(=O)N/N=C/c1ccccc1O,C48523150_decoy,CP3A4,Decoy,0 +CCc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1,C20610580_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1,C09282253_decoy,CP3A4,Decoy,0 +Nc1nc(CSCC(=O)Nc2ccc(Br)cc2)nc(Nc2ccccc2)n1,C19223483_decoy,CP3A4,Decoy,0 +Nc1nc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nc2sc3c(c12)CCCCC3,C12479862_decoy,CP3A4,Decoy,0 +COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3cc[nH]c3c2)c1,C33227267_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1,C59810508_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1,C66191006_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(C)c4C)n3N)n[nH]2)cc1,C09540851_decoy,CP3A4,Decoy,0 +CC1CCN(C(=O)C[C@@H]2c3nc(NC(=O)C4CCC4)sc3C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]32C)CC1,C04222463_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(Br)cc3C)C2=O)cc1,C08635170_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1,C08791427_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1,C09231377_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc(NC(=O)c2cccs2)c1,C09253458_decoy,CP3A4,Decoy,0 +Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N(C)Cc2ccccc2Br)n1,C09367832_decoy,CP3A4,Decoy,0 +CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C/c2ccc(Br)s2)c(=O)[nH]c1=O,C09592516_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)c1,C11441287_decoy,CP3A4,Decoy,0 +CON=C1CCCc2c(C(=O)NNC(=O)Nc3ccc(OC(F)(F)F)cc3)sc(SC)c21,C12367081_decoy,CP3A4,Decoy,0 +Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccco1,C12502790_decoy,CP3A4,Decoy,0 +NC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)=NN1c1ccc(F)cc1,C12739316_decoy,CP3A4,Decoy,0 +CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N21,C12887722_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)[C@@]2(NS(=O)(=O)c1ccc(N)cc1)C(F)(F)F,C09344407_decoy,CP3A4,Decoy,0 +COC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br,C13976639_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)o2)cc1,C13998107_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OCC,C15799147_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Br)cc1,C15895824_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1ccccc1Br)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1,C17358868_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC,C18198577_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc3nc(SCC(N)=O)n(NC(=O)CSCc4ccccc4)c(=O)c23)C1,C20562871_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(O)c(OC)c2)c1,C20885299_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc(OC)c1OC,C20886105_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cccc1[N+](=O)[O-],C21595923_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)sc2[nH]c(Cc3ccccc3)nc(=O)c12,C21971125_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)NCCNC(=O)c4ccco4)sc3[nH]2)c1,C25520897_decoy,CP3A4,Decoy,0 +C[C@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@@]21C,C31163954_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2C)[C@H]1c1c(C)nn(C)c1C,C35678737_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Cl)cc1,C36735304_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1,C08593899_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1,C04177427_decoy,CP3A4,Decoy,0 +Cc1ccc(N[C@@H]2[C@H](C#N)C3=C(COC(C)(C)C3)C3=NN[C@H](SCc4nc5ccccc5[nH]4)N32)cc1,C38752558_decoy,CP3A4,Decoy,0 +CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O,C16718114_decoy,CP3A4,Decoy,0 +C[C@@H](Oc1c(-c2ccccc2)oc2ccccc2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2,C40167887_decoy,CP3A4,Decoy,0 +C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)N[C@@H]5CCCCNC5=O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C43736913_decoy,CP3A4,Decoy,0 +Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)[nH]c(=O)c2c1C,C45328636_decoy,CP3A4,Decoy,0 +CNc1c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)n(C)c(=O)n1-c1ccc(F)cc1,C45817770_decoy,CP3A4,Decoy,0 +Cc1occc1C(=O)Nc1cc(NC(=O)CCNC(=O)c2ccc(Br)cc2)ccc1F,C46790724_decoy,CP3A4,Decoy,0 +O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21,C01240262_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21,C03195128_decoy,CP3A4,Decoy,0 +CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc(Br)cc(C)c3OC)cc2s1,C57313078_decoy,CP3A4,Decoy,0 +C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(C)cc1,C58991044_decoy,CP3A4,Decoy,0 +Nn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nnc1-c1ccccc1Br,C59264878_decoy,CP3A4,Decoy,0 +O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1,C59365893_decoy,CP3A4,Decoy,0 +N#C[C@H](C(N)=O)[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,C59461869_decoy,CP3A4,Decoy,0 +C/C(=N/c1ccc(S(N)(=O)=O)cc1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O,C13893436_decoy,CP3A4,Decoy,0 +Cc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1,C13546501_decoy,CP3A4,Decoy,0 +CCN[C@H]1NN=C(SCC2=NC(=O)C3=C(C)[C@@H](C(=O)Nc4ccc(C)cc4C)SC3=N2)S1,C39937709_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc(NC(=O)CSC3=NC(=O)C4=C5CCCC[C@@H]5SC4=N3)c2C(N)=O)C1,C39943331_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N[C@H]2Nc3ccc(NC(=O)[C@@H]4C=C(c5cccs5)N=N4)cc3S2)cc1,C63600832_decoy,CP3A4,Decoy,0 +O=c1[nH]c2cc([C@H]3N[C@@H](c4ccccc4Br)NO3)ccc2c(=O)n1CCc1ccccc1,C64871249_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)[C@@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2,C08790268_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(N)=O)[NH2+][C@]12C(=O)Nc1ccc(Br)cc12,C09041446_decoy,CP3A4,Decoy,0 +CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@H]2CCC[NH+]2CC)cc1,C09836189_decoy,CP3A4,Decoy,0 +NC1=[NH+][C@@H](c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)n2c(nc3ccccc32)N1,C10059076_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1CCc1ccccc1,C12881911_decoy,CP3A4,Decoy,0 +CC[NH+]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccc(Br)cc3)c2C(N)=O)C1,C02316646_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[NH2+]CCc2ccccc2)sc2c1CCC2,C15946669_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1,C15946821_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(N)=O)[NH2+][C@@]12C(=O)Nc1ccc(Br)cc12,C16027182_decoy,CP3A4,Decoy,0 +Cc1ccccc1NCc1nnc(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1-c1ccccc1,C20831419_decoy,CP3A4,Decoy,0 +NC(=O)c1c(NC(=O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)sc2c1CCCC2,C22921522_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2N)CC1,C25510532_decoy,CP3A4,Decoy,0 +CCOc1ccc2nc(NC(=O)c3cc4ccc(O)cc4o/c3=[NH+]\c3ccc(C)c(O)c3)sc2c1,C09635633_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[NH+]2CCN(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)OC4)CC2)cc1,C34785179_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(-n2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3[nH+]c4ccccc4nc32)c1,C02355320_decoy,CP3A4,Decoy,0 +NC1=[NH+][C@@H](c2cccc(Br)c2)NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=N1,C39448905_decoy,CP3A4,Decoy,0 +NC1=[NH+][C@H](c2cccc(Br)c2)NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=N1,C39448906_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(c4ccccc4O)C(Cc4ccccc4)=C[C@@H]3C[C@@H]2CO1,C39467039_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@H]3C=C(Cc4ccccc4)C(c4ccccc4O)=C[C@H]3C[C@H]2CO1,C39467089_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)C1=C[C@@H]2C[NH+]3N[P@@](=O)(c4ccccc4O)OC[C@@H]3C[C@@H]2C=C1c1ccccc1O,C39467134_decoy,CP3A4,Decoy,0 +O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(O)C(S(=O)(=O)Oc4ccccc4)=C[C@@H]3C[C@@H]2CO1,C39467575_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)C1=C[C@@H]2C[C@@H]3CO[P@](=O)(c4ccccc4O)N[NH+]3C[C@@H]2C=C1c1ccccc1O,C39467606_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)C1=C[C@H]2C[C@H]3CO[P@](=O)(c4ccccc4O)N[NH+]3C[C@@H]2C=C1c1ccccc1O,C39467612_decoy,CP3A4,Decoy,0 +CS[C@H]1C[NH+]([C@@H](CNc2ccccc2O)c2ccc(S(=O)(=O)Oc3ccccc3)cc2)CCN1,C39534272_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,C39597637_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccccc12)[C@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC12CC[NH2+]CC2,C39597665_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(C(=O)c4ccc(C)c(F)c4F)CC34CC[NH2+]CC4)c2c1,C39656002_decoy,CP3A4,Decoy,0 +CC1=NN(C(C)(C)C)[C@H](C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccc(C)cc34)C3(CC[NH2+]CC3)C2)C1,C39656086_decoy,CP3A4,Decoy,0 +CC1=NN(C(C)(C)C)[C@H](C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4c(C)cccc34)C3(CC[NH2+]CC3)C2)C1,C39684188_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)[C@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,C39685729_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@H](C(=O)NCCNC(=O)Cc3cccc4ccccc34)C3(CC[NH2+]CC3)C2)cc1,C39691300_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2,C40813629_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2,C40825938_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3c(C)[nH]c4ccc(C#N)cc34)C3(CC[NH2+]CC3)C2)cc1C,C44714591_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2C[C@H](C(=O)NCCc3c(C)[nH]c4ccc(C#N)cc34)C3(CC[NH2+]CC3)C2)c(C)c1,C44714633_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@]2(C#N)C(N)=[NH+]C(ON=C3CCCCC3)(ON=C3CCCCC3)[C@@]21C#N,C12462568_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@@H](C)NC(=O)[C@H]3CN(C(=O)c4c(F)ccc(Cl)c4F)CC34CC[NH2+]CC4)[nH]c2c1,C44737649_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@H](C)NC(=O)[C@H]3CN(C(=O)c4c(Cl)ccc(C)c4F)CC34CC[NH2+]CC4)[nH]c2c1,C44737290_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@H](C)NC(=O)[C@@H]3CN(C(=O)c4cc(C)nn4C(C)(C)C)CC34CC[NH2+]CC4)[nH]c2c1,C39695817_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3CN(C(=O)c4csc5ccccc45)CC34CC[NH2+]CC4)[nH]c2c1,C39695832_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@H](C)NC(=O)[C@@H]3CN(C(=O)c4csc5ccccc45)CC34CC[NH2+]CC4)[nH]c2c1,C39695833_decoy,CP3A4,Decoy,0 +Cc1ccc2nc([C@@H](C)NC(=O)[C@H]3CN(C(=O)c4csc5ccccc45)CC34CC[NH2+]CC4)[nH]c2c1,C44737493_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o/c1=[NH+]\c1ccc(S(N)(=O)=O)cc1,C59170450_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)c1cc2cc(Br)ccc2o/c1=[NH+]\c1ccc(S(N)(=O)=O)cc1,C59170453_decoy,CP3A4,Decoy,0 +CCOc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)/c(=[NH+]/c3ccc(S(N)(=O)=O)cc3)oc12,C59170473_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3o/c2=[NH+]\c2ccc(S(N)(=O)=O)cc2)cc1C,C59170476_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(/[NH+]=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(Cl)cc2)cc1,C59170529_decoy,CP3A4,Decoy,0 +CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5c[nH]c[nH+]5)CC[C@]4(C)[C@H]3CC[C@@]21C,C35361452_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2cc(F)ccc2=[NH+]C1)c1ccc2c(c1)S[C@H](NS(=O)(=O)c1ccccc1)N2,C63279902_decoy,CP3A4,Decoy,0 +CC[C@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H](c2c([O-])[nH]c(=O)n(CCc3ccc(OC)c(OC)c3)c2=O)[NH2+]1,C63386254_decoy,CP3A4,Decoy,0 +Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1,C02531371_decoy,CP3A4,Decoy,0 +Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)c1,C02532129_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)C1CCCCC1,C04080784_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)c4cccc(Cl)c4)c3)cc2C1,C03363342_decoy,CP3A4,Decoy,0 +Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1,C08385424_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(=O)Nc2cccc3ccccc23)C1,C08445664_decoy,CP3A4,Decoy,0 +Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCCC2)C1(C)C,C08696033_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1,C06143585_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2sc3ncn(CC(=O)Nc4cccc(Cl)c4Cl)c(=O)c3c2C)c(C)c1,C01970705_decoy,CP3A4,Decoy,0 +COc1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1NC(=O)c1cccs1,C08900810_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(Cl)cc4)n2)Cc2c(CO)cnc(C)c2O3)cc1,C09116267_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12,C09886399_decoy,CP3A4,Decoy,0 +CCOc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)cc1Br,C10040846_decoy,CP3A4,Decoy,0 +O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1Br,C12278490_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)sc2c1CCCCC2,C03669392_decoy,CP3A4,Decoy,0 +CC(=O)N(C)c1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1,C12498480_decoy,CP3A4,Decoy,0 +Cn1c(SCc2ccccc2Cl)nnc1-c1oc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N,C01034705_decoy,CP3A4,Decoy,0 +CSCC[C@H](NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12)c1nc2ccccc2[nH]1,C13147660_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1F)N2,C13381898_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Br)cc1Br)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1,C13616063_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC,C13640625_decoy,CP3A4,Decoy,0 +CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)ccc2C)cc1Br,C14361171_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O,C14468571_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O,C14468761_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)C(C)(C)N2,C22848077_decoy,CP3A4,Decoy,0 +N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12,C08900555_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc2ccccc2c1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1,C28308901_decoy,CP3A4,Decoy,0 +Cc1c(CN(C)[C@H](CO)Cc2ccccc2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12,C28822536_decoy,CP3A4,Decoy,0 +CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C,C35189796_decoy,CP3A4,Decoy,0 +CSc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C(C)(C)C)[C@@H]4C(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c1,C36066224_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(O)cc2)N(C)C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)cc1,C36525527_decoy,CP3A4,Decoy,0 +CC(C)(C)CC(C)(C)NC(=O)[C@@H](C(c1ccccc1)c1ccccc1)N(C(=O)[C@@H]1CCC(=O)N1)C(C)(C)C,C36591372_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@H](c1ccccc1O)N(Cc1ccc(C)o1)C(=O)Cc1ccc(Br)cc1,C36595170_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1,C08589056_decoy,CP3A4,Decoy,0 +Cc1cc(Br)c2c(c1)/C(=N\NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2C,C27475129_decoy,CP3A4,Decoy,0 +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)COC(=O)CCc1ccccc1,C38653313_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\C[C@H](C(C)(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC,C39324422_decoy,CP3A4,Decoy,0 +C[C@@]1(c2ccccc2O)CN(O)C(=O)N1CC1(C2CCCCC2)CCN(I)CC1,C39488254_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)n2C)c(C)c1,C39753971_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)cc1,C39836410_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2,C39992573_decoy,CP3A4,Decoy,0 +Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2cccc(Oc4ccccc4)c2)N(Cc2ccco2)C3=O)cc1Cl,C39914604_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2,C40812950_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](CC2CCCCC2)(C(=O)[O-])[NH2+][C@H]3c2ccc(Cl)s2)cc1,C33916259_decoy,CP3A4,Decoy,0 +O=C(Cc1ccccc1)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl,C43751617_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1,C36625090_decoy,CP3A4,Decoy,0 +CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nn1[C@H]2c1c(O)ccc2ccccc12,C22842002_decoy,CP3A4,Decoy,0 +O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2,C58847739_decoy,CP3A4,Decoy,0 +CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@]12C(=O)Nc1ccccc12,C61954442_decoy,CP3A4,Decoy,0 +CC[NH+](CC)c1ccc([C@@H]2CC([C@@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2C(C)=O)cc1,C63991392_decoy,CP3A4,Decoy,0 +CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1,C06134205_decoy,CP3A4,Decoy,0 +CC(C)CCNC(=O)[C@H](CC(C)C)N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)C1CCCC1,C06134374_decoy,CP3A4,Decoy,0 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+COc1cc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(C)C,C39558631_decoy,CP3A4,Decoy,0 +O=C(NCCc1c[nH]c2ccccc12)C(=O)N[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1,C39708894_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c(C)c1,C40399448_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c1,C40399495_decoy,CP3A4,Decoy,0 +NC(=O)NC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2c1CCC2,C44452615_decoy,CP3A4,Decoy,0 +C[C@H]1CCc2c(sc3nc(SCC(=O)N4C[C@H](C(N)=O)Oc5ccccc54)nc(N)c23)C1,C45638084_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)c(C)c1,C45850379_decoy,CP3A4,Decoy,0 +Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21,C16009809_decoy,CP3A4,Decoy,0 +CCc1ccc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1,C16012573_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2,C16033904_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1O,C00718396_decoy,CP3A4,Decoy,0 +CCc1nnc(N/N=C/c2cc(I)cc(I)c2O)n1N,C08402538_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1,C16286480_decoy,CP3A4,Decoy,0 +O=c1[nH]c2cc3c(cc2cc1CNc1ccc2nc(-c4ccc5[nH]cnc5c4)[nH]c2c1)OCO3,C57709837_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)CSc2nnc(NC(=O)CSc3nnc(N)s3)s2)c1C,C59435168_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(NC(=O)CSc2nnc(N/N=C/c3cccc(Br)c3)n2N)c1,C20292244_decoy,CP3A4,Decoy,0 +CC[C@@]1(c2ccc(NC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)cc2)CCC(=O)NC1=O,C60017213_decoy,CP3A4,Decoy,0 +COc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccccc2Br)n1,C15143959_decoy,CP3A4,Decoy,0 +NNC(=O)COc1ccc(C2=NN=C(C(F)(F)F)[C@H]2c2ccc(Br)cc2)c(O)c1,C18102470_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccccc4C(C)C)n3N)n[nH]2)cc1,C09488557_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12,C02199951_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[C@H](C)[NH+]1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12,C02199953_decoy,CP3A4,Decoy,0 +CC1=C([C@H](C)[C@@H]2[NH2+]C[C@H](C)C[C@H]2O)CC[C@H]2C3=C(C(=O)[C@H]12)[C@]1(C)CC[C@H](O)CC1=CC3,C04008415_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(Br)cc1C(=O)NC(=[NH2+])NC1CCCCCCC1,C03106226_decoy,CP3A4,Decoy,0 +CC1(C)C[C@@H]([NH3+])C[C@](C)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1,C04284110_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1,C07524623_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2nc3sc(C(=O)/N=c4\[nH]c5ccccc5s4)c(N)c3c(-c3cccs3)c2C1,C08743234_decoy,CP3A4,Decoy,0 +C[C@@H]1C(=O)[C@H](C)[C@H](c2cc(Br)ccc2O)[NH2+][C@@H]1c1cc(Br)ccc1O,C09059313_decoy,CP3A4,Decoy,0 +C[C@@H]1C(=O)[C@@H](C)[C@H](c2cc(Br)ccc2O)[NH2+][C@@H]1c1cc(Br)ccc1O,C09059314_decoy,CP3A4,Decoy,0 +Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1,C13592320_decoy,CP3A4,Decoy,0 +O=C(NC(=O)N(C(=O)NC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(Cl)cc1)c1ccc(Cl)cc1,C02451684_decoy,CP3A4,Decoy,0 +CC1(C)CC(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1,C29787670_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc2[nH+]c(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]2CC[C@]31C,C35188575_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc2[nH+]c(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@@]31C,C35188577_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc2[nH+]c(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]31C,C35188579_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(-c2ccc([C@@H]3[NH+]=c4ccccc4=C4Nc5ccccc5N43)o2)cc1,C08622526_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CC[NH+]4C[C@@H]3CC[C@@H]2O)c1,C39230565_decoy,CP3A4,Decoy,0 +ONC[C@@H](c1ccc(Cc2ccccc2)cc1)N1CC[NH2+][C@H](c2ccccc2O)C1,C39531028_decoy,CP3A4,Decoy,0 +CC(C)Cc1ccc([C@@H](CNBr)N2CC[NH2+][C@H](c3ccccc3O)C2)cc1,C39533340_decoy,CP3A4,Decoy,0 +CC(C)Cc1ccc([C@H](CNI)N2CC[NH2+][C@H](c3ccccc3O)C2)cc1,C39533343_decoy,CP3A4,Decoy,0 +CO[C@@H]1C[NH+]([C@@H](CNc2ccccc2O)c2ccc(-c3ccccc3)cc2)CCN1,C39533668_decoy,CP3A4,Decoy,0 +Oc1ccccc1-c1ccc([C@H](CNCc2ccccc2)[NH+]2CCN[C@H](Br)C2)cc1,C39534111_decoy,CP3A4,Decoy,0 +CN(Cc1ccccc1)c1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N,C40662368_decoy,CP3A4,Decoy,0 +CCN(c1nc[nH+]c(Nc2cccc(Cl)c2C)c1N)c1cccc2ccccc12,C40701473_decoy,CP3A4,Decoy,0 +CCN(c1nc[nH+]c(Nc2cccc3cccnc23)c1N)c1cccc2ccccc12,C40701978_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)c1,C40704516_decoy,CP3A4,Decoy,0 +CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)C1,C40734847_decoy,CP3A4,Decoy,0 +Cc1cccc(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)c1C,C40755057_decoy,CP3A4,Decoy,0 +Cc1nc(Nc2nc[nH+]c(NN(c3ccccc3)c3ccccc3)c2N)sc1C,C40777792_decoy,CP3A4,Decoy,0 +Nc1c(Nc2ccc(Br)cn2)nc[nH+]c1Nc1ccc(Cl)cn1,C40779312_decoy,CP3A4,Decoy,0 +COc1ccccc1Nc1[nH+]cnc(N(Cc2ccccc2)c2ccccn2)c1N,C40781572_decoy,CP3A4,Decoy,0 +Cc1ccc2c(Nc3ncnc(Oc4cc(C)c(Cl)c(C)c4)c3N)cccc2[nH+]1,C40798055_decoy,CP3A4,Decoy,0 +Cc1ccc2c(Nc3ncnc(Oc4ccc(Br)cc4)c3N)cccc2[nH+]1,C40802272_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1/C(=N/Nc1ccccc1)CCC2,C40824263_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=O)Nc1c(O)oc2ccccc2/c1=[NH+]\C1CCCC1,C45896346_decoy,CP3A4,Decoy,0 +C[NH2+][C@@H](c1ccc(I)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br,C52094535_decoy,CP3A4,Decoy,0 +C[NH2+][C@H](c1ccc(I)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br,C52094536_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](c1ccc(Br)s1)c1cc2[nH]c(=O)[nH]c2cc1Br,C52094584_decoy,CP3A4,Decoy,0 +CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc2[nH]c(=O)[nH]c2cc1Br,C52094601_decoy,CP3A4,Decoy,0 +Oc1ccc2ccccc2c1/C=N/[NH+]=C(\Nc1ccccc1)c1nc2ccccc2[nH]1,C45626250_decoy,CP3A4,Decoy,0 +Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccc(I)cc1,C25336437_decoy,CP3A4,Decoy,0 +CC1(C)CC(NCc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCCC4)CC(C)(C)[NH2+]1,C20590097_decoy,CP3A4,Decoy,0 +CC1(C)CC(NCc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC(C)(C)[NH2+]1,C20621653_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(=O)Nc1cccc(C)c1C,C08492867_decoy,CP3A4,Decoy,0 +CC(C)CC(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)cc1,C58308539_decoy,CP3A4,Decoy,0 +CC(C)(C)c1cc(O)c2o/c(=[NH+]\c3ccc(Cl)cc3Cl)c(C(N)=S)cc2c1,C59170935_decoy,CP3A4,Decoy,0 +CC(C)(C)c1cc(O)c2o/c(=[NH+]\c3ccc(Br)cc3)c(C(N)=S)cc2c1,C59170998_decoy,CP3A4,Decoy,0 +C[C@]12CC3CC([NH2+]Cc4cc(Br)ccc4OCC(N)=O)(C1)C[C@@](C)(C3)C2,C20873031_decoy,CP3A4,Decoy,0 +C[C@H]1CC(=O)N2[C@H](NC(NCCC3=c4ccccc4=[NH+]C3)=N[C@@H]2[C@H]2CC=CCC2)N1,C63633429_decoy,CP3A4,Decoy,0 +[NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)Nc1ccccc1,C66246678_decoy,CP3A4,Decoy,0 +O=P1(c2ccccc2)Nc2cc(Cl)c(Cl)cc2N1,C02022481_decoy,CP3A4,Decoy,0 +C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]3CC/C(=N\N)[C@]3(C)CC[C@@H]12,C05276449_decoy,CP3A4,Decoy,0 +CC(C)c1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2,C05648526_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(NC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1,C05637159_decoy,CP3A4,Decoy,0 +O[C@]12CCCC[C@@H]1C1(CCCCC1)O[C@@]1(O)CCCC[C@H]21,C12436943_decoy,CP3A4,Decoy,0 +Cc1ccc(Oc2ccc(C(F)(F)F)cc2N)c(Cl)c1,C12447191_decoy,CP3A4,Decoy,0 +C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]1(C)O,C12897713_decoy,CP3A4,Decoy,0 +S=C(NC1CCCC1)NC12CC3CC(CC(C3)C1)C2,C13819486_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(C(=O)c2c(N)sc3c2CCCC3)cc1,C13999036_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2,C14473969_decoy,CP3A4,Decoy,0 +CC(C)c1cccc(Oc2ccc(C(F)(F)F)cc2N)c1,C14629502_decoy,CP3A4,Decoy,0 +CC[C@@H](Nc1cccc2ccccc12)c1ccc(O)cc1,C19900872_decoy,CP3A4,Decoy,0 +Oc1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21,C20698664_decoy,CP3A4,Decoy,0 +NC(=S)c1ccccc1Oc1cccc(Cl)c1Cl,C21061699_decoy,CP3A4,Decoy,0 +Nc1cccc(Cl)c1Oc1ccc(Cl)c2cccnc12,C21788423_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)c2ccccc2)C1,C31862579_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(Cc2ccc3c(c2)CCCC3)cc1N,C32127078_decoy,CP3A4,Decoy,0 +Cc1ccc(N)c(OCCC2=CC[C@H]3C[C@@H]2C3(C)C)c1,C33421560_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1,C34934770_decoy,CP3A4,Decoy,0 +Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)O2,C36142614_decoy,CP3A4,Decoy,0 +CCc1ccc(-c2nc3sc4c(n3c2N)CC[C@H](C)C4)cc1,C36290569_decoy,CP3A4,Decoy,0 +Oc1cccc2c1CC[C@H]2Nc1ccccc1SC(F)F,C36851909_decoy,CP3A4,Decoy,0 +Cc1ccc(NC2CCC(C(C)(C)C)CC2)c(C)c1O,C37130342_decoy,CP3A4,Decoy,0 +Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c(C)c1O,C37130478_decoy,CP3A4,Decoy,0 +Nc1c(Cl)cc(Cl)cc1-c1nc2cc(F)ccc2s1,C37205121_decoy,CP3A4,Decoy,0 +Cc1n[nH]c(C)c1N[C@@H]1CCCC[C@@H]1C1CCCCC1,C37261635_decoy,CP3A4,Decoy,0 +Nc1cc(F)cc(Br)c1OCC1CCCCC1,C37288777_decoy,CP3A4,Decoy,0 +Cc1ccc(N[C@@H](c2ccccc2)C(C)C)c(C)c1O,C37316542_decoy,CP3A4,Decoy,0 +Nc1cccc(Cl)c1Sc1ccccc1Br,C37381058_decoy,CP3A4,Decoy,0 +CCN(c1cccc(F)c1N)c1cccc2ccccc12,C37419075_decoy,CP3A4,Decoy,0 +NC(=S)c1ccc(COc2c(Cl)cccc2Cl)cc1,C37543593_decoy,CP3A4,Decoy,0 +O[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1Cl,C37690970_decoy,CP3A4,Decoy,0 +CCC[C@@H]1CCc2nc(-c3ccc(N)cc3)sc2C1,C37743365_decoy,CP3A4,Decoy,0 +O[C@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1Cl,C37874024_decoy,CP3A4,Decoy,0 +Cc1ccc(N[C@H]2CCCCC[C@H]2O)c(Br)c1,C37874497_decoy,CP3A4,Decoy,0 +Cc1ccc(C(C)(C)C)cc1C(=O)c1ccc(Cl)c(N)c1,C41514727_decoy,CP3A4,Decoy,0 +Nc1cc(C2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,C41544854_decoy,CP3A4,Decoy,0 +N[C@@H](c1cc2ccccc2s1)c1cc(Cl)ccc1Cl,C48855070_decoy,CP3A4,Decoy,0 +CCCc1nc(N)sc1Cc1ccc2ccccc2c1,C50266410_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(SCc2cc3ccccc3nc2N)c1,C50837324_decoy,CP3A4,Decoy,0 +CCc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)s1,C52902354_decoy,CP3A4,Decoy,0 +Cc1ccc(CNc2ccc([NH+](C)C)cc2C)c(C)c1,C57667828_decoy,CP3A4,Decoy,0 +Nc1nc(-c2cc(F)cc(F)c2)c(C2CCCCC2)s1,C41659115_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@@H](C)CCC[C@H]1NC(=S)NC1CCCCCC1,C59112512_decoy,CP3A4,Decoy,0 +CCN(c1ccc(F)cc1)c1ccc(Br)cc1N,C50013183_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nc3c(C)c(C)c(N)c(C)c3o2)cc1,C62540370_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1Oc1c(N)ccc(F)c1F,C63061514_decoy,CP3A4,Decoy,0 +CC(C)c1ccccc1NC(=S)NC1CCCCC1,C13684321_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=S)N[C@@H]2CCSc3ccccc32)cc1,C07143750_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=S)N/N=C2\CCCC[C@H]2C)cc1,C13683587_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=S)N(CCC[NH+](CC)CC)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1,C06078163_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)cc(C)c3OC)cc2)CC1,C08898299_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@@H]1N=C(c2ccc(Br)cc2)C[C@H](c2cccc(OCC)c2O)[NH2+]1,C09543093_decoy,CP3A4,Decoy,0 +CC[C@@H](C)Cc1c(C)sc2nc(C[NH+](C)CC(=O)Nc3ccccc3Br)[nH]c(=O)c12,C09882792_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,C10129854_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)[NH+]2CCCCC2)cc1,C11658471_decoy,CP3A4,Decoy,0 +COc1cccc(C[NH+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O,C11880226_decoy,CP3A4,Decoy,0 +C[NH+](C)CC(C)(C)CNC(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O,C11999686_decoy,CP3A4,Decoy,0 +C=CCOc1ccccc1C[NH+]1CCC(O)(c2ccc3oc(C(=O)NC[C@@H]4CCCO4)cc3c2)CC1,C12279683_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[NH+]1CC,C12635663_decoy,CP3A4,Decoy,0 +CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)cc2c1,C12566635_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549519_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(O)c1,C15002743_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(O)c1,C15002746_decoy,CP3A4,Decoy,0 +CCOCCCN1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(=O)NCCC[NH+]2CCCC[C@@H]2C)c1,C16457351_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1,C16688464_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1,C17909267_decoy,CP3A4,Decoy,0 +CC(C)C[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCC[NH+]1CCC(C)CC1,C20116217_decoy,CP3A4,Decoy,0 +COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(F)cc1Cl,C20876231_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C(=S)Nc2cc(C(F)(F)F)ccc2Cl)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,C22746021_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H](CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl)[NH+]1CCCC1,C23980726_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl)[NH+]1CCCC1,C23980732_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCC[NH+]1CC(=O)Nc1ccccc1Cc1ccccc1,C24214844_decoy,CP3A4,Decoy,0 +CCCCNC(=O)C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1,C28009011_decoy,CP3A4,Decoy,0 +O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1,C31056671_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3nc(C[NH+](Cc4ccccc4)C[C@@H](O)COC(C)C)[nH]c(=O)c23)c(C)c1,C35746400_decoy,CP3A4,Decoy,0 +C=CCOC[C@@H](O)C[NH+](Cc1ccccc1)Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1,C35746968_decoy,CP3A4,Decoy,0 +CCC[C@H](O)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCN(Cc1ccccc1)C3)Cc1ccco1,C36155924_decoy,CP3A4,Decoy,0 +CC(C)[NH+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@H](O)COCc1ccco1,C36207771_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1,C23485798_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1,C23485802_decoy,CP3A4,Decoy,0 +COc1cccc([C@H](Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1OC,C38547457_decoy,CP3A4,Decoy,0 +COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1,C36694527_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C(=S)Nc2ccc(C(F)(F)F)cc2Cl)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,C39422118_decoy,CP3A4,Decoy,0 +O=C(CSC1=NN[C@@H](c2ccc(Cl)cc2)N1c1ccccc1)N/N=C/C1=c2ccccc2=[NH+]C1,C39584757_decoy,CP3A4,Decoy,0 +CCOc1ccccc1CCNC(=O)[C@H]1CN(C(=O)c2cccc(Br)c2)CC12CC[NH2+]CC2,C39652633_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](Oc1ccccc1)C(=O)N1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C2(CC[NH2+]CC2)C1,C39672295_decoy,CP3A4,Decoy,0 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+O=C(NCCC1=c2ccccc2=[NH+]C1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl,C63254423_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)/N=C(/NCCC2=c3ccccc3=[NH+]C2)Nc2ccccc2F)cc1OCC,C63589336_decoy,CP3A4,Decoy,0 +C[C@@H]1[NH+]=c2ccccc2=C1SCC1=NN[C@@H](SCC(=O)Nc2cccc(C(F)(F)F)c2)N1C,C63598808_decoy,CP3A4,Decoy,0 +COc1cccc(OC)c1OC[C@@H](O)CNC(=O)CCC1=c2cc(F)ccc2=[NH+][C@@H]1c1ccccc1,C63974673_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2cc(C)c(C)cc2s1,C09323275_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)cc1,C10065854_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1nc2c(OC)ccc(OC)c2s1,C10067384_decoy,CP3A4,Decoy,0 +CCOc1cc(C(=O)N(CCC[NH+](C)C)c2nc3cc(C)cc(C)c3s2)cc(OCC)c1OCC,C10068588_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2c(S(C)(=O)=O)cccc2s1,C10815081_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)CSC1C[NH+](C(c2ccccc2)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1,C12367386_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2cc(C)c(C)cc2s1,C12499537_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c(C[NH+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1,C13034018_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1C1CCCC1)[NH+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O,C13063821_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C1CCCC1)[NH+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C13064829_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C1CCCCC1)[NH+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,C13065055_decoy,CP3A4,Decoy,0 +COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1,C09174967_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccs1,C08905372_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1C1CCCC1)[NH+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O,C13495802_decoy,CP3A4,Decoy,0 +CCC[C@@H](c1nnnn1C1CCCC1)[NH+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1,C13499240_decoy,CP3A4,Decoy,0 +CCC[C@@H](c1nnnn1C1CCCCC1)[NH+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1,C13499250_decoy,CP3A4,Decoy,0 +CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1,C13499492_decoy,CP3A4,Decoy,0 +CCC[C@H](c1nnnn1Cc1ccccc1)[NH+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1,C13500067_decoy,CP3A4,Decoy,0 +CCC[C@H](c1nnnn1C(C)(C)CC)[NH+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1,C13500115_decoy,CP3A4,Decoy,0 +CCC[C@H](c1nnnn1Cc1ccccc1)[NH+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1,C13500159_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1CCc1ccccc1)[NH+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1,C13501154_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1CCc1ccccc1)[NH+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1,C13501172_decoy,CP3A4,Decoy,0 +COc1ccccc1/C=C/CN(CC[NH+]1CCN(C(=O)NC(C)(C)C)CC1)C(=O)c1ccc(C)cc1,C16430009_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)C[NH+]2CCC(C(=O)OCC)CC2)sc2c1CC[C@@H](C)C2,C16476458_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(C)o1,C09042319_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1,C22444258_decoy,CP3A4,Decoy,0 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+Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCC3=c4ccccc4=[NH+]C3)cc2)cc1,C63730140_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NCCC1=c2ccccc2=[NH+]C1,C63809596_decoy,CP3A4,Decoy,0 +CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1=c2ccccc2=[NH+]C1,C63864641_decoy,CP3A4,Decoy,0 +C=C(C)COc1cc(C)cc2c1[C@H](C)[C@@H](CC(=O)NCCC1=c3cc(OC)ccc3=[NH+]C1)C(=O)O2,C64600405_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCC2,C04194741_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=N/n1c(-c2ccco2)n[nH]c1=S,C01299255_decoy,CP3A4,Decoy,0 +C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1,C04704466_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)nc1,C01097172_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)sc2c1CCC2,C04839851_decoy,CP3A4,Decoy,0 +Cc1nc(SCC(=O)Nc2ccccc2C#N)c2oc3ccccc3c2n1,C02403225_decoy,CP3A4,Decoy,0 +C/C(=N\Cc1cccc(C)c1)C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O,C04817882_decoy,CP3A4,Decoy,0 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+Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3N3CCCC3)c12,C22652310_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC,C27501192_decoy,CP3A4,Decoy,0 +Cn1ccs/c1=N/C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1,C29778376_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1ncc(-c2ccccc2)nc1=O,C33324551_decoy,CP3A4,Decoy,0 +C/C(=N\NC(=O)[C@H]1C=C(c2ccc(Br)cc2)N=N1)c1ccco1,C38626355_decoy,CP3A4,Decoy,0 +COc1ccc2ccccc2c1/C=N\NC1=CN=NC(=O)[C@H]1Br,C38818813_decoy,CP3A4,Decoy,0 +CCSc1nnc(NC(=O)[C@H]2CC(=O)c3cc(Cl)ccc3O2)s1,C39022482_decoy,CP3A4,Decoy,0 +CCNC(=O)c1ccc([C@H]2CCCN2C(=O)[C@@H]2N=NC3=C2CCCC3)s1,C39478882_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC2=C3C(=O)N=C(COC(=O)c4ccc(O)cc4)N=C3S[C@@H]2C1,C39741628_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)/N=C1/NCCS1,C39748043_decoy,CP3A4,Decoy,0 +Cc1ccc(CN2C[C@H](c3noc(-c4ccc5cc[nH]c5c4)n3)CC2=O)cc1,C44425528_decoy,CP3A4,Decoy,0 +Cc1ccccc1CN1C[C@@H](c2noc(-c3cc4ccccc4[nH]3)n2)CC1=O,C44430019_decoy,CP3A4,Decoy,0 +O=C(Nc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1Br,C45626602_decoy,CP3A4,Decoy,0 +CCSc1ccccc1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1,C47857403_decoy,CP3A4,Decoy,0 +Cn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4F)ccc32)n1,C48428193_decoy,CP3A4,Decoy,0 +CCc1cccc(N2C[C@H](c3noc(-c4cc5ccccc5[nH]4)n3)CC2=O)c1,C49060775_decoy,CP3A4,Decoy,0 +Cc1cc(F)ccc1S(=O)(=O)Nc1cc(N2CCOC2=O)ccc1F,C57122371_decoy,CP3A4,Decoy,0 +C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(O)cc2)o1,C04217810_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nnn(CC(=O)Nc2ccccc2Br)n1,C09160913_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c2sc(NC(=O)CCn3ncc(=O)c4ccccc43)nc12,C52938224_decoy,CP3A4,Decoy,0 +CCN1C[C@H](CN(C)C(=O)c2[nH]c3c(c2C)C(=O)CCC3)Oc2ccccc21,C58349261_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)N1CCCC1,C46909793_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1CNc1ccc(I)cc1[N+](=O)[O-],C63255259_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)s1,C64245184_decoy,CP3A4,Decoy,0 +CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)N[C@@H](C)c2ccccn2)C3)CC1,C65289552_decoy,CP3A4,Decoy,0 +CSc1ccccc1NC(=O)c1nnn(-c2cccc3ncccc23)c1C,C66752510_decoy,CP3A4,Decoy,0 +CN(C)C(=O)Sc1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1,C67022735_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)NC(=O)c2nnn(-c3cccc4cccnc34)c2C)s1,C67145786_decoy,CP3A4,Decoy,0 +Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cccc(C)c2C)c(=O)c1=O,C67320390_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1,C67470485_decoy,CP3A4,Decoy,0 +O=C(Nc1nnc(C(F)F)s1)c1cc(-c2ccco2)nc2ccccc12,C67524312_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(C)n4n3)cc2)s1,C05150858_decoy,CP3A4,Decoy,0 +O=C(NC1=NCCS1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,C06527064_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCC4)no1,C07175868_decoy,CP3A4,Decoy,0 +Cn1c(=O)[nH]c(=O)c2c1nc1n(CCc3ccccc3)c(-c3ccccc3)cn21,C08642814_decoy,CP3A4,Decoy,0 +CCSc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)[C@@H]1C(=O)CCCC1=N2,C09331334_decoy,CP3A4,Decoy,0 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+Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1,C36124226_decoy,CP3A4,Decoy,0 +COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C,C36372148_decoy,CP3A4,Decoy,0 +CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C26503388_decoy,CP3A4,Decoy,0 +CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1,C38608043_decoy,CP3A4,Decoy,0 +CC1(C)CN(S(=O)(=O)Oc2ccccc2)C(=O)N1CC1(C2CCCCC2)CCN(Br)CC1,C39486996_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)sc2c1,C10528466_decoy,CP3A4,Decoy,0 +CCCCCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1OC,C39911191_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC,C39911354_decoy,CP3A4,Decoy,0 +COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H](Br)C(=O)[C@]12C,C39945903_decoy,CP3A4,Decoy,0 +CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@H](C)C2)SC1=S,C39989755_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2cccc(C)n2)ccc1OCCC(C)C,C40045290_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2coc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3)n2)C1,C35338213_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCC(=O)c3ccc(Br)cc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1,C01242466_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1,C01816100_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1,C01816101_decoy,CP3A4,Decoy,0 +C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1,C01836912_decoy,CP3A4,Decoy,0 +CCOc1ccc(-n2c(SCC(=O)c3ccc(Br)cc3)nc3sc4c(c3c2=O)CCCC4)cc1,C01871471_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(C)C(c4ccccc4)c4ccccc4)nnc23)c1,C02626053_decoy,CP3A4,Decoy,0 +CC(=O)N(c1ccccc1)c1nc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)cs1,C03429785_decoy,CP3A4,Decoy,0 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+COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1,C35698854_decoy,CP3A4,Decoy,0 +COc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1,C35781260_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1,C35815134_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(-n2cc(-c3ccccc3)[nH]/c2=N\C(=O)CN(CC[NH+](C)C)C(=O)c2cccs2)cc1,C36046196_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1,C36303533_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[NH+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1,C36303536_decoy,CP3A4,Decoy,0 +COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=S)Nc1ccc(F)cc1,C36312898_decoy,CP3A4,Decoy,0 +Cc1cccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1,C37427443_decoy,CP3A4,Decoy,0 +C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1,C13009096_decoy,CP3A4,Decoy,0 +COc1cc(C2=NC(C(=O)NCCc3ccc(Cl)cc3)=CC3=c4ccccc4=[NH+][C@@H]23)cc(OC)c1OC,C38563965_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N3CC[NH+](C)CC3)ccc21,C38673069_decoy,CP3A4,Decoy,0 +COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](C[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2,C39293341_decoy,CP3A4,Decoy,0 +CCOC1=C[C@@H]2C[C@H]3CO[P@](=O)(Cc4ccccc4)N[NH+]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1,C39466934_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+]2CCCC2)cc1,C40323047_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OCc1c(F)cccc1Cl,C40744723_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C2CC2)C1)Nc1ccc(-n2ccccc2=O)cc1F,C43012581_decoy,CP3A4,Decoy,0 +Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCC[C@@H](C)C4)cc3)ccc2C)c(C)c1,C44878378_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)[NH+](C)C)cc1,C49488690_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(Nc2cc3nc4ccc(N(C)C)cc4[n+](-c4ccccc4)c3cc2Nc2ccccc2)cc1,C43199470_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nnc2C2=c3ccccc3=[NH+]C2)c1,C63182425_decoy,CP3A4,Decoy,0 +CC(=O)[C@@H]1CC[C@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCC[C@@H]5C=c6ccccc6=[NH+]5)CC[C@]4(C)[C@@H]3CC[C@]12C,C63351381_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O,C63362077_decoy,CP3A4,Decoy,0 +COc1ccc(C2=N[C@@H]3C(C(=O)NCCC4=c5cc(Cl)ccc5=[NH+]C4)=CNN3C(C(F)(F)F)=C2)cc1,C63546966_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1,C45912811_decoy,CP3A4,Decoy,0 +O=C(C[C@@H]1CSc2ccccc2NC1=O)Nc1ccccc1,C00984119_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)c(C)c1,C01320531_decoy,CP3A4,Decoy,0 +COc1ccc2cc(CNc3ccc(C)cc3)c(=O)[nH]c2c1,C00421140_decoy,CP3A4,Decoy,0 +Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1cccc2ccccc12,C07154641_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1cc2c(s1)CCCC2)c1cccs1,C08514628_decoy,CP3A4,Decoy,0 +O=C1/C(=C\Nc2cccc(O)c2)SC(=S)N1C1CCCC1,C09422798_decoy,CP3A4,Decoy,0 +COc1ccc(NCc2cc3cccc(C)c3[nH]c2=O)cc1,C05589891_decoy,CP3A4,Decoy,0 +O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccccc1,C14898303_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)cc1,C02601606_decoy,CP3A4,Decoy,0 +CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCC(C)C)(C3)C2,C18117538_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([C@@H](C)O)cc2)C1,C35634033_decoy,CP3A4,Decoy,0 +O=S(=O)(NCC1(O)CCCC1)c1ccc(Cl)s1,C36110509_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc(N[C@H]2CCc3c(O)cccc32)cc1,C36852027_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)NC(=O)CCl)C12CC3CC(CC(C3)C1)C2,C36905767_decoy,CP3A4,Decoy,0 +CC(C)[C@H](Br)C(=O)Nc1ccc2c(c1)CCC(=O)N2,C37000760_decoy,CP3A4,Decoy,0 +CCN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1C,C37055767_decoy,CP3A4,Decoy,0 +Nc1cccnc1SCc1cc(Cl)c2c(c1)OCCO2,C37190426_decoy,CP3A4,Decoy,0 +Cc1cc(S(=O)(=O)NC2CCCC2)ccc1C#CCO,C37576984_decoy,CP3A4,Decoy,0 +Cc1nc(C)c([C@H](C)Nc2ccc(Br)cc2)c(=O)[nH]1,C37642678_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(Sc2ccc3c(c2)CCC3)nc1,C08429735_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(Br)c1,C37983340_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c(N)c1,C40349053_decoy,CP3A4,Decoy,0 +Cc1ccc(N)cc1S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1C,C42269791_decoy,CP3A4,Decoy,0 +O=C(NCc1ccco1)Nc1ccc(Br)cc1F,C43260432_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2c(N)cccc2F)C1,C45148091_decoy,CP3A4,Decoy,0 +O=C1NCCCC[C@@H]1NC(=O)C1(c2ccc(F)cc2)CCCC1,C47172957_decoy,CP3A4,Decoy,0 +Cc1cc(N)ccc1S(=O)(=O)N(C)CC1CCCCC1,C48466221_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)NC1CC1,C48494175_decoy,CP3A4,Decoy,0 +C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)CCC[C@@H]1C,C48685431_decoy,CP3A4,Decoy,0 +Cc1cc([C@H](C)NC(=O)NC[C@H]2CCCOC2)c(C)s1,C48858259_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2N)C1,C49009398_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2c(F)cc(N)cc2F)C1,C49009664_decoy,CP3A4,Decoy,0 +C#CCNC(=O)Nc1c(C)cc(Br)cc1OC,C49204981_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H]1CNC(=O)c1[nH]nc(C2CC2)c1Br,C49219092_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1CCOC1)c1ccc(Br)cc1O,C49450046_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1Cn1nc(C)c(N)c1C,C49596207_decoy,CP3A4,Decoy,0 +Cc1ccc(O)c(C2=NO[C@](O)(C(F)(F)C(F)F)C2)c1,C13124879_decoy,CP3A4,Decoy,0 +CNc1ccccc1S(=O)(=O)Nc1ccc(F)cc1C,C50649162_decoy,CP3A4,Decoy,0 +CNc1ccccc1C(=O)Nc1ccc(Br)cn1,C50745057_decoy,CP3A4,Decoy,0 +Nc1snnc1COc1ccc(Br)cc1F,C50832734_decoy,CP3A4,Decoy,0 +CO[C@H]1CCC[C@@H]1n1c(C(F)(F)F)nc2cc(N)ccc21,C52853404_decoy,CP3A4,Decoy,0 +Nc1ccc2c(c1)nc(C(F)(F)F)n2C[C@H]1CCCOC1,C52854487_decoy,CP3A4,Decoy,0 +O=C(NNC(=O)c1ccccc1Cl)c1ccc2c(c1)CCC2,C15032032_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(Cc3c(C)noc3C)n2)cc1N,C58014955_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](O)c1cc(Cl)c2c(c1)CC(=O)N2,C58109358_decoy,CP3A4,Decoy,0 +C#Cc1cccc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c1,C48570028_decoy,CP3A4,Decoy,0 +CN(Cc1cccc(Br)c1)c1ncnc(Cl)c1N,C62363174_decoy,CP3A4,Decoy,0 +C#CCN1C(=O)[C@@H](Cc2ccc(C)cc2)Oc2cc(N)ccc21,C62497604_decoy,CP3A4,Decoy,0 +CCC1(C)CCN(S(=O)(=O)c2cccc(N)c2C)CC1,C62952742_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H](CC(=O)N2CCC(C(N)=O)CC2)CC(C)(C)C1,C66268095_decoy,CP3A4,Decoy,0 +Cc1nn2c3cc(N4CC[NH2+]CC4)ccc3nc2c2ccccc12,C04703672_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(O)c(C[NH+](C)CN2C(=O)c3ccccc3C2=O)c1,C01569517_decoy,CP3A4,Decoy,0 +CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC[C@H]3CCCC[C@@H]31)C2=O,C07142886_decoy,CP3A4,Decoy,0 +CC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2c1cc(C2CCCC2)nn1C,C08635867_decoy,CP3A4,Decoy,0 +Cc1nnsc1C(=O)N[C@H]1CCC[NH+](C2CCCCCC2)C1,C11934698_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2CC[C@]3(CCC[NH+](CC(C)(C)C)C3)C2)c(=O)[nH]c1C,C12204160_decoy,CP3A4,Decoy,0 +O=C1C[NH+](Cc2c(-c3ccccc3)nc3sccn23)CCN1,C07285839_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[NH+]([C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1,C14186435_decoy,CP3A4,Decoy,0 +CC[C@]12C=CC[NH+]3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32,C14829309_decoy,CP3A4,Decoy,0 +O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[NH+](Cc2ccccc2)C1,C15674075_decoy,CP3A4,Decoy,0 +Cc1ncc2c(c1-c1noc(C[C@@H]3CCc4ccccc43)n1)CC[NH2+]C2,C19145996_decoy,CP3A4,Decoy,0 +CCc1c(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)csc1C,C20999518_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(C)cc1C,C21868563_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@]12NC(=O)N(C[NH+](C1CCCC1)C1CC1)C2=O,C24656433_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2c(sc3nc(CN4CC[NH+](C)CC4)[nH]c(=O)c23)C1,C35744607_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2cc[nH]c2c1,C36092353_decoy,CP3A4,Decoy,0 +O=C1C=CC(Br)=C/C1=C\N/N=C1\C[C@@H](c2ccccc2)[NH+]=N1,C04754592_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1S(=O)(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21,C36266414_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1S(=O)(=O)N1[C@@H](C)C[C@H]2C[NH2+]C[C@@H]21,C36266417_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1cc(C[NH2+]C2CCOCC2)ccc1Br,C37269479_decoy,CP3A4,Decoy,0 +CN(C)c1cc[nH+]cc1NC(=O)c1cc(Cl)nc(Cl)c1,C38103468_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2C[C@H](c3cccc(F)c3)N3NC=NC3=[NH+]2)cc1,C07736325_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2cc3c(cc2=C[C@@H]1CNc1ccc(F)cc1)OCCO3,C38789235_decoy,CP3A4,Decoy,0 +O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/C1=c2ccccc2=[NH+]C1,C39287410_decoy,CP3A4,Decoy,0 +C[NH+]1CC[C@@]23C=C[C@H](O[C@@H]4CCCCO4)C[C@@H]2Oc2c(O)ccc(c23)C1,C39293833_decoy,CP3A4,Decoy,0 +O=C(CS[C@H]1NN=C2CCCCCN21)C1=c2ccccc2=[NH+]C1,C39947295_decoy,CP3A4,Decoy,0 +C[C@H]1S/C(=N\N=C\C2=c3ccccc3=[NH+][C@H]2c2ccccc2)NC1=O,C39843578_decoy,CP3A4,Decoy,0 +Cc1cccc2[nH+]c(CN3CCN(c4ccccc4O)CC3)cn12,C40539394_decoy,CP3A4,Decoy,0 +CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccccc3Br)no2)C1,C43560589_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCC[C@@H](C)C3)C2=O)o1,C02439484_decoy,CP3A4,Decoy,0 +C[NH2+][C@H](c1cc2c(cc1Br)n(C)c(=O)n2C)[C@@H]1CCOC1,C51928681_decoy,CP3A4,Decoy,0 +O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1cccs1,C54371100_decoy,CP3A4,Decoy,0 +Cc1cc(-n2nnnc2C[NH2+]C(C)C)ccc1Br,C54744321_decoy,CP3A4,Decoy,0 +C[NH2+]Cc1nnnn1-c1cc(Br)ccc1Br,C54762340_decoy,CP3A4,Decoy,0 +Cc1cccn2cc(CN3CCN(c4ccc(O)cc4)CC3)[nH+]c12,C48614225_decoy,CP3A4,Decoy,0 +C[NH+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1,C44537855_decoy,CP3A4,Decoy,0 +CC1CCC([NH+]2CCC(N(C)C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)CC1,C61290676_decoy,CP3A4,Decoy,0 +C[NH2+][C@@H](c1cscn1)c1cc2c(cc1Br)n(C)c(=O)n2C,C62357119_decoy,CP3A4,Decoy,0 +C[NH2+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Br,C63169426_decoy,CP3A4,Decoy,0 +O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)N1CCc2ccccc21,C63271865_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccco1)[C@@H]1C=c2cc(Br)ccc2=[NH+]1,C63637416_decoy,CP3A4,Decoy,0 +CC(=O)c1c(C)[nH]c(C(=O)N2CCC[NH+](C(C)(C)C)CC2)c1C,C63725758_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C(CC(=O)N[C@H](C)c1cnn(C)c1C)[C@H](C)[NH+]=2,C63913513_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1C=c2ccccc2=[NH+]C1=O)Nc1cccc2ncccc12,C63944030_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1=Cc2ccccc2OC1,C30297574_decoy,CP3A4,Decoy,0 +COc1c(F)cc([C@@H]2CC(=O)NCc3[nH+]c4cc(C)ccn4c32)cc1F,C65489673_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2CCC[NH+]2CC(=O)Nc2c(C)nn(C)c2C)cc1,C65591908_decoy,CP3A4,Decoy,0 +O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCOC1,C66898934_decoy,CP3A4,Decoy,0 +CC(=O)Nc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)ccc1C,C67209076_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cc3ccccc3[nH]c2=O)C1,C67340660_decoy,CP3A4,Decoy,0 +[O-][n+]1ccccc1Sc1nnc(Cc2ccccc2)c2ccccc12,C00003374_decoy,CP3A4,Decoy,0 +O=C(Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1,C00383176_decoy,CP3A4,Decoy,0 +Cc1ccc2c(COC(=O)c3cc4c(s3)CCC4)cc(=O)oc2c1,C04581442_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c(OC)c1,C00432590_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1,C05128188_decoy,CP3A4,Decoy,0 +CC[C@H](C)c1ccccc1OCc1cc(=O)n2cc(C)ccc2n1,C02653635_decoy,CP3A4,Decoy,0 +O=C(CCl)n1ccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)n1,C06244368_decoy,CP3A4,Decoy,0 +COC(=O)/C=C/c1cccn1C(=O)c1c(Cl)cccc1Cl,C01610229_decoy,CP3A4,Decoy,0 +CCC(=O)c1ccc(Oc2ncnc3sc4c(c23)CCC4)cc1,C03285536_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)c(C)c1C,C06637720_decoy,CP3A4,Decoy,0 +CCOC(=O)/C(C#N)=C/c1ccc2c(c1)Sc1ccccc1N2C,C03216640_decoy,CP3A4,Decoy,0 +CCCCCN1C(=O)C2(OCCO2)c2ccc(Cl)c(Cl)c21,C08047285_decoy,CP3A4,Decoy,0 +O=C(Cc1coc2ccc3ccccc3c12)Oc1cccc2cccnc12,C08520476_decoy,CP3A4,Decoy,0 +O=C(c1cccs1)N(Cc1ccco1)c1nc2c(F)cccc2s1,C10527687_decoy,CP3A4,Decoy,0 +O=Cc1cc(Br)ccc1Oc1cc(-c2ccccc2)ncn1,C11849458_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)o1,C12923174_decoy,CP3A4,Decoy,0 +Cn1cccc1/C(C#N)=C/c1ccc(-n2cc(C=O)c3ccccc32)cc1,C04053182_decoy,CP3A4,Decoy,0 +c1csc(-c2nnc(SCc3nc4ccccc4s3)o2)c1,C16633946_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)c(OC)c1,C17242851_decoy,CP3A4,Decoy,0 +CCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)cc1C,C19943027_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2nnnc2S[C@H](C)c2ccc(F)cc2)c(C)c1,C23524145_decoy,CP3A4,Decoy,0 +N#Cc1cccc(CN(c2ccccc2)c2nc3cccnc3s2)c1,C24914955_decoy,CP3A4,Decoy,0 +CCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C)c1,C28580332_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nnc(CSc2nc3ccccc3s2)o1,C30824451_decoy,CP3A4,Decoy,0 +CCN(C(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21)c1ccccc1,C32530673_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1CS[C@@H](C2CCCCC2)N1C(=O)C1CCCCC1,C35123711_decoy,CP3A4,Decoy,0 +Cc1cc(F)ccc1OCc1noc(-c2c(F)cccc2F)n1,C35957576_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(COc2ccccc2CBr)cc1,C37311733_decoy,CP3A4,Decoy,0 +CCCCn1c(=O)n(C2CCCC2)c(=O)c2c3c(sc21)CCC3,C37640018_decoy,CP3A4,Decoy,0 +COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,C00156678_decoy,CP3A4,Decoy,0 +CCC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21,C00267985_decoy,CP3A4,Decoy,0 +O=C(Cc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1F,C38125884_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CSc2ccc(-c3ccco3)nn2)c(C)c1,C38719069_decoy,CP3A4,Decoy,0 +C[C@@H]1C(C(=O)O[C@H]2CCC[C@@H]2C)=NC2=C1C(=O)C[C@H](c1ccccc1)C2,C39312581_decoy,CP3A4,Decoy,0 +CSN1CCC(CN2C(=O)N(F)CC2(C)C)(C2CCCCC2)CC1,C39486942_decoy,CP3A4,Decoy,0 +COC(=O)C1=C2C(=C[C@@]3(C)CC(C)(C)C[C@]2(C(=O)OC)C3)CC1(C)C,C05302939_decoy,CP3A4,Decoy,0 +Clc1ccc(-c2nc(CSc3nncc4ccccc34)co2)cc1,C40057609_decoy,CP3A4,Decoy,0 +CCOc1ccccc1-c1cn2nc(C3CCCCC3)sc2n1,C40963797_decoy,CP3A4,Decoy,0 +[N-]=[N+]=NCCOc1c(Br)cccc1Br,C42416180_decoy,CP3A4,Decoy,0 +Fc1ccc(-c2cnc(SCc3nnsc3Cl)o2)cc1,C45765405_decoy,CP3A4,Decoy,0 +c1ccc2oc(CCCSc3ncnc4ccccc34)nc2c1,C48374608_decoy,CP3A4,Decoy,0 +CCCn1c(=O)oc2cc([C@@H](Br)c3occc3C)ccc21,C51392206_decoy,CP3A4,Decoy,0 +Cc1ncsc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1,C54857164_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cccc(Cl)c1C,C32410145_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2ccccc2)N=C(/C=C/c2ccccc2)N1c1nccs1,C59231815_decoy,CP3A4,Decoy,0 +N#Cc1ccc(/C=N/c2ccccc2/N=C/c2ccc(C#N)cc2)cc1,C59518305_decoy,CP3A4,Decoy,0 +Cn1/c(=N/C(=O)CCC(=O)c2cccs2)sc2ccccc21,C16005018_decoy,CP3A4,Decoy,0 +C=CCN(C(=O)c1ccc(Cl)o1)c1nc2c(s1)CCCC2,C60581029_decoy,CP3A4,Decoy,0 +CC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Br)cc1,C61570426_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nc(C(=O)N(C)[C@H](C)c2ccco2)cs1,C66289372_decoy,CP3A4,Decoy,0 +Cc1c(/C=N/NC(=O)c2ccncc2)c(Cl)nn1-c1ccccc1,C00510298_decoy,CP3A4,Decoy,0 +Cc1cc(C)n2c(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)nnc2n1,C05213441_decoy,CP3A4,Decoy,0 +O=C(COc1ccccc1Cl)NN=c1c(=O)c2ccccc2c1=O,C02582108_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)NC(=O)Oc2cccc3cccnc23)cc1,C00114783_decoy,CP3A4,Decoy,0 +O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC[C@@H]1CCCO1,C03446945_decoy,CP3A4,Decoy,0 +CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=CCCCC1,C06602709_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C)cc1,C09238792_decoy,CP3A4,Decoy,0 +Cc1ccc2c(C)c(CCC(=O)Nc3nnc(C)s3)c(=O)oc2c1,C14201832_decoy,CP3A4,Decoy,0 +Cc1c([C@H](C)NC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)cnn1C,C24999880_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccn2)o1,C27653013_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](C)CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C1,C28199642_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)Cn2nc(C)c(Cl)c2C)n(C2CCCC2)n1,C28243649_decoy,CP3A4,Decoy,0 +Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCC(C)C,C32655899_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](C)NC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1,C33171679_decoy,CP3A4,Decoy,0 +Cc1nn(C)c(C)c1NCc1ccc(Br)c([N+](=O)[O-])c1,C37230932_decoy,CP3A4,Decoy,0 +CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ncn(C)c1Cl,C38106542_decoy,CP3A4,Decoy,0 +CCCN1C(=O)C(C(=O)Nc2nc(C)cs2)=C([O-])[C@@H]2CCCC[C@@H]21,C38890415_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc2ccccn12)Nc1cccc2cccnc12,C39262120_decoy,CP3A4,Decoy,0 +CCOC1=C[C@H]2C[C@@H]3CO[P@](=O)(OCC)NN3C[C@@H]2C=C1Cl,C39469536_decoy,CP3A4,Decoy,0 +C1=NN(Cc2cccs2)[C@@H]2N[C@H](c3cccc(-n4cccn4)c3)N=C12,C39485345_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=N/NC(=O)[C@H]1C=C(C)N=N1,C39584190_decoy,CP3A4,Decoy,0 +O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CC(=O)N(C2CCCC2)C1,C40111451_decoy,CP3A4,Decoy,0 +O=C(Cc1cn2ccccc2n1)Nc1nnc(C2CCCCC2)s1,C41304227_decoy,CP3A4,Decoy,0 +O=C(NCCC1=CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1,C42837658_decoy,CP3A4,Decoy,0 +CC1=C2C(=O)N=C([C@H](C)OC(=O)c3ccc(O)cc3)N=C2S[C@@H]1C,C44662426_decoy,CP3A4,Decoy,0 +Cn1cc(CC(=O)Nc2nnc(-c3ccsc3)o2)c2ccccc21,C49448732_decoy,CP3A4,Decoy,0 +COc1ccc2[nH]/c(=N\C(=O)CSc3cccc[n+]3[O-])sc2c1,C07507508_decoy,CP3A4,Decoy,0 +COc1cccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c1OC,C57390749_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1,C58201810_decoy,CP3A4,Decoy,0 +O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O,C18052206_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c(S(=O)(=O)NC2(c3noc(C)n3)CCCC2)c1,C56054858_decoy,CP3A4,Decoy,0 +O=C1COc2ccc(C(=O)CSc3ncc4ccccn34)cc2N1,C26407272_decoy,CP3A4,Decoy,0 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+N#Cc1ccc(Sc2nnc3ccc(C(F)(F)F)cn23)nc1,C42848581_decoy,CP3A4,Decoy,0 +O=c1ccc(-c2nnco2)cn1Cc1cccc(Br)c1,C43240712_decoy,CP3A4,Decoy,0 +O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C\c1csnn1,C44252628_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)O[C@@H]2C(=O)c3ccccc3O[C@H]2C)cc1,C44603801_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)O[C@H]2C(=O)c3ccccc3O[C@@H]2C)cc1,C44603804_decoy,CP3A4,Decoy,0 +Cc1csc(C(=O)N2CC(c3nc(-c4cccs4)no3)C2)c1,C49484350_decoy,CP3A4,Decoy,0 +COc1ccc(C2=Nc3ncnn3[C@H](c3cccs3)C2)cc1,C00098026_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnc(CN3CCO[C@@H]4CCCC[C@@H]43)o2)cc1,C51996653_decoy,CP3A4,Decoy,0 +O=C1OC(c2ccccc2)=N/C1=C\c1cnc(-c2ccccc2)nc1,C54422717_decoy,CP3A4,Decoy,0 +C/C=C/C(=O)N1Cc2nn(-c3cccc(C)c3)c(-n3cccc3)c2C1,C56911829_decoy,CP3A4,Decoy,0 +CCC(=O)N1Cc2nn(-c3ccccc3C)c(-n3cccc3)c2C1,C56912252_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C#N)c(SCc2cc(=O)n3ccccc3n2)n1,C18357798_decoy,CP3A4,Decoy,0 +Cc1nn2c(=O)cc(CN(C)c3cccc(C)c3C)nc2s1,C54290630_decoy,CP3A4,Decoy,0 +Cn1c(CSc2nc3ccccc3o2)nc2ccccc2c1=O,C28082932_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(/C=C2\N=C(c3ccco3)N(C)C2=O)cc1,C59231726_decoy,CP3A4,Decoy,0 +N#C/C(=C/c1cc2ccccc2o1)S(=O)(=O)c1ccccn1,C05988802_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1,C60141482_decoy,CP3A4,Decoy,0 +C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1,C60141484_decoy,CP3A4,Decoy,0 +CN(c1ccc(C#N)cc1)S(=O)(=O)c1cnc(Cl)s1,C61980149_decoy,CP3A4,Decoy,0 +CCCc1nn2c(C#N)c(-c3ccc(N(C)C)cc3)nc2s1,C62396216_decoy,CP3A4,Decoy,0 +Cc1csc(-n2nnc(C=O)c2C(Cl)(Cl)Cl)n1,C62425957_decoy,CP3A4,Decoy,0 +CC1(C)Cc2cccc(OS(=O)(=O)c3cncc(F)c3)c2O1,C63519168_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)c(C)c1,C65278020_decoy,CP3A4,Decoy,0 +CN(C)c1nc2c(c(-c3ccc(S(C)(=O)=O)cc3)n1)CCCC2,C65423767_decoy,CP3A4,Decoy,0 +Cc1nc2c3ccccc3nc(N(C)Cc3ccc(C)s3)n2n1,C66466766_decoy,CP3A4,Decoy,0 +CN(C(=O)c1ccc(-n2cnnc2)cc1)c1cccc2ccccc12,C66630077_decoy,CP3A4,Decoy,0 +CC(C)(C)c1nnc(Sc2ncc(Br)cn2)o1,C67372601_decoy,CP3A4,Decoy,0 +CC(C)(C)n1nnnc1S[C@@H]1CCCc2ccccc2C1=O,C67428896_decoy,CP3A4,Decoy,0 +CSc1nc(C)cc(N2Cc3cnc(C(C)(C)C)nc3C2)n1,C67641863_decoy,CP3A4,Decoy,0 +C[NH+]1CCC=C(c2nsnc2SCCCSc2nsnc2C2=CCC[NH+](C)C2)C1,C01536411_decoy,CP3A4,Decoy,0 +C[NH+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1)C1CCCCC1,C07002153_decoy,CP3A4,Decoy,0 +C=C(Cl)COc1nc2cc(OC)c(OC)cc2cc1C[NH2+]CCC[NH+]1C[C@@H]2C=C[C@H]1C2,C11788785_decoy,CP3A4,Decoy,0 +C[NH+](CCC1CCOCC1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1,C11934541_decoy,CP3A4,Decoy,0 +COCC[NH+](Cc1c(C)nn(C)c1Cl)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1,C11951573_decoy,CP3A4,Decoy,0 +COCC[NH+](C/C=C/c1ccc(OC)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1,C12090184_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C/C[NH+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1,C12156010_decoy,CP3A4,Decoy,0 +Cc1oc(-c2cccs2)nc1C[NH+](CC1CC[NH+](C2CCCC2)CC1)C[C@H]1CCCO1,C12468583_decoy,CP3A4,Decoy,0 +c1ccc(-n2cccc2C[NH+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)nc1,C12305544_decoy,CP3A4,Decoy,0 +CCCn1cc(C[NH+](CC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]2CCCO2)c(C)n1,C12710491_decoy,CP3A4,Decoy,0 +O=C(CCC(F)(F)F)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[NH+](C2CCCC2)C1,C14951121_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)CC[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)o1,C14983114_decoy,CP3A4,Decoy,0 +CCC[C@]1(C2CC[NH+](C/C=C/c3ccco3)CC2)NC(=O)N(CC[C@@H]2CCC[NH+]2C)C1=O,C14988891_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@H]2C[C@]3(C)CCCC(C)=C3C[C@H]21,C15955528_decoy,CP3A4,Decoy,0 +COc1ccc2cc(CNCCC[NH+]3C[C@@H]4C=C[C@H]3C4)c(N3CCN(c4ccc(F)cc4)CC3)[nH+]c2c1,C14888883_decoy,CP3A4,Decoy,0 +CCOC(=O)c1[nH]ncc1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[NH+](C2CCCC2)C1,C20905898_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)cc1,C32750796_decoy,CP3A4,Decoy,0 +CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1C[NH+](Cc1ccco1)[C@H](C)CC,C34836335_decoy,CP3A4,Decoy,0 +CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](CCCc1ccccc1)C1CC1,C34836673_decoy,CP3A4,Decoy,0 +CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](CC)Cc1cccn1C,C34836728_decoy,CP3A4,Decoy,0 +CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](CC)Cc1cccc(C)n1,C34836737_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1ccsc1)Cc1c(CC)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1,C34836888_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCC[NH+](C)C)o3)n2)CC1,C35666331_decoy,CP3A4,Decoy,0 +CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](Cc1cccc(C)c1O)C(C)C,C35954654_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1C[NH+](CCC(C)C)Cc1cccc(O)c1,C35954712_decoy,CP3A4,Decoy,0 +O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1,C22785777_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1,C39030250_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1C=C(C2CC2)N=N1,C39359802_decoy,CP3A4,Decoy,0 +COc1cc(/C=C(\C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1OCC(=O)Nc1cccc(SC)c1,C39435931_decoy,CP3A4,Decoy,0 +CCCN(CCC)c1ccc(/C=N/NC2=[NH+][C@H]3[NH+]=c4ccc(CC)cc4=C3N=N2)cc1,C39444046_decoy1,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@@H]([C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+](Cc1ccccc1)Cc1ccco1)C(=O)[NH+]=2,C39710266_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)=C[C@@H]([C@H]([C@@H]1NN=NN1C(C)(C)C)[NH+](Cc1ccccc1)Cc1ccco1)C(=O)[NH+]=2,C39711055_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C(\C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1OCC(=O)Nc1ccc(C#N)cc1,C39934709_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)c1ccc(C[NH+]2CCn3cccc3[C@@H]2c2ccccc2F)o1,C40387892_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C/C[NH+](CC2CC[NH+](C3CCCC3)CC2)C[C@H]2CCCO2)cc1,C43053796_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]21,C43742715_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@@H]21,C43742722_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]21,C43742782_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)C[C@@H](C)[NH+]2CCCC[C@@H]2C)c(S(=O)(=O)C[C@H](C)[NH+]2CCCC[C@@H]2C)c1,C33775037_decoy,CP3A4,Decoy,0 +CCCN(CCC)c1ccc(/C=N/NC2=N[C@H]3[NH+]=c4ccc(CC)cc4=C3N=[NH+]2)cc1,C39444046_decoy2,CP3A4,Decoy,0 +COc1ccc(CCN2[C@H](C)[C@@H](C)[C@@H](C3[NH+]=c4ccccc4=[NH+]3)[C@H]2NC(=O)c2ccco2)cc1OC,C63279789_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+][C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C=2Sc1ccccc1,C63531023_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H](C)[NH+]2C[C@H](O)COc2ccccc2)cc1OC,C63540925_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1ccccc1CSC1[NH+]=c2ccccc2=[NH+]1)Nc1c(F)cccc1F,C63743004_decoy,CP3A4,Decoy,0 +CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](C2=c3ccccc3=[NH+]C2)c2ccc(N(C)C)cc2)CC1,C64697335_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2[nH+]cn(C3CCCCC3)c2-c2ccc(C(=O)NCC[C@H](C)[NH+]3CCCC3)o2)cc1,C65036861_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN(CC1=c2ccccc2=[NH+]C1)C(=S)Nc1cccc(SC)c1,C65315773_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN(CC1=c2ccccc2=[NH+]C1)C(=S)Nc1c(C)cc(C)cc1C,C65315775_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN(CC1=c2ccccc2=[NH+]C1)C(=S)Nc1cccc(C(F)(F)F)c1,C65315785_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(CC1=c2ccccc2=[NH+]C1)C(=S)Nc1cc(F)cc(F)c1,C65315794_decoy,CP3A4,Decoy,0 +C[C@H](C[NH+]1CCCCC1)SS[C@@H](C)C[NH+]1CCCCC1,C01666673_decoy,CP3A4,Decoy,0 +CC(C)(C#CCCCCC#CC(C)(C)[NH+]1CCCC1)[NH+]1CCCC1,C02268292_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCC[C@H](C)Nc1c(C)c[nH+]c2cc(C)c(C)cc12,C01729646_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCC(C[NH+](C)C[C@H]3CC=CCC3)CC2)o1,C12431465_decoy,CP3A4,Decoy,0 +C[NH+](C)C1(C[NH2+]Cc2ccc(Br)cc2)CCCCC1,C20094498_decoy,CP3A4,Decoy,0 +CCN(CC[NH+]1CCCCC1)C[C@@H]1CCC[NH+](C2CCCC2)C1,C22919130_decoy,CP3A4,Decoy,0 +C[C@H]([NH2+]C[C@@H]1CC[NH+](C2CC2)C1)c1c(Cl)ccc(F)c1Cl,C37649309_decoy,CP3A4,Decoy,0 +C=CCc1cc(/C=C(/C#N)[C@@H]2[NH+]=c3ccc(C)cc3=[NH+]2)cc(OCC)c1O,C39353256_decoy,CP3A4,Decoy,0 +C/C=C(\C)C[NH+](CC1CC[NH+](C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1,C39363043_decoy,CP3A4,Decoy,0 +CCOc1ccc(/C=C(\C#N)C2[NH+]=c3ccccc3=[NH+]2)c(OCC)c1,C39715374_decoy,CP3A4,Decoy,0 +CCOc1cc(Br)c(/C=C(\C#N)[C@H]2[NH+]=c3ccc(C)cc3=[NH+]2)cc1OC,C39934837_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc(I)o2)([NH+](C)C)C1,C40668841_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Br)cc2Br)CC1,C44517761_decoy,CP3A4,Decoy,0 +CC[C@@H]([NH2+]CCCC[NH+](C)C(C)C)c1cccc(Br)c1,C45684477_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2Br)C1,C49197826_decoy,CP3A4,Decoy,0 +CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(Br)c1,C49198903_decoy,CP3A4,Decoy,0 +Clc1ccc([C@H]([NH2+]CC[NH+]2CCCCC2)c2ccco2)s1,C49574963_decoy,CP3A4,Decoy,0 +C[NH+](Cc1[nH+]cc(-c2ccccc2)o1)C(c1ccccc1)c1ccccc1,C36834425_decoy,CP3A4,Decoy,0 +CC(C)CC[C@@]1(CC[NH2+]C2CC[NH+](C)CC2)CCO[C@H](C(C)C)C1,C08992493_decoy,CP3A4,Decoy,0 +C[NH+](CC[NH2+]Cc1cc(Br)cs1)C1CCCCC1,C49918459_decoy,CP3A4,Decoy,0 +C[C@H]([NH2+]CC[C@@H]1CCCC[NH+]1C)c1cccc(Br)c1,C52205687_decoy,CP3A4,Decoy,0 +CCC[NH2+]C[C@H](C(C)C)[NH+](C)Cc1ccc(Br)cc1,C52371701_decoy,CP3A4,Decoy,0 +CC(C)[NH2+]CCC[C@H](C)[NH+](C)Cc1ccc(Br)cc1,C52371809_decoy,CP3A4,Decoy,0 +CCC[NH2+]Cc1oc(C[NH+](C)Cc2ccc(Cl)s2)cc1C,C52509286_decoy,CP3A4,Decoy,0 +Cc1cc(C[NH+](C)Cc2ccc(Cl)s2)oc1C[NH2+]C(C)C,C52509288_decoy,CP3A4,Decoy,0 +CC(C)[NH2+]CCC[C@@H](C)[NH+](C)Cc1cccc(Br)c1,C52545184_decoy,CP3A4,Decoy,0 +CC(C)[NH2+]C[C@@H]1CCCC[NH+]1Cc1ccc(Br)cc1,C53651642_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)[NH+]1CCCC1,C20200678_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(Br)c1)[NH+]1CCCC1,C20200682_decoy,CP3A4,Decoy,0 +C[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc21)C[NH+]1CCCC1,C62079116_decoy,CP3A4,Decoy,0 +C=CC[NH+](CC=C)[C@H](CN1CC[NH2+]CC1)c1ccc(C(C)C)cc1,C62269096_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(/C=N/NC(=O)CSC2[NH+]=c3ccccc3=[NH+]2)cc1,C63151153_decoy,CP3A4,Decoy,0 +O=C(CSC1[NH+]=c2ccccc2=[NH+]1)N/N=C/c1cccc(Cl)c1Cl,C63151166_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+][C@@H](SCC(=O)c1ccc(Br)cc1)[NH+]=2,C63229185_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)=[NH+][C@@H](SCc1ccccc1Cl)[NH+]=2,C63354437_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1ccc(SCc2ccc(Cl)cc2)o1)C1[NH+]=c2ccccc2=[NH+]1,C63490360_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1ccc(C)cc1)[NH+]=2,C63546712_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+][C@H](SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[NH+]=2,C63558052_decoy,CP3A4,Decoy,0 +CC[C@H](S[C@@H]1[NH+]=c2cccnc2=[NH+]1)C(=O)Nc1ccc(C(C)C)cc1,C63558075_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)[C@@H](CC)S[C@H]1[NH+]=c2cccnc2=[NH+]1,C63558119_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(OCC(=O)Nc2ccccc2C2[NH+]=c3ccccc3=[NH+]2)c1,C63749881_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(NC(=O)CCc2ccc3c(c2)=[NH+][C@H](C)[NH+]=3)cc1,C63753221_decoy,CP3A4,Decoy,0 +CC(/C=N/NC(=O)CSC1[NH+]=c2ccccc2=[NH+]1)=C\c1ccccc1,C63867182_decoy,CP3A4,Decoy,0 +C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc2c(c1)=C1CCCC[C@H]1[NH+]=2,C64103063_decoy,CP3A4,Decoy,0 +O=C(CCSc1ccccc1)Nc1ccccc1C1[NH+]=c2ccccc2=[NH+]1,C64370316_decoy,CP3A4,Decoy,0 +CCC[C@H]1[NH+]=c2ccc(CCC(=O)Nc3ccc(C)cc3C)cc2=[NH+]1,C65112929_decoy,CP3A4,Decoy,0 +CCC[C@H]1[NH+]=c2ccc(CCC(=O)Nc3ccc(C)cc3)cc2=[NH+]1,C65112989_decoy,CP3A4,Decoy,0 +CC1=C(CN(C[C@@H]2[NH+]=c3ccc(C)c(C)c3=[NH+]2)C(C)C)[C@@H](C)N(C)N1,C65455973_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(CCNC(=O)C[NH+]2CCC[C@H]2C[NH+]2CCCC2)c(C)c1,C66537145_decoy,CP3A4,Decoy,0 +CCCC[NH+](C)CC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1,C66960604_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)C2=C(CCCC2)[C@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C,C09762093_decoy,CP3A4,Decoy,0 +CCc1ccc2c(C[NH2+][C@H]3CCC[C@H](C)[C@@H]3C)cc(=O)oc2c1,C18938252_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1,C19557587_decoy,CP3A4,Decoy,0 +N#C[C@H](c1ccc(SC(F)(F)F)cc1)N1CC[NH2+]CC1,C21519078_decoy,CP3A4,Decoy,0 +COc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3cccs3)oc12,C21803234_decoy,CP3A4,Decoy,0 +Cc1n[nH+]c(N[C@H](C)c2ccc(Cl)s2)c2ccccc12,C25572197_decoy,CP3A4,Decoy,0 +C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1cc2ccccc2o1,C28309510_decoy,CP3A4,Decoy,0 +Cc1ccc(Oc2ccc([C@H]3C[NH2+]C(C)(C)CO3)cc2)c(C)c1,C32225984_decoy,CP3A4,Decoy,0 +CC[C@H]1CSC(Nc2ccc(Oc3ccccc3)cc2)=[NH+]1,C35082632_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H](c1cc2c(cc1Cl)OCCCO2)[C@H]1C[C@@H]1C,C35584677_decoy,CP3A4,Decoy,0 +CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)N1CCOCC1,C36664767_decoy,CP3A4,Decoy,0 +COc1cc(Cl)c(C)cc1N[C@H]1C[C@@H](C)[NH+](C)C[C@@H]1C,C36907582_decoy,CP3A4,Decoy,0 +CSc1nc2ccc(N[C@H]3C[C@H](C)[NH+](C)C[C@H]3C)cc2s1,C36956386_decoy,CP3A4,Decoy,0 +C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(Cl)s1,C36988611_decoy,CP3A4,Decoy,0 +C[C@H](Nc1ccc(Cl)c2ncccc12)C1CC[NH+](C)CC1,C37101479_decoy,CP3A4,Decoy,0 +C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1cccc(Cl)c1N(C)C,C37127316_decoy,CP3A4,Decoy,0 +C[C@@H](Nc1ccc[nH+]c1N(C)C)c1cc(F)c(Cl)cc1Cl,C37294373_decoy,CP3A4,Decoy,0 +CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCCC1,C38712527_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC[C@H]1C=c2c(C)ccc(C)c2=[NH+]C1=O,C38788313_decoy,CP3A4,Decoy,0 +Cc1ccc(NC[C@H]2C=c3cc(C)c(Cl)cc3=[NH+]C2=O)cc1C,C38788418_decoy,CP3A4,Decoy,0 +C[NH2+][C@H]1CC(C)(C)Cc2nc(-c3ccc(OC)cc3)sc21,C50331264_decoy,CP3A4,Decoy,0 +CC[NH2+]Cc1nc(N(C)[C@@H]2CCCC[C@@H]2C)ccc1Cl,C51493711_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1C[C@H](C)OC[C@@H]1C,C54555012_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@H]1N1C[C@@H](C)OC[C@@H]1CC,C54555337_decoy,CP3A4,Decoy,0 +C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1N1CCO[C@H]2CCCC[C@@H]21,C54555695_decoy,CP3A4,Decoy,0 +CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1,C54559547_decoy,CP3A4,Decoy,0 +CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCOCC1(C)C,C54560355_decoy,CP3A4,Decoy,0 +Cc1cc(C[NH2+]C(C)C)nc(Cc2ccc(Cl)c(Cl)c2)n1,C54831642_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H]1CCCc2nc(N(C)C3CCCCC3)sc21,C54899440_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H]1CCCc2nc(N3CCCCCCC3)sc21,C54901960_decoy,CP3A4,Decoy,0 +CCCN(c1nc2c(s1)[C@@H]([NH2+]C)CC(C)(C)C2)C(C)C,C54902762_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@H]1CCCc2nc(N3CC[C@H](C)C[C@@H]3C)sc21,C54905349_decoy,CP3A4,Decoy,0 +C[NH2+][C@@H]1CC(C)(C)Cc2nc(N(C)CC(C)(C)C)sc21,C54908650_decoy,CP3A4,Decoy,0 +CC[NH2+]Cc1sc(N2CCC(C)CC2)nc1C(C)(C)C,C54995112_decoy,CP3A4,Decoy,0 +CC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1C(C)(C)C,C54995303_decoy,CP3A4,Decoy,0 +CC[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1C(C)(C)C,C54995582_decoy,CP3A4,Decoy,0 +CC(C)[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)(C)C,C54995647_decoy,CP3A4,Decoy,0 +CC[C@H]1CCCN(c2nc(C(C)(C)C)c(C[NH2+]C)s2)C1,C54997587_decoy,CP3A4,Decoy,0 +Cc1nc(N(C)C2CCCCCC2)sc1C[NH2+]C(C)(C)C,C54997953_decoy,CP3A4,Decoy,0 +CC[NH2+]Cc1sc(N2CC[C@@H](C)C[C@@H]2C)nc1C(C)(C)C,C54998198_decoy,CP3A4,Decoy,0 +CC(C)[NH2+]Cc1sc(N2CC[C@@H](C)C2)nc1C(C)(C)C,C54998439_decoy,CP3A4,Decoy,0 +Cc1cc2nc(C(C)(C)C)n(CC3CC[NH2+]CC3)c2cc1C,C57865540_decoy,CP3A4,Decoy,0 +Cc1cc2nc(CC(C)C)n(CC[C@H]3CCCC[NH2+]3)c2cc1C,C57866637_decoy,CP3A4,Decoy,0 +CC(C)(C)c1nc2cc(F)c(F)cc2n1CC[C@@H]1CCCC[NH2+]1,C57866750_decoy,CP3A4,Decoy,0 +C[NH2+][C@H](C)c1ccc(N(C)c2cccc(OC)c2)c(Cl)c1,C61698082_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CCCO[C@H](C)C1,C61916969_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCCO[C@H](C)C1,C61934344_decoy,CP3A4,Decoy,0 +Cc1ccccc1-c1nc2ccc(O[C@@H]3CC[NH2+]C3)cc2s1,C62200066_decoy,CP3A4,Decoy,0 +CCCn1c([C@@]2(CCC)CC[NH2+]C2)nc2cccc(Cl)c21,C62915138_decoy,CP3A4,Decoy,0 +O=C(NCCC1=CCCCC1)[C@H]1CCCC2=c3ccccc3=[NH+][C@H]21,C63745877_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1C,C04138185_decoy,CP3A4,Decoy,0 +S=C(Nc1ccccc1)NC1c2ccccc2Oc2ccccc21,C00307307_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2ccc(O)cc2)CC[C@@H]1CNc1ccc(Cl)cc1,C00018157_decoy,CP3A4,Decoy,0 +Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1,C07223303_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1O,C14459532_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc([C@H]2Nc3c(O)cccc3[C@H]3C=CC[C@@H]32)cc1,C14461528_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2Nc3c(O)cccc3[C@H]3C=CC[C@H]32)cc1,C14480584_decoy,CP3A4,Decoy,0 +O=C(CNc1cccc2c1CCCC2)Nc1cccc(F)c1,C15123190_decoy,CP3A4,Decoy,0 +O=C1/C(=C\c2ccc(O)cc2)CC[C@@H]1CNc1ccc(Cl)cc1,C16957535_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c(C#N)c2N)cc1,C01642513_decoy,CP3A4,Decoy,0 +Cc1ccc(O)c(C(=O)Nc2ccc(Br)cc2F)c1,C19806547_decoy,CP3A4,Decoy,0 +COc1ccc(O)c([C@H](C)Nc2ccccc2Br)c1,C19922760_decoy,CP3A4,Decoy,0 +Cc1ccc(C(C)(C)C)c(Oc2cc(C(N)=S)ccn2)c1,C20523701_decoy,CP3A4,Decoy,0 +CCOc1ccccc1N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21,C20543086_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2Nc3c(O)ccc(C)c3[C@H]3C=CC[C@H]32)cc1,C20678394_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc([C@@H]2Nc3c(O)cccc3[C@@H]3C=CC[C@H]32)cc1,C20696887_decoy,CP3A4,Decoy,0 +CCOc1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21,C20707086_decoy,CP3A4,Decoy,0 +COC(=O)c1c(N)sc(C)c1-c1ccc2c(c1)CCCC2,C31861838_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)s1,C33192537_decoy,CP3A4,Decoy,0 +CCC[C@@H](C)c1noc(N)c1-c1ccc(Br)cc1,C36936672_decoy,CP3A4,Decoy,0 +COC(=O)c1sc(-c2cc3c(s2)CCCCC3)cc1N,C37337673_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc2ccccc12)NC1Cc2ccccc2C1,C00171417_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C(C)C)cc1O,C00092366_decoy,CP3A4,Decoy,0 +Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c2c1CCCC2,C00521114_decoy,CP3A4,Decoy,0 +CSc1ccccc1NC(=O)Nc1cccc2ccccc12,C15933785_decoy,CP3A4,Decoy,0 +C[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1cc[nH]n1,C37907039_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl,C20420191_decoy,CP3A4,Decoy,0 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+CCC1(CC)CN(Cc2ccc(C)cc2)c2ccc(N)cc2O1,C58004783_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2F)c(C)c1,C43143388_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2c(c1)NC(=O)[C@@H]2Nc1ccc(Cl)cc1C,C42100813_decoy,CP3A4,Decoy,0 +CCc1ccc2c(c1)[C@H](Nc1ccc(C)c(Cl)c1)C(=O)N2,C42103446_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(F)c(F)cc1F)c1cc(Cl)ccc1O,C61094620_decoy,CP3A4,Decoy,0 +COc1ccc(N(C)c2cc(Cl)ccc2C(N)=S)cc1,C62788486_decoy,CP3A4,Decoy,0 +Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)c(C)cc1N,C62997985_decoy,CP3A4,Decoy,0 +O=C(NCc1cc2ccccc2[nH]1)c1sccc1-c1ccccc1,C58901272_decoy,CP3A4,Decoy,0 +CC(C)(C)c1cc(N)c(OC[C@@H]2CCCO2)c(Br)c1,C66141145_decoy,CP3A4,Decoy,0 +CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,C03978066_decoy,CP3A4,Decoy,0 +CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH+](C)C)[C@H](O)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,C03978068_decoy,CP3A4,Decoy,0 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+CCOc1cc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2[nH]cnc23)cc(OCC)c1OCC,C09410247_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2[NH+]=C(N)Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OCc1c(C)noc1C,C19354145_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2[NH+]=C(N)Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OCc1cccs1,C19354148_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(N/N=C/c4ccco4)n3)cc2)CC1,C20832927_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(N/N=C/c4cccs4)n3)cc2)CC1,C20834239_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)n2N)CC1,C25510896_decoy,CP3A4,Decoy,0 +C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1C[NH+]1CCCC[C@H]1C)c1ccc(-c2ccccc2)cc1,C25783619_decoy,CP3A4,Decoy,0 +C[C@H](c1nnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)n1-c1ccc(F)cc1)[NH+](C)C,C32391454_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(sc3nc(SCC(N)=O)nc(N4CC[NH+](CC(=O)NC5CCCCC5)CC4)c23)CO1,C34750169_decoy,CP3A4,Decoy,0 +CC1(C)Cc2c(sc3nc(SCC(=O)NC4CCCCC4)nc(N4CC[NH+](CC(N)=O)CC4)c23)CO1,C34750226_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(N2CC[NH+](Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)CC2)c([N+](=O)[O-])c1,C12547106_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc(OC)c1OC,C13570713_decoy,CP3A4,Decoy,0 +Cc1ccc(SC[C@@H]2[C@@H](C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N=NN2c2nonc2N)cc1,C38688824_decoy,CP3A4,Decoy,0 +Cc1cc(=O)oc2c(OCC(=O)N3C[C@@H](C(=O)N[C@H](C)CCCC(C)(C)O)C4(CC[NH2+]CC4)C3)cccc12,C39631968_decoy,CP3A4,Decoy,0 +Cc1nn(C)c2ncc(C(=O)N3C[C@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C4(CC[NH2+]CC4)C3)c(Cl)c12,C39632076_decoy,CP3A4,Decoy,0 +Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C(=O)NCCNc4ccccc4)C4(CC[NH2+]CC4)C3)c(Cl)c12,C39655691_decoy,CP3A4,Decoy,0 +O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CN(C(=O)c2ccc3ccccc3n2)CC12CC[NH2+]CC2,C39676343_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NC(=O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,C39685851_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2NN[C@H](SCC(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N2c2ccccc2)cc1OC,C39923395_decoy,CP3A4,Decoy,0 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+CN(C)c1ccc(C[NH2+]CC[C@@H](Cc2ccccc2Cl)c2ccc(Cl)cc2)cc1,C06672321_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1,C02447174_decoy,CP3A4,Decoy,0 +COc1cc(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1OCc1ccccc1,C10436607_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]CCc2ccccc2OC)ccc1OCc1ccccc1Cl,C13718740_decoy,CP3A4,Decoy,0 +CCOc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl,C13729762_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccccc2)cc1,C14991020_decoy,CP3A4,Decoy,0 +CC[C@@H]1CCCC[NH+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12,C15678366_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl,C16196274_decoy,CP3A4,Decoy,0 +CCCCCC[NH2+][C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1,C16423899_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCC[C@H](C)N(CC1=CC[C@H]2C[C@@H]1C2(C)C)C(=O)Nc1ccccc1Br,C16424390_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCCC[NH+]3CCCC[C@@H]3C)c2C)c1,C16532295_decoy,CP3A4,Decoy,0 +O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,C19313137_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1C,C20733431_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1F,C22073846_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H](OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1,C26781440_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)C1,C35031517_decoy,CP3A4,Decoy,0 +CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C[C@@H](O)C[NH+]2CCCC[C@H]2C)cc1,C35099143_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)o2)C(C)C)cc1,C35226370_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cccc(C)c1)c1cn(C)c2ccccc12,C35393006_decoy,CP3A4,Decoy,0 +O[C@H](COCc1ccccc1)C[NH+](Cc1cccn1Cc1ccccc1)C1CCCCC1,C35840434_decoy,CP3A4,Decoy,0 +C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(/C(C)=N\Nc2ccccc2)cc1,C36629953_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@@H](CNC(=O)CC(c2ccccc2)c2ccccc2)[NH+]2CCCC2)cc1,C38635899_decoy,CP3A4,Decoy,0 +O[C@H](COc1ccccc1Cl)C[NH+](Cc1ccco1)Cc1cccc2ccccc12,C40314252_decoy,CP3A4,Decoy,0 +Cc1ccccc1C[NH+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)C1CC1,C40404544_decoy,CP3A4,Decoy,0 +COc1cccc(C[NH2+]Cc2ccccc2Cl)c1OCc1c(Cl)cccc1Cl,C40722364_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OC(C)C,C40728998_decoy,CP3A4,Decoy,0 +CC(C)Oc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br,C40730566_decoy,CP3A4,Decoy,0 +CC(C)Oc1c(Br)cc(C[NH2+]CCC2=CCCCC2)cc1Br,C40730610_decoy,CP3A4,Decoy,0 +Fc1ccc(C[NH2+]Cc2c(OCc3ccc(F)cc3Cl)ccc3ccccc23)cc1,C40735506_decoy,CP3A4,Decoy,0 +COc1ccccc1CC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12,C40736181_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1c(Cl)cccc1Cl,C40736858_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(F)cc1Cl,C40737279_decoy,CP3A4,Decoy,0 +COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1,C40739824_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccccc1C,C40740230_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1c(Cl)cccc1Cl,C40740359_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccc(F)cc1Cl,C40740420_decoy,CP3A4,Decoy,0 +C=CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1,C40741675_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCc1c(F)cccc1Cl,C40742086_decoy,CP3A4,Decoy,0 +C=CC[NH+](Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)Cc1ccc(Cl)s1,C19529875_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccccc1,C16605766_decoy,CP3A4,Decoy,0 +CCC[NH+](CCC)Cc1c(O)cc(C)c2c1O/C(=C/c1c(Cl)cccc1Cl)C2=O,C41584433_decoy,CP3A4,Decoy,0 +CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC3=c4ccccc4=[NH+]C3)cc2)cc1,C63256847_decoy,CP3A4,Decoy,0 +Cc1ccc(SC2=c3ccccc3=[NH+][C@H]2C(=O)NCc2ccc(OC(C)C)cc2)cc1,C63530256_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[NH+]=c3ccccc3=C2SCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1,C63654897_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2NC[C@@H](c3ccccc3)C3=c4ccccc4=[NH+][C@@H]32)ccc1OCC(C)C,C63879057_decoy,CP3A4,Decoy,0 +Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1C,C20553011_decoy,CP3A4,Decoy,0 +c1coc(CC[NH2+][C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)c1,C35121664_decoy,CP3A4,Decoy,0 +Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccco2)c(C)c1,C35738877_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)c(C)c1,C35738881_decoy,CP3A4,Decoy,0 +CCC(C)(C)C1CCC([NH2+]C2CCOCC2)CC1,C36319175_decoy,CP3A4,Decoy,0 +CSc1ccccc1N[C@@H](C)C1CC[NH+](C)CC1,C36957173_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@H]1Nc1ccc(C[NH+](C)C)cc1,C37141189_decoy,CP3A4,Decoy,0 +Cc1c([C@@H](C)[NH2+]Cc2ccco2)sc2ccccc12,C37184264_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)nc2C)cc1,C37214590_decoy,CP3A4,Decoy,0 +CCCN[C@@H]1CC[NH+](C23CC4CC(CC(C4)C2)C3)C1,C37240284_decoy,CP3A4,Decoy,0 +C#CCN1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1,C37294933_decoy,CP3A4,Decoy,0 +Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc1C,C37738310_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)c(C)c1,C37772239_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)oc2C)c(C)c1,C37772241_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1,C38009364_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC[C@H](C)C1[NH2+]C[C@@H](C)N1CCCCC1,C38028319_decoy,CP3A4,Decoy,0 +Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1,C38090782_decoy,CP3A4,Decoy,0 +Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C2CCCCC2)s1,C40518251_decoy,CP3A4,Decoy,0 +CC(C)C[C@@H]1CSC(N[C@H]2CCC[C@H](C)C2)=[NH+]1,C40796287_decoy,CP3A4,Decoy,0 +CC[NH2+][C@@H](c1cccc(C)c1)c1nc2c(s1)CCC2,C41191755_decoy,CP3A4,Decoy,0 +Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCCO2)c(C)c1,C42812602_decoy,CP3A4,Decoy,0 +C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)o1,C42858088_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H]1CCC[C@H]1O[C@@H]1C[C@H](C)CC(C)(C)C1,C44071627_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H]1c2ccccc2C[C@@H]1O[C@@H]1CCC[C@H](C)C1,C44099789_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C)[NH+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O,C44159691_decoy,CP3A4,Decoy,0 +CC[C@@H]1CC[C@H](O)[C@H]([NH+](C)CC2CCCCC2)C1,C44178936_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](c1ccc(C)cc1C)c1cc(C)oc1C,C35542567_decoy,CP3A4,Decoy,0 +C[NH2+][C@H](c1ccc(C(C)C)cc1)c1ccc(C)o1,C36819957_decoy,CP3A4,Decoy,0 +C[NH2+][C@H](C)c1ccccc1N(C)[C@H]1CCC[C@@H](C)C1,C49012311_decoy,CP3A4,Decoy,0 +CCCc1ccccc1NC1=[NH+]C(C)(C)CS1,C49559207_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H]1CCN(c2cc(C)cc(C)c2)[C@H](C)C1,C49709619_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@H]1CC(C)(C)Cc2nc(C(C)C)sc21,C50331436_decoy,CP3A4,Decoy,0 +C[NH2+]C[C@]1(OC2CCCCCC2)CCC[C@H](C)C1,C50504796_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CCCCO1,C50961991_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)[C@H]1CCCCO1,C50962079_decoy,CP3A4,Decoy,0 +CC[NH2+][C@@H]1c2ccccc2CC[C@H]1CC1CCOCC1,C52174003_decoy,CP3A4,Decoy,0 +CCC1(CC)CSC(N[C@@H]2CCCC[C@H]2C)=[NH+]1,C53045991_decoy,CP3A4,Decoy,0 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+CC[C@@H](C(=O)N(c1ccccc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1C)c1ccccc1,C36607161_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1cccc(Cl)c1,C06193390_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C09914361_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1Br,C14554877_decoy,CP3A4,Decoy,0 +O=C(Cc1ccc(N2CCC([NH2+]Cc3scnc3-c3ccccc3)CC2)cc1)NCc1ccccn1,C14988227_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N1CCN(C)CC1)[C@H]1CC[C@@]2(C)Cc3sc(NCCc4ccccn4)[nH+]c3[C@@H](C)[C@@H]2[C@H]1O,C20504504_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1OC,C20736452_decoy,CP3A4,Decoy,0 +CC[C@H](C)CNC(=O)[C@@H]1CSC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)[NH2+]1,C35374758_decoy,CP3A4,Decoy,0 +CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1,C12872658_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H](CNC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)[NH+]2CCCC2)c1,C27340551_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](CNI)N2CC[NH2+][C@H](S(=O)(=O)Oc3ccccc3)C2)cc1,C39531986_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1CC2=C3CC=CC=C3N=C2[C@H]2C[C@H]([NH2+]CCO)C[C@@H](c3ccc(OC(F)(F)F)cc3)N21,C39560782_decoy,CP3A4,Decoy,0 +O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39602466_decoy,CP3A4,Decoy,0 +O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39602469_decoy,CP3A4,Decoy,0 +COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CC23CC[NH2+]CC3)cc1OC,C39634466_decoy,CP3A4,Decoy,0 +COc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3ccc(Br)cc3)CC23CC[NH2+]CC3)cc1OC,C39634531_decoy,CP3A4,Decoy,0 +Cc1ccc(Oc2ncccc2C(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(C)cc3)C3(CC[NH2+]CC3)C2)cc1,C39639371_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3ccc(Oc4ccccc4)nc3)CC23CC[NH2+]CC3)cc1,C39639393_decoy,CP3A4,Decoy,0 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+Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CN(C(=O)c3ccc(Br)cc3)CC23CC[NH2+]CC3)cc1,C39666047_decoy,CP3A4,Decoy,0 +Cc1ccc(O[C@@H](C)CNC(=O)[C@@H]2CN(C(=O)c3c(Cl)ccc(C)c3F)CC23CC[NH2+]CC3)cc1,C39666104_decoy,CP3A4,Decoy,0 +Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CN(C(=O)c3c(Cl)ccc(C)c3F)CC23CC[NH2+]CC3)cc1,C39666106_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H]1OCCc2ccccc21)[C@H]1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,C39669071_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC12CC[NH2+]CC2,C39673237_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](Oc1ccccc1)C(=O)N1C[C@H](C(=O)NCc2ccc(OC(F)F)cc2)C2(CC[NH2+]CC2)C1,C39673409_decoy,CP3A4,Decoy,0 +COc1ccc(CC[C@H](C)NC(=O)[C@H]2CN(C(=O)c3ccc(Br)cc3)CC23CC[NH2+]CC3)cc1,C39675276_decoy,CP3A4,Decoy,0 +COc1ccc(CC[C@H](C)NC(=O)[C@H]2CN(C(=O)c3ccc(C)c(F)c3F)CC23CC[NH2+]CC3)cc1,C39675342_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CCNC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3F)CC23CC[NH2+]CC3)c1,C39676927_decoy,CP3A4,Decoy,0 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+C=CCC[C@H](O)C[NH+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1,C36303604_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[NH+](CC1CC1)C[C@H](O)COC(C)(C)C,C36303606_decoy,CP3A4,Decoy,0 +COc1ccc(Oc2c(C[NH+](CC3CC3)C[C@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)cc1,C36304641_decoy,CP3A4,Decoy,0 +CC[C@H](C)[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)C,C36305780_decoy,CP3A4,Decoy,0 +Cc1cccc(Oc2c(C[NH+](CC3CC3)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1,C36306566_decoy,CP3A4,Decoy,0 +CC(C)OC[C@H](O)C[NH+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1,C36307884_decoy,CP3A4,Decoy,0 +C=CCOC[C@@H](O)C[NH+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1,C36307905_decoy,CP3A4,Decoy,0 +CC(C)OC[C@@H](O)C[NH+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1,C36307983_decoy,CP3A4,Decoy,0 +C=CCC[C@@H](O)C[NH+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C,C36309407_decoy,CP3A4,Decoy,0 +O[C@@H](COCc1ccccc1)C[NH+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1,C36313038_decoy,CP3A4,Decoy,0 +Cc1ccc(Oc2c(C[NH+](C[C@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1,C36316071_decoy,CP3A4,Decoy,0 +C=CCOC[C@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C,C36316115_decoy,CP3A4,Decoy,0 +CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[NH+](C[C@H](O)COC(C)(C)C)C(C)C,C36316268_decoy,CP3A4,Decoy,0 +C=CCOC[C@@H](O)C[NH+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C,C36316386_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C,C36316425_decoy,CP3A4,Decoy,0 +C=CCOC[C@H](O)C[NH+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C,C36316465_decoy,CP3A4,Decoy,0 +CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[NH+](CC1CC1)C[C@H](O)COC(C)C,C36316482_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C,C36316507_decoy,CP3A4,Decoy,0 +CC[C@@H](C)[NH+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C,C36342010_decoy,CP3A4,Decoy,0 +CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH+](C[C@H](O)COCC(C)C)C(C)C,C36345805_decoy,CP3A4,Decoy,0 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+C[C@@H](c1ccc(N)cc1)[NH+]1CCC2(CCCC2)CC1,C62951926_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H](C)CCC[C@@H]1NC(=[NH2+])C1CCCCC1,C62989066_decoy,CP3A4,Decoy,0 +CC(C)C(=[NH2+])Nc1ccccc1Br,C62989101_decoy,CP3A4,Decoy,0 +[NH2+]=C(Nc1ccc(F)cc1Br)C1CC1,C62989447_decoy,CP3A4,Decoy,0 +Cc1ccc(Br)cc1NC(=[NH2+])C(C)C,C62990936_decoy,CP3A4,Decoy,0 +[NH2+]=C(NC1CC1)C12CC3CC(CC(C3)C1)C2,C62994783_decoy,CP3A4,Decoy,0 +COC(=O)CC[NH2+]C1CCCCCCC1,C06051598_decoy,CP3A4,Decoy,0 +CC[C@H](C)[C@H]1COC(=O)C(CC)(CC)[NH2+]1,C11949861_decoy,CP3A4,Decoy,0 +CC[C@H](C)[NH2+]Cc1ncc(C)c(OC)c1C,C20036764_decoy,CP3A4,Decoy,0 +CCCCN(C)C(=O)C[C@H]1CCCC[NH2+]1,C20597210_decoy,CP3A4,Decoy,0 +Cc1cc(N[C@@H](C)C2CC2)nc(C(C)C)[nH+]1,C35135079_decoy,CP3A4,Decoy,0 +CC[C@@H](C)CNc1ccc(N(C)C)[nH+]c1,C36988753_decoy,CP3A4,Decoy,0 +CN(C)c1[nH+]cccc1NC[C@@H]1CC=CCC1,C37028487_decoy,CP3A4,Decoy,0 +COC(=O)C(C)(C)[NH2+]C1[C@@H](C)CCC[C@@H]1C,C37085293_decoy,CP3A4,Decoy,0 +CCCN(C)C(=O)C[C@@H]1CCCC[NH2+]1,C37098708_decoy,CP3A4,Decoy,0 +CC[C@H](C)[C@H]([NH2+]C1CCCC1)C(=O)OC,C37102641_decoy,CP3A4,Decoy,0 +CC(C)CN(C)C(=O)C[C@@H]1CCCC[NH2+]1,C37108903_decoy,CP3A4,Decoy,0 +CCC(C)(C)[NH2+]Cc1cn(C)nc1C(C)C,C37186220_decoy,CP3A4,Decoy,0 +Cc1nc2ccccn2c1C[NH2+][C@@H](C)C(C)C,C37249583_decoy,CP3A4,Decoy,0 +COC(=O)CCC[NH2+]C1CCCCCCC1,C37286498_decoy,CP3A4,Decoy,0 +COC(=O)C1([NH2+]CC(C)C)CCC(C)CC1,C37965746_decoy,CP3A4,Decoy,0 +CC(C)C[C@H](C)Nc1c[nH+]ccc1N(C)C,C36940794_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](C)Nc1ccc[nH+]c1N(C)C,C37028872_decoy,CP3A4,Decoy,0 +CC(C)c1nn(C)cc1C[NH2+]CC(C)(C)C,C40493056_decoy,CP3A4,Decoy,0 +CCC[NH2+]Cc1cnn(C2CCCCCC2)c1,C40932645_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H](C)c1cnn([C@@H](C)C2CC2)c1C,C40933024_decoy,CP3A4,Decoy,0 +CCCCCOC(=O)[C@H]1CCCC[NH2+]1,C40954262_decoy,CP3A4,Decoy,0 +CC[C@@H](C)[NH2+][C@@H](C(=O)OC)C(C)(C)C,C41051900_decoy,CP3A4,Decoy,0 +CC(C)CN(C(=O)C[C@H]1CCC[NH2+]1)C1CC1,C42295164_decoy,CP3A4,Decoy,0 +CCC1CCC([NH2+]C[C@@H](C)C(=O)OC)CC1,C42580298_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](C)c1cccc(O[C@@H](C#N)CC)c1,C43538859_decoy,CP3A4,Decoy,0 +CCOC(=O)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C,C43617532_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@@H]1CCCCC[C@@H]1n1cccn1,C43988636_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@H]1CCCCC[C@H]1n1cccn1,C43988647_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1n1cccn1,C43988699_decoy,CP3A4,Decoy,0 +CCC[C@@H]([NH2+]C)[C@H](CC)n1cc(C)cn1,C44000231_decoy,CP3A4,Decoy,0 +CCC[C@@H](Cn1nc(C)c(C)c1C)[NH2+]CC,C50186207_decoy,CP3A4,Decoy,0 +CCc1c(NC)nc(C(CC)CC)[nH+]c1C,C51690723_decoy,CP3A4,Decoy,0 +CCCc1cc(NCC)nc([C@@H](C)CC)[nH+]1,C51690732_decoy,CP3A4,Decoy,0 +CCCNc1cc(CC)[nH+]c([C@@H](C)CC)n1,C51690745_decoy,CP3A4,Decoy,0 +CCNc1nc([C@@H](C)CC)[nH+]c2c1CCC2,C51690815_decoy,CP3A4,Decoy,0 +CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)o1,C51722830_decoy,CP3A4,Decoy,0 +C[NH2+]Cc1oc(COC2CCCC2)cc1C,C52600950_decoy,CP3A4,Decoy,0 +CCC[NH2+]Cc1oc2ccccc2c1COC,C52602289_decoy,CP3A4,Decoy,0 +CCC[NH2+][C@H](CC1CCCC1)c1cnccn1,C53828895_decoy,CP3A4,Decoy,0 +CC(C)[NH+](C)CC(=O)N[C@H]1CCCC[C@H]1C,C58337993_decoy,CP3A4,Decoy,0 +C[NH2+]C(C)(C)C(=O)OC1CCCCCC1,C61172157_decoy,CP3A4,Decoy,0 +CNc1nc(CCC(C)C)[nH+]c(C)c1C(C)C,C61687370_decoy,CP3A4,Decoy,0 +CCC[C@]1(C(=O)O[C@H](C)CC)CC[NH2+]C1,C62919974_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](Cc1cc(C)ncn1)C(C)(C)C,C63030087_decoy,CP3A4,Decoy,0 +C[NH2+][C@@H](Cc1cc(C)nc(C(C)C)n1)C(C)C,C63031216_decoy,CP3A4,Decoy,0 +CCCc1cc(C[C@H]([NH2+]C)C(C)C)ncn1,C63031268_decoy,CP3A4,Decoy,0 +CC[NH2+][C@H](C)[C@H](C)c1cc(C)nc(C(C)C)n1,C63032885_decoy,CP3A4,Decoy,0 +CCCc1cc([C@@H](C)[C@@H](C)[NH2+]CC)ncn1,C63032990_decoy,CP3A4,Decoy,0 +CCCCC[C@H]1C(=O)[NH+]=c2ccccc2=C1O,C08586204_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)NCC1CCC1)CC(C)(C)C,C66498017_decoy,CP3A4,Decoy,0 +O=Cc1ccc(OC(=O)c2ccccc2F)cc1,C00312722_decoy,CP3A4,Decoy,0 +O=C(Oc1ccccc1)[C@H]1O[C@H]1c1ccccc1,C01762176_decoy,CP3A4,Decoy,0 +COC[C@@H]1N=C(CC(C)C)O[C@@H]1c1ccccc1,C01616014_decoy,CP3A4,Decoy,0 +CCN(CC)c1nc(C2CC2)nc2ccccc12,C06774569_decoy,CP3A4,Decoy,0 +O=Cc1ccc(Oc2ccccc2C=O)cc1,C15442702_decoy,CP3A4,Decoy,0 +CCCCCn1ncc(Cl)c(Cl)c1=O,C23115077_decoy,CP3A4,Decoy,0 +CC(C)CO[C@H]1CCC[C@@H](OCC(C)C)O1,C17302668_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C\C(=O)/C=C/c2ccc(C)o2)o1,C31769627_decoy,CP3A4,Decoy,0 +CCN(CC)c1nc2sccn2c1CCl,C35429017_decoy,CP3A4,Decoy,0 +C=CCn1c(C(=O)N(C)CC)cc2sccc21,C37263489_decoy,CP3A4,Decoy,0 +CC(C)(C)OCC(=O)c1coc2ccccc12,C37348743_decoy,CP3A4,Decoy,0 +CCOc1cn(C(C)(C)C)cc1OCC,C39099778_decoy,CP3A4,Decoy,0 +CCCn1c(C)nnc1SCc1ccccc1,C39755292_decoy,CP3A4,Decoy,0 +CC(=O)OCc1c(C)c(C)c(C=O)c(C)c1C,C40488499_decoy,CP3A4,Decoy,0 +C[C@@H](C1CC1)n1cc(C=O)c(C(C)(C)C)n1,C40931953_decoy,CP3A4,Decoy,0 +CCc1nc(N(CC)CC)c2cc(C)sc2n1,C41090639_decoy,CP3A4,Decoy,0 +CCOC(=O)/C=C/C(=O)c1ccc(Cl)s1,C41291591_decoy,CP3A4,Decoy,0 +COc1cc(C)c([C@@H](C)[C@@H](C#N)N(C)C)cc1C,C41298101_decoy,CP3A4,Decoy,0 +CCCCSc1nnc(C2CC2)n1C1CC1,C41351350_decoy,CP3A4,Decoy,0 +CCCCSc1nnc(C2CCCC2)n1C,C41360058_decoy,CP3A4,Decoy,0 +CC(C)C[C@@H](C)N(C)c1cc(Cl)ncn1,C42597058_decoy,CP3A4,Decoy,0 +CC(C)CN(c1nsnc1Cl)C(C)C,C42597122_decoy,CP3A4,Decoy,0 +CCN(c1ccc(C=O)cc1F)[C@H](C)COC,C42770153_decoy,CP3A4,Decoy,0 +CCN(CC(F)(F)F)c1ccc(Cl)nn1,C42796149_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H](C)CO[C@@H]1CCC[C@H](C)C1,C43614414_decoy,CP3A4,Decoy,0 +CCC[C@H]1CCC(=O)[C@@H](C(=O)OCC)C1,C43651400_decoy,CP3A4,Decoy,0 +CCC[C@@H](C)N(C)C(=O)C1(C#N)CCCCC1,C44385954_decoy,CP3A4,Decoy,0 +CC[C@H](C#N)C(=O)N(CC)C1CCCCC1,C44810755_decoy,CP3A4,Decoy,0 +CCCSc1nnc(C)n1Cc1ccccc1,C44865889_decoy,CP3A4,Decoy,0 +Cc1ccc(CN(C)C(=O)CCC2CCCC2)o1,C47466188_decoy,CP3A4,Decoy,0 +C/C=C/c1ccccc1OCC(=O)c1ccco1,C48022432_decoy,CP3A4,Decoy,0 +CCCN(c1cc(Cl)ncn1)C(C)C,C48631199_decoy,CP3A4,Decoy,0 +Cc1cc(C=O)cc(C)c1OC[C@@H]1CCOC1,C49688558_decoy,CP3A4,Decoy,0 +COc1ccc(/C(C#N)=C/N(C)C)cc1C(C)C,C49831969_decoy,CP3A4,Decoy,0 +C[C@H]1CC=CC[C@H]1COCC(=O)c1ccco1,C50160420_decoy,CP3A4,Decoy,0 +CCC[C@](C)(C=O)CN1CCOC[C@@H]1CC,C51177224_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C)C[C@]2(C=O)CCOC2)c(C)c1,C51178804_decoy,CP3A4,Decoy,0 +Cc1nc(Cl)cc(O[C@H](C)CC(C)C)n1,C52834906_decoy,CP3A4,Decoy,0 +Cc1nc(Cl)cc(N(C)CCC(C)C)n1,C52836532_decoy,CP3A4,Decoy,0 +CCCCN(CC)c1nc(C)c(C(C)=O)s1,C54861709_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)C[C@H](C#N)c1ccc(C)cc1,C57534698_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O,C39416298_decoy,CP3A4,Decoy,0 +CCO[C@H](CC)C(=O)N(C)c1ccc(C)cc1,C60352124_decoy,CP3A4,Decoy,0 +C/C=C/C(=O)OCC(=O)c1cc(C)ccc1C,C60380006_decoy,CP3A4,Decoy,0 +CCc1nc(N(C)CC2CCC2)sc1C=O,C61486777_decoy,CP3A4,Decoy,0 +CCC[C@H](C#N)C(=O)N1CCC(C)(CC)CC1,C62959287_decoy,CP3A4,Decoy,0 +CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)CC#N)C1,C63086354_decoy,CP3A4,Decoy,0 +CCCN(C)S(=O)(=O)c1cc(F)ccc1C,C63766296_decoy,CP3A4,Decoy,0 +CCCN(C)S(=O)(=O)c1ccc(C)cc1C,C63766394_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C)S(=O)(=O)CC(C)C)cc1,C66584736_decoy,CP3A4,Decoy,0 +Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1,C02531488_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2F)C(=O)Cc2ccccc2)cc1,C03764872_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1,C03243530_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(CC)cc4)c(C(F)(F)F)oc3c2)cc1,C01938613_decoy,CP3A4,Decoy,0 +CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S,C08836484_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@H](C)OC(=O)CCCOc2ccc(Br)cc2Cl)cc1Cl,C08847030_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12,C08861136_decoy,CP3A4,Decoy,0 +CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccccc3)S2)cc1,C09425532_decoy,CP3A4,Decoy,0 +CCN(CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)c1cccc(C)c1,C09693910_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)CSc2nc3scc(-c4ccccc4Cl)c3c(=O)n2CCOC)cc1,C02655060_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)c1C,C12541656_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C/C(=N\O)[C@@]2(OC(C)=O)C1,C13423776_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](Nc2nc3ccc(C)cc3s2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,C15224013_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1,C20331389_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)[C@H](CC)Sc2nc(-c3ccccc3)nc3c2c(CC)nn3-c2ccccc2)cc1,C21534733_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)c2ccccc2F)cc1,C22393284_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CC[C@@H](C)C2,C03355607_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1,C30870172_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)sc(C)c1-c1ccccc1,C16044295_decoy,CP3A4,Decoy,0 +CC(C)CCNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCC(=O)c3ccc(F)cc3)nc2c1,C32944651_decoy,CP3A4,Decoy,0 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+CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C=C1[C@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](CCC(C)(C)O)OC(C)=O)CC[C@@]12O,C34704085_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1,C34918369_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(OCCC(C)C)c(OC)c1,C34918370_decoy,CP3A4,Decoy,0 +CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OC,C34919674_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C([O-])C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C,C35024679_decoy,CP3A4,Decoy,0 +CCCCCCc1ccc(C(=O)Nc2ccc([C@H]3NC(=O)N(CCC)C(C)=C3C(=O)OCCOC)cc2)cc1,C35710371_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1,C36006721_decoy,CP3A4,Decoy,0 +C/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)CCC1CCCCC1)c1cccc(Cl)c1,C36481674_decoy,CP3A4,Decoy,0 +CC(C)(C)CC(C)(C)NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1,C36500258_decoy,CP3A4,Decoy,0 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+COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)ccc1OC(C)=O,C01761846_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(OC)c1OC(C)=O,C01772615_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(OC)c1OC,C01820845_decoy,CP3A4,Decoy,0 +CCOC(=O)c1ccc(NC(=O)CCCSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1,C01830002_decoy,CP3A4,Decoy,0 +CCOC(=O)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(OCC)cc2)cc1,C01851416_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C,C01876973_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c2c(O)cccc2O)c2ccccc2)cc1OC,C36610160_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](c4ccc(OC)cc4)CC(=O)C32)cc(Br)c1O,C00708097_decoy,CP3A4,Decoy,0 +N#CC(Cc1cc(Cl)cc2c1OCOC2)(Cc1cc(Cl)cc2c1OCOC2)C(=O)NCCc1ccccc1,C03324745_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1,C01770511_decoy,CP3A4,Decoy,0 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+C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc1-2)c1ccccc1,C01875307_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CC)C(=O)Nc1c(C(C)C)cccc1C(C)C,C35067119_decoy,CP3A4,Decoy,0 +CCCCNC(=O)CN1C(=O)CS[C@H](c2ccccc2F)c2c(C(C)(C)C)nn(-c3ccc(C)cc3C)c21,C35848556_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c2c(O)cccc2O)c2cccc(Cl)c2)c(C)c1,C36484838_decoy,CP3A4,Decoy,0 +CC[C@H](C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1,C36558680_decoy,CP3A4,Decoy,0 +CCCCC/C=C/C(=O)N([C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1)C(C)(C)C,C36582311_decoy,CP3A4,Decoy,0 +COc1ccc(CCC(=O)N(Cc2ccc(C)o2)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccccc2O)cc1,C36598033_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(C)o2)C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1,C36601319_decoy,CP3A4,Decoy,0 +C=CCn1c(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2c(c1=O)[C@](C)(CCC)Cc1ccccc1-2,C40036289_decoy,CP3A4,Decoy,0 +CCCCOc1ccccc1/C=N/Nc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2,C40036920_decoy,CP3A4,Decoy,0 +CCCCC1CCC(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)CC1,C40038607_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1,C40392121_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1,C40392124_decoy,CP3A4,Decoy,0 +CCCCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1OCC,C39912730_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C,C38705956_decoy,CP3A4,Decoy,0 +Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C,C00887375_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(CCBr)cc1,C01055502_decoy,CP3A4,Decoy,0 +COc1ccc(CCNc2nc(SC)nc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1OC,C01270445_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1,C01382274_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnc(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1,C01756053_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2,C01757195_decoy,CP3A4,Decoy,0 +CCCCc1nc2sc3c(SCC(=O)Nc4ccc(C(C)=O)cc4)ncnc3c2c2c1COC(C)(C)C2,C01773674_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)n2-c2ccc(Cl)cc2)cc1,C01777678_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1C(C)=Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2[C@@H]1c1ccc(C(=O)OC)cc1,C01786118_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)cc3)nnc2-c2ccc(C)cc2)cc1,C01794631_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1,C01801619_decoy,CP3A4,Decoy,0 +CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)Nc4ccc(Br)cc4)n(CCc4ccccc4)c(=O)c23)CO1,C01813550_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1,C01821919_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1,C01822450_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1,C01825997_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc(Br)c1O,C01830402_decoy,CP3A4,Decoy,0 +C=C(NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(OC(C)=O)cc1,C01840766_decoy,CP3A4,Decoy,0 +CC[NH+](CC)c1ccc([N-]C2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1,C01850554_decoy,CP3A4,Decoy,0 +CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1,C01860214_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/C(Br)=C/c1ccccc1,C01862735_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1,C01864132_decoy,CP3A4,Decoy,0 +CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1,C01874754_decoy,CP3A4,Decoy,0 +COc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)o2)cc(OC)c1OC,C02650614_decoy,CP3A4,Decoy,0 +COc1ccc(CN(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccccc2C(F)(F)F)cc1,C00918291_decoy,CP3A4,Decoy,0 +COc1cc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]c2cc1OC,C00918890_decoy,CP3A4,Decoy,0 +COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)c(Cl)cc2Cl)cc1Cl,C03336612_decoy,CP3A4,Decoy,0 +C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1,C03374409_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,C06197863_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12,C01103705_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1,C09080255_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)cc1,C09081027_decoy,CP3A4,Decoy,0 +CCCOc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1,C09105696_decoy,CP3A4,Decoy,0 +Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1,C09152232_decoy,CP3A4,Decoy,0 +CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1,C09272566_decoy,CP3A4,Decoy,0 +CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3ccc(Br)cc3)scc12,C09381414_decoy,CP3A4,Decoy,0 +O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12,C02237222_decoy,CP3A4,Decoy,0 +COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)cc2)cc1OC,C02908595_decoy,CP3A4,Decoy,0 +COc1cc(CN(C(=O)C2CCCCC2)[C@H]2CCCCNC2=O)cc(OC)c1OCCc1ccsc1,C12191606_decoy,CP3A4,Decoy,0 +CC(C)CCn1c(=O)c2ccccc2n2c(CSCC(=O)Nc3ccccc3Br)nnc12,C02656161_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1,C02361425_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OC,C13881023_decoy,CP3A4,Decoy,0 +CC(C)COc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCc2ccccc2)cc1Br,C14652524_decoy,CP3A4,Decoy,0 +CC(C)COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1OCCc1ccccc1,C14665117_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@H]1CCCO1,C16701125_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O,C22341440_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(Br)c(OC)c1OC,C01985616_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2CCC(C)C)cc1,C32944628_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1,C33058791_decoy,CP3A4,Decoy,0 +Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,C33058998_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1,C33516562_decoy,CP3A4,Decoy,0 +COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C33628213_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1,C33803778_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N2[C@@H](c3cccs3)SC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC,C35103494_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(C(C)(C)C)cc2)N1C(=O)c1cc(OC)c(OC)c(OC)c1,C35214911_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(C)cc2C)N(Cc2ccco2)C(=O)CCS)cc1,C36501314_decoy,CP3A4,Decoy,0 +C/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)c1ccc(OC)cc1)c1ccccc1Cl,C36543815_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(Cc2ccc(C)o2)C(=O)CC(C)C)cc1,C36556272_decoy,CP3A4,Decoy,0 +C/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)Cc1ccccc1C,C36556739_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N([C@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)c2ccccc2C)C(C)(C)C)cc1,C36584426_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)CNC(=O)[C@H](c2ccc(C)cc2C)N(Cc2ccc(C)o2)C(=O)CCl)cc1,C36599929_decoy,CP3A4,Decoy,0 +C=C(C)C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)[C@H](C)c1ccccc1,C36601680_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCN(c3ccc(F)cc3)CC2)cc1,C38666166_decoy,CP3A4,Decoy,0 +CCOc1ccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)=O)C3)cc1,C38804582_decoy,CP3A4,Decoy,0 +CSc1cc2c(cc1S(=O)(=O)Oc1ccccc1)CCN1N[P@@](=O)(Cc3ccccc3)OC[C@@H]21,C39464207_decoy,CP3A4,Decoy,0 +CCCn1c(NCc2ccc(OC)cc2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O,C39851679_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1,C39896514_decoy,CP3A4,Decoy,0 +CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O,C40066869_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)COc2ccc(Br)cc2C(C)(C)C)sc2c1[C@@H](C(=O)OC)CC2,C40852735_decoy,CP3A4,Decoy,0 +COc1ccc(CCn2c(-c3csc(-c4ccc(C)nc4)n3)cc(C(=O)NCC(C)C)c2C)cc1OC,C43251519_decoy,CP3A4,Decoy,0 +COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1,C38619454_decoy,CP3A4,Decoy,0 +CCc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1,C57310360_decoy,CP3A4,Decoy,0 +CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H]1CCCN1C(=O)c1ccc(Br)cc1,C59180554_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C/c2cc(Cl)ccc2OCCOc2cc(C)ccc2C(C)C)/C(=O)N=C2SC(CC)=NN2/1,C27531189_decoy,CP3A4,Decoy,0 +CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[NH+](Cc1ccc(F)cc1)Cc1ccco1,C06149264_decoy,CP3A4,Decoy,0 +CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+](Cc1ccccc1)Cc1ccco1,C06149363_decoy,CP3A4,Decoy,0 +CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[NH+](Cc1cccs1)C[C@@H]1CCCO1,C06149605_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1,C06198023_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+](Cc3cccnc3)Cc3ccco3)cc2c1,C06135280_decoy,CP3A4,Decoy,0 +Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+](Cc3cccnc3)Cc3ccco3)c(O)nc2cc1C,C08670971_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1,C09045727_decoy,CP3A4,Decoy,0 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+CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1,C16688440_decoy,CP3A4,Decoy,0 +CCC[C@@]1(C(=O)OCC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21,C12497973_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CC[NH+](C)CC2)cc1,C20115000_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCc1ccccc1Cl,C22109165_decoy,CP3A4,Decoy,0 +CC(=O)c1cccc(NC(=O)N(Cc2ccco2)C2CC[NH+](Cc3ccccc3S(C)(=O)=O)CC2)c1,C24884117_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCC[C@H](C)NC(=O)c1csc(CSc2nnc(C)n2-c2cccc(Cl)c2)n1,C35342996_decoy,CP3A4,Decoy,0 +C#CCOC[C@H](O)C[NH+](Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1,C35777703_decoy,CP3A4,Decoy,0 +CC1CCN(c2onc(-c3ccccc3)c2C[NH+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)CC1,C35781431_decoy,CP3A4,Decoy,0 +CC[C@H](C)[NH+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)CN1CCOCC1,C36249095_decoy,CP3A4,Decoy,0 +COc1ccccc1Oc1c(C[NH+](CC2CC2)C[C@H](O)CN2CCOCC2)c(C)nn1-c1ccccc1,C36302326_decoy,CP3A4,Decoy,0 +Cn1nc(-c2ccccc2)c(C[NH+](C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1,C36307249_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C33937066_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N/N=C/c2ccc(OC)c(C[NH+]3CCc4cc(OC)c(OC)cc4[C@H]3C)c2)cc1,C13497228_decoy,CP3A4,Decoy,0 +CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[NH+](Cc3nc(-c4cccc(Br)c4)no3)C2)c1,C38904664_decoy,CP3A4,Decoy,0 +O=Cc1cccc(OC[C@@H](O)C[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H]2CCS(=O)(=O)C2)c1,C40318645_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[NH+](CC(C)C)C[C@@H](O)CN1CCOCC1,C36304003_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2/C(=[NH2+])N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1,C27549785_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2/C(=[NH2+])N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1,C12285443_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1CCC[NH+](Cc2c(O)cc(C)c3c2O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)C1,C41586377_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1CCC[NH+](Cc2c(O)cc(C)c3c2O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)C1,C41586405_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1CCC[NH+](Cc2c(O)cc(C)c3c2O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)C1,C41586406_decoy,CP3A4,Decoy,0 +Cc1cccc(S(=O)(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)c1,C63187687_decoy,CP3A4,Decoy,0 +O=C(CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)C1=c2ccccc2=[NH+]C1,C39944576_decoy,CP3A4,Decoy,0 +O=C(COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1,C63258829_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1OC,C45912744_decoy,CP3A4,Decoy,0 +C=CCc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)OCC)CCN(Cc2ccccc2)C3)c1[O-],C16680094_decoy,CP3A4,Decoy,0 +CCOc1ccc(CSCCc2c(C)nc(SCc3ccc(OC)c([N+](=O)[O-])c3)nc2[O-])cc1,C16854072_decoy,CP3A4,Decoy,0 +O=C([O-])CCCCC[C@@H](CNS(=O)(=O)c1ccc(-c2cccc3ccccc23)cc1)c1cccnc1,C27438292_decoy,CP3A4,Decoy,0 +C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)cc2)nc1C,C33364504_decoy,CP3A4,Decoy,0 +Cn1c([O-])c(C(=O)/C=C/C[C@H](c2ccccc2)N(c2ccccc2)c2ccccc2)c(=O)c2ccccc21,C04235435_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1OCC,C33526213_decoy,CP3A4,Decoy,0 +CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nccs2)cc1OCC,C33546511_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(CC)cc2)nc1C,C34953522_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(CC)cc2)nc1C,C35420616_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1OCC,C35445023_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C35445394_decoy,CP3A4,Decoy,0 +COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccc(F)cc3)N2[C@H]1c1cccs1,C35695879_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@H]1c1ccc(Cl)cc1,C35698228_decoy,CP3A4,Decoy,0 +CC(C)COc1nc(-c2ccccc2F)n(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1,C35794512_decoy,CP3A4,Decoy,0 +[S-]/C(=N\C1=C(Cl)[C@@H](Cc2ccc(Cl)c(Cl)c2)N=N1)N(Cc1ccccc1)Cc1ccccc1,C22840438_decoy,CP3A4,Decoy,0 +CCN/C([O-])=C/C1=CSC2=NC(c3ccccc3)=C(C(=O)OCC)[C@H](c3ccc(OC)c(OC)c3)N12,C36064320_decoy,CP3A4,Decoy,0 +CCC/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1,C36484327_decoy,CP3A4,Decoy,0 +CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C(=O)NC(C)(C)CC(C)(C)C)[C@@H](C)c1ccccc1,C36513834_decoy,CP3A4,Decoy,0 +CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C(=O)NC(C)(C)C)C(c1ccccc1)c1ccccc1,C36570121_decoy,CP3A4,Decoy,0 +CCCCNC(=O)[C@H](c1c(OC)ccc2ccccc12)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C,C36585874_decoy,CP3A4,Decoy,0 +CCCCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36596729_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)sc2c1CCCC2,C38756553_decoy,CP3A4,Decoy,0 +CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(CCC)s2)cc1F,C39997860_decoy,CP3A4,Decoy,0 +CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(C(C)C)s2)cc1F,C39997898_decoy,CP3A4,Decoy,0 +CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1,C40000117_decoy,CP3A4,Decoy,0 +O=C(C1=C([O-])C(=O)N(c2nnc(SC/C=C/c3ccccc3)s2)[C@@H]1c1cccs1)c1ccccc1,C40000570_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(OCCCCC)c(OCC)c1,C40027170_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1cc(Br)ccc1OC,C40027370_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC=C)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)cc1,C40028791_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1,C40076319_decoy,CP3A4,Decoy,0 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+CC(C)OC(=O)C1=C(C(F)(F)F)N=C2SC=C(/C=C(\[O-])NC3CC3)N2[C@H]1c1ccc(C(C)C)cc1,C36065067_decoy,CP3A4,Decoy,0 +CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1C,C36513814_decoy,CP3A4,Decoy,0 +CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)C([O-])=NC2=S)cc1,C36542237_decoy,CP3A4,Decoy,0 +C[C@H](c1ccccc1)[C@H](C(=O)NC(C)(C)C)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl,C36544645_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1C2=C(CCCCC2)S[C@@H]1NC(=O)[C@@H](C)Sc1nnc2nc([O-])cc(C(C)(C)C)n12,C39732326_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(CCC)s2)cc1C,C39997851_decoy,CP3A4,Decoy,0 +CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(SC)s2)cc1,C39998019_decoy,CP3A4,Decoy,0 +CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)c(C)c3)[C@H]2c2cccs2)s1,C40000252_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCC)s2)cc1,C40000448_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCCC)c(C)c2)[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C40027721_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1,C40076318_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2C)[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C40084652_decoy,CP3A4,Decoy,0 +CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C,C40085803_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C([O-])C(=O)N2CCCC)cc1OCC,C40093645_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OCCC)c(OCC)c1,C40094238_decoy,CP3A4,Decoy,0 +CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CCCC)cc1OCC,C40096076_decoy,CP3A4,Decoy,0 +CC(C)(C)c1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2CCOCCO)cc(C(C)(C)C)c1O,C40097134_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OCC(C)C)c(OC)c1,C40098488_decoy,CP3A4,Decoy,0 +COc1ccc(Cc2cnc(/N=C([O-])/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3ccccc3)s2)cc1,C40147270_decoy,CP3A4,Decoy,0 +Cc1cc(C)nc(N/C(=N/C(=O)/C=C/c2ccc3c(c2)OCO3)[N-]CCc2c[nH]c3ccc(Cl)cc23)n1,C18222788_decoy,CP3A4,Decoy,0 +CCCC[C@H]1CN(c2c(C(C)C)cccc2C(C)C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)nc1,C52541640_decoy,CP3A4,Decoy,0 +CCCC[C@H]1CN(c2c(CC)cccc2CC)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)nc1,C52541652_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)Oc2ccc(/C=C(C#N)/C([O-])=N/c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)cc1,C13388132_decoy,CP3A4,Decoy,0 +CC[C@H](C)c1ccc(OCCn2cccc2/C=C2\C(=O)N=C([O-])N(c3ccc(C)c(Cl)c3)C2=O)cc1,C17196493_decoy,CP3A4,Decoy,0 +CCC1=C(C)c2cc3[nH]c(cc4nc(cc5c(CC)c(C)c(cc1n2)n5C)C(C)=C4CCC(=O)[O-])c(CCC(=O)[O-])c3C,C04208858_decoy,CP3A4,Decoy,0 +Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C1=C[C@H](c2ccccc2F)N(C(=O)CCC(=O)[O-])N1,C01791306_decoy,CP3A4,Decoy,0 +CC(C)(C)c1cc(C(=O)[O-])c(Sc2c(C(=O)[O-])cc(C(C)(C)C)cc2C(C)(C)O)c(C(C)(C)O)c1,C01872034_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3c(C(=O)[O-])cc(Br)cc32)cc1OC,C12401731_decoy,CP3A4,Decoy,0 +O=C(COc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-])NCCC(c1ccccc1)c1ccccc1,C13014842_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C(=O)[O-])c(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)n1,C13021663_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2C(=O)[O-])[C@@H]3c2ccc(OC)cc2)cc1,C13145789_decoy,CP3A4,Decoy,0 +CCc1ccc(CC)c(-c2csc(NS(=O)(=O)c3ccc(Br)c(C(=O)[O-])c3)n2)c1,C13195529_decoy,CP3A4,Decoy,0 +O=C([O-])CC/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2s1,C14359111_decoy,CP3A4,Decoy,0 +CC(C)(C)[C@H]1CCc2c(sc3nc(SCc4ccc(C(=O)[O-])cc4)n(-c4ccccc4)c(=O)c23)C1,C16322824_decoy,CP3A4,Decoy,0 +CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1,C08771456_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C,C13571177_decoy,CP3A4,Decoy,0 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+COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12,C04731400_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1,C02281104_decoy,CP3A4,Decoy,0 +CCCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CCC3,C05212582_decoy,CP3A4,Decoy,0 +CC(=O)O[C@@H]1CC2=CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)[C@H](OC(C)=O)C1,C05228758_decoy,CP3A4,Decoy,0 +O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(Cl)(Cl)Cl,C01388014_decoy,CP3A4,Decoy,0 +CCCn1c(SCC(=O)N2CCCCCC2)nc2sc3c(c2c1=O)CCCC3,C03364053_decoy,CP3A4,Decoy,0 +Fc1ccc(CSCc2nnc(S)n2-c2ccc3c(c2)OCO3)c(Cl)c1,C06402656_decoy,CP3A4,Decoy,0 +CCc1oc2ccccc2c1/C=c1\s/c(=C(/C#N)C(=O)C(C)(C)C)n(CC)c1=O,C07748467_decoy,CP3A4,Decoy,0 +N#C[C@@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1ccc2ccccc2n1,C09090635_decoy,CP3A4,Decoy,0 +C=CCn1/c(=N\C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2cc(F)ccc21,C09565889_decoy,CP3A4,Decoy,0 +C=CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2c(s1)CCCC2,C10446812_decoy,CP3A4,Decoy,0 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+CCOc1cc([C@@H]2N(S(=O)(=O)c3ccccc3)C[C@H]3c4ccccc4CC[NH+]23)ccc1OC,C06164922_decoy,CP3A4,Decoy,0 +C[C@H](c1nnc(SCC(=O)c2ccc3c(c2)OCCO3)n1-c1ccc(Cl)cc1)[NH+](C)C,C09101570_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)CC(=O)N(CCC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1,C09385349_decoy,CP3A4,Decoy,0 +CCS(=O)(=O)c1cccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Cl)cc3s2)c1,C09385370_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2s1,C09385472_decoy,CP3A4,Decoy,0 +Cc1c(Cl)ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc12,C09387670_decoy,CP3A4,Decoy,0 +COc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2[C@H](C)[NH+]2CCCCC2)cc1,C09547335_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2cc(C)c(C)cc2s1,C09708062_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N(Cc1ccco1)C1=CCCCC1,C09835643_decoy,CP3A4,Decoy,0 +C[C@@H](c1nnc(SCc2nnc(-c3ccccc3)o2)n1-c1ccc(F)cc1)[NH+]1CCCCC1,C09952434_decoy,CP3A4,Decoy,0 +Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCC[NH+](Cc2cc3c(cc2Cl)OCO3)C1,C11789195_decoy,CP3A4,Decoy,0 +C=CCn1c(C[NH+](C)Cc2cc3c(cc2Cl)OCO3)nnc1SCc1cccc(F)c1,C12167572_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+](Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)cc1,C12864042_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1Cc1ccccc1)[NH+](C)C,C13127902_decoy,CP3A4,Decoy,0 +CC1(C)O[C@H]2O[C@@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3C[NH+](CCCl)Cc3ccccc3)[C@H]2O1,C16990802_decoy,CP3A4,Decoy,0 +O=c1cc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c2c(ccc3ccccc32)o1,C22819580_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(S(=O)(=O)N2CC[NH+](CCn3nc(-c4ccccc4)ccc3=O)CC2)c(C)c1,C23244146_decoy,CP3A4,Decoy,0 +CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1,C33173635_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1Sc1nccnc1Oc1ccccc1)N1CCN(c2cccc[nH+]2)CC1,C33289241_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)C[NH+]1CCN(c2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)CC1,C34749906_decoy,CP3A4,Decoy,0 +COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(Cc1sccc1C)CC2,C34755627_decoy,CP3A4,Decoy,0 +CCN(CC)C(=O)C[NH+]1CCN(c2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)CC1,C34755772_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)C1CCCCC1,C34834627_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(Oc2sc(Nc3ccccc3)[n+](-c3ccccc3)c2-c2ccccc2)cc1,C35395689_decoy,CP3A4,Decoy,0 +CCC(C)(C)C1CCC(=N[n+]2c(-c3ccc([N+](=O)[O-])cc3)csc2NC2CCCCC2)CC1,C35535491_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(c(CN(CC(C)C)C(=O)c3cccs3)nn2-c2ccccc2OC)C1,C35921500_decoy,CP3A4,Decoy,0 +CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1,C36312298_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CC[NH+](C)C)c1OC,C38712841_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CC[NH+](C)C)c1,C38712845_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3c1ccc(Cl)c(Cl)c1,C38726244_decoy,CP3A4,Decoy,0 +C[C@@H]1N=C(COc2ccccc2/C=C/C(=O)N2CC=C(C3=c4cccnc4=[NH+]C3)CC2)CS1,C38793157_decoy,CP3A4,Decoy,0 +Cc1ccc2sc(N(CCCn3cc[nH+]c3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc2c1C,C38848082_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)c2ccccc2OC)cc1OC,C38906138_decoy,CP3A4,Decoy,0 +COc1cc(C(=O)N(C[C@H]2C=c3ccccc3=[NH+]C2=O)c2ccccc2C)cc(OC)c1OC,C38917868_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C[C@H](CN(Cc1cccs1)S(=O)(=O)c1ccccc1F)C(=O)[NH+]=2,C39324950_decoy,CP3A4,Decoy,0 +CCCCC[n+]1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)csc1Nc1ccc(OC)cc1,C39834651_decoy,CP3A4,Decoy,0 +CCOc1ccc2c(c1)=C[C@H]([C@H]1c3cc(OC)c(OC)cc3CCN1C(=O)C(C)(C)C)C(=O)[NH+]=2,C40010563_decoy,CP3A4,Decoy,0 +C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1,C40014403_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+](Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@@H]32)cc1,C43742691_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2noc(CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(Cl)cc3)n2)cc1F,C45810060_decoy,CP3A4,Decoy,0 +Cc1ccccc1C[NH+]1CCCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1,C46721706_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(OC(F)(F)F)cc2s1,C56902087_decoy,CP3A4,Decoy,0 +CCS(=O)(=O)N1CCc2cc(C(=O)CSc3[nH+]c(C)c(C)n3C3CCCCC3)ccc21,C24932963_decoy,CP3A4,Decoy,0 +C[C@@H](c1nn(C[NH+](C)CCOc2ccc(Cl)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C,C58260572_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1,C59352641_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(CCc4ccccc4)C(=O)N32)cc1,C63350717_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(CCc4ccccc4)C(=O)N32)cc1,C63350718_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C1=c2ccccc2=[NH+]C1,C63886477_decoy,CP3A4,Decoy,0 +CCCN(Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2[nH+]1,C33268832_decoy,CP3A4,Decoy,0 +CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCN(c4ccccc4)CC3)cc2c1,C06077763_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccco3)C[C@@H]3CCCO3)cc2c1,C06197898_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccco3)C[C@@H]3CCCO3)cc2c1,C06198143_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CC[NH+](Cc1ccccc1)C2,C08793075_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(C(=O)CCc2nc3ccccc3s2)CC1)Nc1ccc(OC(F)(F)F)cc1,C09666108_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1,C10224551_decoy,CP3A4,Decoy,0 +COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC(F)F,C10519679_decoy,CP3A4,Decoy,0 +Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+](Cc1ccccc1)Cc1ccccc1)n2C/C=C/c1ccccc1,C09278356_decoy,CP3A4,Decoy,0 +CC[C@@]1(C2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O,C11791009_decoy,CP3A4,Decoy,0 +COc1ccc(Cn2nnnc2C[NH+](CCc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1,C12832852_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1Cc1ccccc1)[NH+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O,C13063875_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCC[NH+](CC)CC)cc1OCC,C08901044_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2/C(=C(\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OC,C08986199_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1Cc1ccccc1)[NH+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O,C13495825_decoy,CP3A4,Decoy,0 +Cc1cc2cc(C[NH+](C3CCCCC3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C,C13498905_decoy,CP3A4,Decoy,0 +CCOC(=O)CNc1ccc(Cl)cc1[C@H]1c2cc(OC)c(OC)cc2CC[NH+]1CC(=O)OCC,C16682809_decoy,CP3A4,Decoy,0 +CCOC(=O)CNc1ccc(Cl)cc1[C@@H]1c2cc(OC)c(OC)cc2CC[NH+]1CC(=O)OCC,C16682810_decoy,CP3A4,Decoy,0 +COc1cc2cc(CN(CCc3cccc(C)c3)/C(S)=N/CCC[NH+](C)C)c(O)nc2cc1OC,C08686722_decoy,CP3A4,Decoy,0 +Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+](Cc3cccnc3)Cc3ccco3)c(O)nc2c1,C08582548_decoy,CP3A4,Decoy,0 +CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CC[NH+](CC)CC3)c(O)ccc2c1=O,C19793185_decoy,CP3A4,Decoy,0 +CC[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)o1,C20530502_decoy,CP3A4,Decoy,0 +Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,C21755422_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NCCC[NH+]4CCCC[C@@H]4C)cnc23)cc1OCC,C21913955_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCn1c(SCC(=O)Nc2cccnc2Cl)nc2sc3c(c2c1=O)CCCC3,C21994005_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc(C[NH+]3CCN(Cn4nc(NC(C)(C)C)sc4=S)CC3)cs2)cc1,C22419763_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2F)cc1,C22431505_decoy,CP3A4,Decoy,0 +C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](c3ccccc3)[NH+](CC)CC)nnc12,C22752806_decoy,CP3A4,Decoy,0 +C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)nnc12,C25383732_decoy,CP3A4,Decoy,0 +Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1,C30854299_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCCC1,C32761145_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2C)c(OS(=O)(=O)CC)c1,C34921765_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCCN(c3ccc(NC(=O)c4ccc(C)cc4)cn3)CC2)c(OC)c1OC,C35852137_decoy,CP3A4,Decoy,0 +CC(C)OC[C@H](O)C[NH+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1,C36306976_decoy,CP3A4,Decoy,0 +CC(C)OC[C@@H](O)C[NH+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1,C36306979_decoy,CP3A4,Decoy,0 +CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1,C33937275_decoy,CP3A4,Decoy,0 +COc1ccc(-c2noc(C[NH+]3CCC[C@H](C(=O)N[C@@H](c4ccccc4C)C(C)C)C3)n2)cc1OC,C38893722_decoy,CP3A4,Decoy,0 +O=C(NCCCOC1CCCC1)[C@@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1,C38904845_decoy,CP3A4,Decoy,0 +COc1ccc(N(C[C@@H]2C=c3cc(OC)ccc3=[NH+]C2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,C38990336_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)[C@@H](CC)SC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1,C39205226_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1Sc2nc(C[NH+](C)CC3=C(C)N=N[C@@H]3C)ccc2[C@@H]1NC(=O)c1cccc(C)c1C,C39371397_decoy,CP3A4,Decoy,0 +CCCS(=O)(=O)c1ncc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c(Cl)n1,C40986177_decoy,CP3A4,Decoy,0 +CCCCS(=O)(=O)c1ncc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(Cl)n1,C40986237_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)cc1,C21138381_decoy,CP3A4,Decoy,0 +CCCCn1c(SCC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)[nH+]c(C)c1C,C45772550_decoy,CP3A4,Decoy,0 +C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)nnc12,C45819952_decoy,CP3A4,Decoy,0 +CCOc1ccc(-n2c(SCC(=O)NCCCOC(C)C)nnc2C2=c3ccccc3=[NH+]C2)cc1,C63151096_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)COC(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c2ccc(Cl)cc2)cc1,C63622982_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(c2ccccc2)[C@H](C)S[C@@H]1NC(=O)COC(=O)CCC1=c2ccccc2=[NH+]C1,C63908311_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H](C2=c3ccccc3=[NH+]C2)[C@@H]2CC=CS2)CC1,C64173481_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)CC1,C65054982_decoy,CP3A4,Decoy,0 +C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCc5cc(OC)c(OC)cc5[C@@H]4CCO)[C@H]3C[C@H]12,C08790366_decoy,CP3A4,Decoy,0 +CC(/C=C1\SC(=S)N(CCCC(=O)NN2CC[NH+](C)CC2)C1=O)=C\c1ccccc1,C08820581_decoy,CP3A4,Decoy,0 +C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1,C09244408_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)[C@@H]1CCS(=O)(=O)C1,C09349042_decoy,CP3A4,Decoy,0 +O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)C[C@H]([NH2+]CCCn1ccnc1)CC3,C12241084_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1c[nH]cn1)N(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1,C11935871_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)C[NH+](C)Cc2nc(-c3cccc(N4CCCC4=O)c3)cs2)c(C)c1,C12873667_decoy,CP3A4,Decoy,0 +O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,C13016625_decoy,CP3A4,Decoy,0 +O[C@@H]1CCC[NH+](Cn2nc(CSc3nc4ccccc4s3)n(-c3ccccc3)c2=S)C1,C03256130_decoy,CP3A4,Decoy,0 +CCc1ccc(OCC(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c(Br)c1,C14554216_decoy,CP3A4,Decoy,0 +CCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1Br,C14554415_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2,C14731928_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2,C14732363_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1,C14927864_decoy,CP3A4,Decoy,0 +CC(C)[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,C14939390_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1,C15787707_decoy,CP3A4,Decoy,0 +Brc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCOCC3)s2)c1,C20576743_decoy,CP3A4,Decoy,0 +CN1CCc2cc([C@H](CNS(=O)(=O)Cc3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21,C21777168_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc21,C22561289_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc21,C22561292_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@@H](CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2cccs2)CC1,C22681518_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)C[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1,C22790871_decoy,CP3A4,Decoy,0 +C[NH+](C)Cc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3,C12879084_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1,C24451099_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1,C24451102_decoy,CP3A4,Decoy,0 +O=C(NCc1ccccc1C[NH+]1CCCCC1)c1sccc1S(=O)(=O)N1CCCCC1,C24957916_decoy,CP3A4,Decoy,0 +CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1,C26141204_decoy,CP3A4,Decoy,0 +COc1ccc(OC)c(C[NH+]2[C@@H]3CC[C@H]2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1,C27698037_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1,C30594706_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,C34798102_decoy,CP3A4,Decoy,0 +Cc1cccc(C(=O)N2CCN([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1,C36255101_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@H](CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)[NH+]3CCCC3)ccc21,C38670516_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1,C38673671_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(C2=NN=C[C@@H]2CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1,C39515779_decoy,CP3A4,Decoy,0 +Cc1cc(CN2CC[NH+](CC(=O)Nc3ccc(C)c(I)c3)CC2)no1,C39536571_decoy,CP3A4,Decoy,0 +COCC[NH2+][C@H]1C[C@@H]2C3=NC4=CC=CCC4=C3C[C@@H](C(=O)OC)N2[C@H](c2ccccc2F)C1,C39560914_decoy,CP3A4,Decoy,0 +O=C(CSC1=N[C@H]2[NH+]=c3ccc(Br)cc3=C2N=N1)NCc1ccccc1F,C40011331_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,C45521963_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3cc[nH+]c(N(C)C)c3)[C@@H]2c2cccs2)cc1,C46863882_decoy,CP3A4,Decoy,0 +CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=[NH2+])N12,C20114777_decoy,CP3A4,Decoy,0 +CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1,C12411287_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1OC,C22931974_decoy,CP3A4,Decoy,0 +C[NH+]1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cn2)CC1,C58184255_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](CNC(=O)C[C@H]1c2ccccc2CCN1C(C)=O)[NH+]1CCCCC1,C59782746_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1,C60242911_decoy,CP3A4,Decoy,0 +C[C@@H]1CCC2=C(C1)C[C@H](c1nnc(SCC(=O)NCCC3=c4ccccc4=[NH+]C3)o1)S2,C63181166_decoy,CP3A4,Decoy,0 +C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,C63493896_decoy,CP3A4,Decoy,0 +O=C(NCCc1ccccc1)C1=CC2=NC(=S)N(CCC3=c4ccccc4=[NH+]C3)C(=O)[C@@H]2C=C1,C63708396_decoy,CP3A4,Decoy,0 +COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=c3ccccc3=[NH+]C2)C12CCCC2,C63822150_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@H]([C@H]1NC(CCN(C)C(=O)c3ccc(Br)cc3)=NO1)[NH+]=2,C64678407_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1)c1ccccc1,C02700581_decoy,CP3A4,Decoy,0 +C=CCSc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)s1,C08916830_decoy,CP3A4,Decoy,0 +O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ncc(Cl)cc1Cl,C09119437_decoy,CP3A4,Decoy,0 +CSCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCc4cccnc4)c3)nn12,C09187303_decoy,CP3A4,Decoy,0 +COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1,C09466467_decoy,CP3A4,Decoy,0 +CN(c1ccc(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1)S(C)(=O)=O,C09513594_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,C09575935_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc(C)c1C,C09781661_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(Nc2ccccc2F)s1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1,C10078510_decoy,CP3A4,Decoy,0 +O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,C10633269_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1Cc1ccc(F)cc1,C10695753_decoy,CP3A4,Decoy,0 +COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C(C)C)cccc1C(C)C,C11858375_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CN2C[C@H](c4ccccc4)CC2=O)C3)nc1,C12191377_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)NC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1,C01432352_decoy,CP3A4,Decoy,0 +CC(=O)c1c(C)nc(C)nc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1,C12986809_decoy,CP3A4,Decoy,0 +Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3cccc4c3OC(C)(C)C4)CC2)c1,C13842806_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1C,C14693550_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)cc1,C15669247_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1,C16003645_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)sc(C)c1C,C16006839_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(F)ccc4F)n3n2)cc1OC,C16047680_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2-c2ccc(C)cc2)cc1,C16756921_decoy,CP3A4,Decoy,0 +CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc(-c2ccccn2)nc1C,C19203567_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)nnc2N2CCCC2)cc1,C19605045_decoy,CP3A4,Decoy,0 +C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1,C20334357_decoy,CP3A4,Decoy,0 +CC[C@H](C(=O)Nc1nn(Cc2cn(CC)nc2C)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2,C20607643_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c(C)n(C)c1C,C21116462_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC,C21229974_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)N1CCNC1=O,C21464341_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1,C22426324_decoy,CP3A4,Decoy,0 +CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,C23686424_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccc2nsnc12)N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1,C19078359_decoy,CP3A4,Decoy,0 +CCOc1ccccc1NC(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccc(Br)cc2C1=O,C24522785_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCCn3cnc4ccccc4c3=O)cc2)C1,C24693712_decoy,CP3A4,Decoy,0 +Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1,C25226348_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H](NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1nccn1C,C25518782_decoy,CP3A4,Decoy,0 +COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)c(OC)c1,C27094795_decoy,CP3A4,Decoy,0 +COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(=O)c1C#N,C28617781_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1,C32698869_decoy,CP3A4,Decoy,0 +Cc1c(-n2c(SCC(=O)N[C@H](C)C(C)C)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,C03426445_decoy,CP3A4,Decoy,0 +CC(C)OC(=O)c1c(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)sc2c1CCCC2,C03379129_decoy,CP3A4,Decoy,0 +Cc1ccc(OCC(=O)N2CCN(c3nnc(SCC(=O)Nc4ccccc4)s3)CC2)cc1,C49368589_decoy,CP3A4,Decoy,0 +CCOC(=O)c1sc2[nH]c(/C(=C/c3cnn(-c4ccccc4)c3)c3ccccn3)nc(=O)c2c1C,C49573531_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C/c2cn(CCOc3cccc(OC)c3)c3ccccc23)/C(=O)N=C2SC(C(C)C)=NN2/1,C12382049_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)C2=NN=C(c3ccc(Br)cc3)C2)cc1,C63399300_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C\c2ccc(OCCOc3cc(C)cc(C)c3)c(OC)c2)\C(=O)N=C2SN=C(SC)N2\1,C20205480_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C\c2ccc(OCCOc3ccc(C)cc3)cc2)/C(=O)N=C2SC(N3CCCCC3)=NN2/1,C20356417_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)c(C)c1,C63635409_decoy,CP3A4,Decoy,0 +CC1=C2C(=O)N=C([C@H](C)OC(=O)c3cccc(S(=O)(=O)NCC(F)(F)F)c3)N=C2S[C@H]1C,C64230995_decoy,CP3A4,Decoy,0 +COc1ccc(C)cc1NC(=O)CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21,C64889017_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCNC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CCC(C)CC3)cc(C)c2c1,C09598035_decoy,CP3A4,Decoy,0 +Cc1cccc2cc(C[NH+](CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12,C12832890_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]C3CCCCCCC3)cc2OC)CC1,C20204890_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2CN1CCN(c2cccc[nH+]2)CC1)Nc1cccc(F)c1,C15672675_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@H](c3ccco3)[NH+]3CCCCC3)nc2)CC1,C15170595_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](C)[NH+]1CCc2cc(OC)c(OC)cc2C1,C38550157_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)C[NH+]1CCc2cc(O)c(OC)cc2[C@H]1C,C38550277_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1,C38592576_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1[NH+]=c2ccc(OC)cc2=C1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1,C38600752_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1CCC[NH+](CCC(=O)NC2=c3ccc(OC)cc3=[NH+][C@@H]2C(=O)OC)C1,C38654193_decoy,CP3A4,Decoy,0 +CCOC(=O)C1CC[NH+](CCC(=O)NC2=c3ccc(OC)cc3=[NH+][C@H]2C(=O)OC)CC1,C38661887_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)=[NH+]C(=O)[C@H](CNc1ccc([C@H]3Nc4[nH+]cccc4O3)cc1C)C=2,C38789177_decoy,CP3A4,Decoy,0 +COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1,C39011732_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@@H]1[NH+]=c2cc3c(cc2=C1NC(=O)C[NH+]1CCN(c2ccccc2)CC1)OCO3,C39030299_decoy,CP3A4,Decoy,0 +COc1cc(C[NH2+]C[C@@H]2N=NC3=C2CCC3)ccc1OC[C@@H](O)C[NH+]1CCSCC1,C39518975_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCNC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2)C(C)C,C39634707_decoy,CP3A4,Decoy,0 +CCC(CC)C(=O)N1C[C@@H](C(=O)NCCC2=c3cc(C#N)ccc3=[NH+][C@@H]2C)C2(CC[NH2+]CC2)C1,C39674717_decoy,CP3A4,Decoy,0 +C[C@@H]1[NH+]=c2ccc(C#N)cc2=C1CCNC(=O)[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CC12CC[NH2+]CC2,C39674763_decoy,CP3A4,Decoy,0 +C[C@H]1[NH+]=c2ccc(C#N)cc2=C1CCNC(=O)[C@@H]1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,C39674800_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2,C39678932_decoy,CP3A4,Decoy,0 +CCCC[NH+]1CCC(CNC(=O)[C@@H]2CN(C(=O)C3CCOCC3)CC23CC[NH2+]CC3)CC1,C39683613_decoy,CP3A4,Decoy,0 +CCCC[C@@H](C)C(=O)N1C[C@@H](C(=O)NCCN2CCC[NH+](C)CC2)C2(CC[NH2+]CC2)C1,C39685636_decoy,CP3A4,Decoy,0 +C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CN(C(=O)c3ccc(Oc4ccccc4)nc3)CC23CC[NH2+]CC3)C1,C39689793_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)c2cc(OC)ccc2OC)CC12CC[NH2+]CC2,C39695617_decoy,CP3A4,Decoy,0 +CSc1cccc(NC(=O)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C[NH+](C)CCc2ccccn2)c1,C43526938_decoy,CP3A4,Decoy,0 +COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[NH+]4CCCC[C@@H]34)[NH+](Cc3cccc(C)c3)C2)nn1,C43619698_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(C(=S)NC[C@@H]2CCC[NH+]2CC)CC1,C45521930_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C,C15868947_decoy,CP3A4,Decoy,0 +O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2[nH]c(-c3ccc(F)c(F)c3)c[nH+]2)CC1,C58178841_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(S(=O)(=O)Nc3ccc(C(=O)N4CCN(CC(F)(F)F)CC4)cc3)cc2=[NH+]1,C39780261_decoy,CP3A4,Decoy,0 +CC1CCN(C2=[NH+]N[C@@H](S[C@@H](C)C(=O)C3=c4ccccc4=[NH+]C3)N2C[C@@H]2CCCO2)CC1,C39780279_decoy,CP3A4,Decoy,0 +CC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1,C63122568_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1S[C@@H](NC(=O)CSC2[NH+]=c3ccccc3=[NH+]2)N[C@H]1c1ccccc1,C63303350_decoy,CP3A4,Decoy,0 +COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H]([NH2+]CCC3=c4ccccc4=[NH+]C3)C2=O)c1,C63330620_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)CC1,C63663800_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(CCNC(=O)CC2CCN(C(=O)[C@H]3C=c4ccc(OC)cc4=[NH+]3)CC2)CC1,C63738298_decoy,CP3A4,Decoy,0 +Cc1ccc(OCC(=O)Nc2nnc(SC[C@H]3[NH+]=c4ccccc4=[NH+]C3=O)s2)cc1,C63751987_decoy,CP3A4,Decoy,0 +COCCNC(=O)c1nn(CCC(C)C)c2c1CN(CC1[NH+]=c3ccccc3=[NH+]1)CC2,C63985784_decoy,CP3A4,Decoy,0 +CC1=C(CO[C@H]2CN(CC(C)C)C(=O)C[NH+](C[C@@H]3C=c4ccccc4=[NH+]3)C2)[C@H](C)ON1,C63993520_decoy,CP3A4,Decoy,0 +CC(C)CC[C@@]1(C2CCN(C(=O)[C@@H]3C=c4ccccc4=[NH+]3)CC2)NC(=O)N(CC[NH+](C)C)C1=O,C64040726_decoy,CP3A4,Decoy,0 +CN(CC[C@@H]1[NH+]=c2ccc(F)cc2=[NH+]1)C(=O)[C@H]1C=C(COc2cccc3cnccc23)ON1,C64043920_decoy,CP3A4,Decoy,0 +O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@H]2C=c3ccccc3=[NH+]2)CC1,C64044235_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc([C@H]2C=c3ccccc3=[NH+]2)c1)[C@@H]1CCC[NH+](Cc2ccc(CO)o2)C1,C64053597_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1CCC[NH+](CCC(=O)NC2=c3c(OC)cccc3=[NH+][C@@H]2C(=O)OC)C1,C39016998_decoy,CP3A4,Decoy,0 +CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N(C)CC2[NH+]=c3ccccc3=[NH+]2)c1=O,C64166669_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(CCC2[NH+]=c3ccccc3=[NH+]2)o1)Nc1cccc2nsnc12,C64423227_decoy,CP3A4,Decoy,0 +COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4c(c3)=[NH+]C(=O)[NH+]=4)CC2)cc1,C64470735_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCC(CC(=O)NCCCN3CC[NH+](C)CC3)CC1)C=2,C64540852_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)[C@H]3C=c4cc(Cl)ccc4=[NH+]3)CC2)CC1,C64541020_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(CCCNC(=O)[C@@H](C)C2CCN(C(=O)[C@H]3C=c4cc(Cl)ccc4=[NH+]3)CC2)CC1,C64541228_decoy,CP3A4,Decoy,0 +CC[C@@H]1CCCC[NH+]1Cc1c(O)ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc12,C04290043_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)C[NH+]2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)sc(C)c1C,C02075411_decoy,CP3A4,Decoy,0 +Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C,C08749492_decoy,CP3A4,Decoy,0 +CCOc1ccc2nc(S[C@H](Nc3cc(Cl)cc[nH+]3)c3ccc(Br)cc3)sc2c1,C08854682_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc12,C09359004_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)c2C(=O)OCC)C1,C09383346_decoy,CP3A4,Decoy,0 +N/C(Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)=[NH+]\[C@@H](CC(=O)c1cccs1)C(F)(F)F,C09846892_decoy,CP3A4,Decoy,0 +CCOC(=O)c1oc2c(C[NH+]3CCCC[C@@H]3C)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1,C01811480_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc4ccc(F)c(F)c4F)cc3)sc2c1,C12691359_decoy,CP3A4,Decoy,0 +C[NH+](C)CCNc1nc(SCc2ccccc2)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3,C09425302_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C1CCCCC1)[NH+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,C13495943_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl,C16688669_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)(C)C)cc1,C08902292_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)C)cc1,C09186666_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1,C09312699_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1,C09312698_decoy,CP3A4,Decoy,0 +CCCc1nc2ccccc2c(NC(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1CC,C19805767_decoy,CP3A4,Decoy,0 +CC[C@H](C)[NH+](CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)C1CCCCC1,C20737459_decoy,CP3A4,Decoy,0 +CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc2c(C[NH+](CC(C)C)CC(C)C)c1O,C28120804_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)N1CC[NH+](CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)C(=O)Nc2ccc(Cl)cc2)CC1,C00744624_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)N1CC[NH+](CCN(CC2=CC[C@@H]3C[C@H]2C3(C)C)C(=O)Nc2ccc(Cl)cc2)CC1,C00744625_decoy,CP3A4,Decoy,0 +CCCCSc1nc(N2CC[NH+](CC(=O)Nc3ccccc3C)CC2)c2c3c(sc2n1)CCCC3,C34756157_decoy,CP3A4,Decoy,0 +CC(C)(C)NC(=O)N(CC[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1)CC1=CC[C@H]2C[C@@H]1C2(C)C,C34999727_decoy,CP3A4,Decoy,0 +CC(C)(C)CC(C)(C)Nc1c(-c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)[nH+]c2ccccn12,C35190986_decoy,CP3A4,Decoy,0 +CCCCc1ccc(C(=O)Oc2cccc(-c3[nH+]c4c(C)cccn4c3NC(C)(C)CC(C)(C)C)c2)cc1,C35191179_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1,C35703266_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc(Br)c1OCc1ccccc1F,C17719463_decoy,CP3A4,Decoy,0 +Cc1cccc(C[NH+](C[C@H]2CCCO2)C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccc(C)c(C)c2)c1,C35891028_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)C[C@@H]2CCCO2)s1,C36203578_decoy,CP3A4,Decoy,0 +CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[NH+](C[C@H](O)COCc1ccccc1)C1CC1,C36307875_decoy,CP3A4,Decoy,0 +CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)cc1,C27695035_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc([C@H]2NN=C(SCC(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N2c2ccccc2)cc1,C38932703_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)[NH+]3CCCCCC3)o2)cc1,C40322880_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3nc(C[NH+](CC(C)C)C[C@H](O)COc4ccc(Cl)cc4)[nH]c(=O)c23)cc1C,C35747139_decoy,CP3A4,Decoy,0 +C=CCN(CC=C)c1cc(Cl)nc(SCc2cccc(C(=O)NCCC[NH+]3CCCC[C@@H]3C)c2)n1,C40368224_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH2+]CCCOC(C)C)cc(Br)c1OCc1c(Cl)cccc1Cl,C40740353_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2ncc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCCCC3)c(Cl)n2)cc1,C40985845_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3nc(-c4cccc(Br)c4)no3)C2)C(C)C)c(C)c1,C44821529_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)ccc1OCc1cccc(C(F)(F)F)c1,C02654160_decoy,CP3A4,Decoy,0 +CCOc1cccc2cc(C(=O)Nc3ccccc3CC)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12,C59170656_decoy,CP3A4,Decoy,0 +COc1ccc(N2C(=S)[NH+]=C(NC(c3ccccc3)c3ccccc3)C23CCC(C(C)(C)C)CC3)cc1,C03098000_decoy,CP3A4,Decoy,0 +CC(C)(C)OC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)[C@@H]1NN[C@H](SCc2c(Cl)cccc2Cl)O1,C63339760_decoy,CP3A4,Decoy,0 +CC(C)(C)OC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)[C@@H]1NN[C@@H](SCc2c(Cl)cccc2Cl)O1,C63339762_decoy,CP3A4,Decoy,0 +CCCCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccccc3)N2C1=O,C63375535_decoy,CP3A4,Decoy,0 +CCCCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C1=O,C63375537_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C1CCN[C@H](c3ccc(OC)c(COc4cc(C)c(Cl)cc4C(C)C)c3)[C@@H]1[NH+]=2,C63426681_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C1CCN[C@@H](c3ccc(OC)c(COc4cc(C)c(Cl)cc4C(C)C)c3)[C@@H]1[NH+]=2,C63426682_decoy,CP3A4,Decoy,0 +N#Cc1ccc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)ccc3n2)cc1OCC[NH+]1CCCC1,C63772403_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)CCc1cc(C(=O)NC[C@H](C3=c4ccccc4=[NH+]C3)c3ccc(N(C)C)cc3)sc1-2,C63900429_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2,C35397169_decoy,CP3A4,Decoy,0 +Cc1cc(Oc2c(C(F)(F)F)oc3c(C[NH+]4CCCCC4)c(O)ccc3c2=O)ccc1Cl,C01791596_decoy,CP3A4,Decoy,0 +O=c1c(Oc2ccccc2Br)c(C(F)(F)F)oc2c(C[NH+]3CCCCC3)c(O)ccc12,C00934295_decoy,CP3A4,Decoy,0 +O=C(N[C@@H](OC[C@@H]1CCC[NH+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1,C08927359_decoy,CP3A4,Decoy,0 +CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[NH+]12,C09317898_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1,C11612286_decoy,CP3A4,Decoy,0 +c1ccc(CCOc2cc(-c3csc4ccccc34)cc3c2OCC[NH+](Cc2ccc[nH]2)C3)nc1,C12131322_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1-c1nc(C[NH+](C)CC(=O)Nc2cccc(C)c2C)cs1,C12771832_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1,C09008342_decoy,CP3A4,Decoy,0 +O=c1c2c3c(sc2ncn1CCc1ccccn1)C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)CC3,C12151716_decoy,CP3A4,Decoy,0 +C[NH+](C)[C@@H](CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1c[nH]c2ccccc12,C02333966_decoy,CP3A4,Decoy,0 +O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1coc3ccccc3c1=O)CC2,C14992876_decoy,CP3A4,Decoy,0 +O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)CC3,C15071493_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)c2cccs2)CC1,C15859996_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@H]2c2cccc(F)c2)cc1,C01404945_decoy,CP3A4,Decoy,0 +Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12,C20183131_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3N3CC[NH+](C)CC3)o2)cc1Cl,C20972926_decoy,CP3A4,Decoy,0 +Cc1ccccc1Cn1c(N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)[nH+]c2ccccc21,C21160237_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc3ccccc23)[NH+]2CCc3ccccc3C2)cc1,C21755454_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1Br,C22240803_decoy,CP3A4,Decoy,0 +CN(C)c1ccc([C@H]2[NH2+]C[C@@H](CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)O2)cc1,C25583809_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCCC1)Oc1ccc(Cl)cc1C,C27237984_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCCC2)cc1,C27662248_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2c3cccn3CC[NH+]2Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)o2)cc1,C35523389_decoy,CP3A4,Decoy,0 +CC[C@@H](NC(=O)c1ccccc1Cl)[C@@H]1c2cc(OC)c(OC)cc2CC[NH+]1Cc1ccccc1C,C35674433_decoy,CP3A4,Decoy,0 +CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[NH+]1Cc1ccccc1C,C35674489_decoy,CP3A4,Decoy,0 +CC[C@H](NC(=O)c1ccccc1C)[C@H]1c2cc(OC)c(OC)cc2CC[NH+]1Cc1ccccc1C,C35674515_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1,C35779863_decoy,CP3A4,Decoy,0 +CN1CCN(C2=C([NH2+]C(C)(C)C)N(c3cccc(C(F)(F)F)c3)C(=S)C23CCCCC3)CC1,C21337463_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)s1,C36203621_decoy,CP3A4,Decoy,0 +CSc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1,C38546513_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN([C@H](c2ccc(SC)cc2)c2c(NC(=O)c3cccs3)sc(C)c2C)CC1,C38546793_decoy,CP3A4,Decoy,0 +C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](Cc4ccccc4)[C@@H]4CCOC(C)(C)C4)[C@H]3C[C@@H]12,C38555866_decoy,CP3A4,Decoy,0 +C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](Cc4ccccc4)[C@@H]4CCOC(C)(C)C4)[C@H]3C[C@H]12,C38555867_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1[NH+]=c2ccc(Cl)cc2=C1NC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2,C38614017_decoy,CP3A4,Decoy,0 +CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3I)[NH+]3CCCC3)ccc21,C38670573_decoy,CP3A4,Decoy,0 +COc1ccccc1C[C@H]1CCC[NH+](CC(=O)Nc2ccc(Br)c3ccccc23)C1,C39306940_decoy,CP3A4,Decoy,0 +Cc1c(OCc2ccccc2F)ccc([C@H]2[NH+]=NC(C(F)(F)F)=C2C2=N[C@@H](C)SC2)c1O,C39984690_decoy,CP3A4,Decoy,0 +CCC(CC)C(=O)NC[C@H]1C[C@H]2CC[NH+]1C[C@@H]2c1cc(-c2ccccc2Br)nc(C)n1,C43528117_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN([C@H](c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2cccs2)CC1,C22938234_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)Nc2c([C@@H](c3ccc(Cl)cc3)N3CC[NH+](C)CC3)oc3ccccc23)cc1,C22938323_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2,C45912776_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1,C35397144_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](C)[NH2+]Cc2cc(Br)c(Br)o2)cc1Br,C50360366_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2SCc2cscn2)C1,C59286913_decoy,CP3A4,Decoy,0 +C[C@H]([NH2+]CCOc1c(Br)cc(Br)cc1Br)[C@H]1CCCO1,C60647909_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)CC1,C22803263_decoy,CP3A4,Decoy,0 +CCOc1cc(S(=O)(=O)NCCC2=c3cccc(Cl)c3=[NH+][C@@H]2C)ccc1Br,C63314254_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C1CCN[C@H](c3ccc(OC)c(COc4ccc(Br)cc4)c3)[C@@H]1[NH+]=2,C63426655_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(C(C)(C)C)cc1,C35397155_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=[NH+]\c1cccc(C(F)(F)F)c1,C67292475_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1,C01455297_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)c1ccc(Br)s1,C03441688_decoy,CP3A4,Decoy,0 +CCN1C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N(CC)C1=S,C00636488_decoy,CP3A4,Decoy,0 +Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl,C08778419_decoy,CP3A4,Decoy,0 +CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCSCC2)SC1=S,C02253320_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[C@@H](c1ccc(SC)cc1)N(C)C2=O,C09936683_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)sc2c1,C10528948_decoy,CP3A4,Decoy,0 +CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(SC)cc4s3)CC2)cc1,C12495234_decoy,CP3A4,Decoy,0 +O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCS/C3=N\CCc3ccccc3)ccc21,C12582324_decoy,CP3A4,Decoy,0 +Cc1nc(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c2c(C)c(C)sc2n1,C12786986_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1,C12604154_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3ncn(CC(=O)c4cc(C)n(C[C@H]5CCCO5)c4C)c(=O)c23)s1,C09684554_decoy,CP3A4,Decoy,0 +Cc1nc(C(=O)N2CCC(n3c([C@H]4CCCO4)nc4cc(C(F)(F)F)ccc43)CC2)cs1,C14998028_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Br)cc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1,C15039162_decoy,CP3A4,Decoy,0 +Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1,C15431761_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O,C16192830_decoy,CP3A4,Decoy,0 +CCN(C(=O)[C@@H](C)Sc1ncnc2scc(-c3ccccc3)c12)[C@@H]1CCS(=O)(=O)C1,C16774983_decoy,CP3A4,Decoy,0 +Cc1csc(SCc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)n1,C17051866_decoy,CP3A4,Decoy,0 +CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C20050115_decoy,CP3A4,Decoy,0 +O=C(CCCc1cn(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc12)N1CCCC1,C20759983_decoy,CP3A4,Decoy,0 +O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1,C21875856_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2ccnc2SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1C,C22707472_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)CC2,C23996088_decoy,CP3A4,Decoy,0 +O=C(OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1)c1cc(Br)ccc1F,C25214547_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Br)cc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1,C25402027_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Br)cc1Cl)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1,C25402036_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1,C29289145_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(F)cc1Br)N1CCN(C(=O)c2ccc(Br)o2)CC1,C32278911_decoy,CP3A4,Decoy,0 +O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1,C33476805_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C12795478_decoy,CP3A4,Decoy,0 +CCC1=C2C(=O)N=C(/C(=C\c3cc(Br)cs3)C(=O)N3CCOCC3)N=C2S[C@@H]1C,C39142638_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)[C@H]1CN(S(=O)(=O)Oc2ccccc2)[C@]2(CC[C@H](Br)C2)C1,C39508798_decoy,CP3A4,Decoy,0 +CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3C[C@@H](C)C[C@H](C)C3)cc21,C40450238_decoy,CP3A4,Decoy,0 +CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3C[C@H](C)C[C@@H](C)C3)cc21,C40450239_decoy,CP3A4,Decoy,0 +C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CN1CCN(c2ccccn2)CC1,C40812723_decoy,CP3A4,Decoy,0 +CCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S,C40938029_decoy,CP3A4,Decoy,0 +O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br,C11026513_decoy,CP3A4,Decoy,0 +O=Cc1cc(Br)ccc1OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1,C45616572_decoy,CP3A4,Decoy,0 +O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCc2sccc2C1,C14221896_decoy,CP3A4,Decoy,0 +Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1,C46671526_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](Sc2ccccc2)C(=O)N1c1cccc(N2C(=O)C[C@@H](Sc3ccccc3)C2=O)c1,C01064261_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1,C27090903_decoy,CP3A4,Decoy,0 +O=C(COc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1,C32635137_decoy,CP3A4,Decoy,0 +COc1ccccc1CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1,C32501591_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=C(\C#N)C(=O)N2CCN(C)CC2)cc(I)c1OCC,C59677361_decoy,CP3A4,Decoy,0 +COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3cc(Br)ccc3N1[C@H]2C(=O)C(C)(C)C,C13680862_decoy1,CP3A4,Decoy,0 +C[C@H]1CN(C(=O)c2cccc(Br)c2)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1,C09245303_decoy,CP3A4,Decoy,0 +COCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3ccc(Br)cc3C=C[C@H]21,C13680862_decoy2,CP3A4,Decoy,0 +CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CC(OCc4cccc(F)c4)C3)cc21,C64968772_decoy,CP3A4,Decoy,0 +O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1,C32634555_decoy,CP3A4,Decoy,0 +COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCl)CC2,C05437362_decoy,CP3A4,Decoy,0 +O=C(Nc1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1)c1ccccc1,C00866165_decoy,CP3A4,Decoy,0 +Cc1ccc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C,C00914307_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)C(=O)NC2=S)cc1,C06508308_decoy,CP3A4,Decoy,0 +CC(C)CN1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S,C01293781_decoy,CP3A4,Decoy,0 +O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1,C08833886_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(=O)c4ccccc4)cc2)C[S@+]([O-])C3)cc1,C08919402_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C[C@@H](CNC(=O)c3ccccc3I)CC2=O)cc1,C08925645_decoy,CP3A4,Decoy,0 +O=C(/C=C/c1ccc(Br)s1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,C08938895_decoy,CP3A4,Decoy,0 +C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)nc2scc(C3CC3)c2c1=O,C09315844_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)C(=O)NC1=S,C01154577_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCN(C(C)=O)C2,C09639513_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F,C09742284_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2cccc(I)c2)c(C)s1,C09841771_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2ccnc2SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)c1,C11424680_decoy,CP3A4,Decoy,0 +CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1,C12347514_decoy,CP3A4,Decoy,0 +CCC(=O)O[C@]1(C(=O)CCl)[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,C12503128_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O,C14469259_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2nn(C)cc2I)sc2c1CCCC2,C01174969_decoy,CP3A4,Decoy,0 +C=CCn1cc(C[C@@H](C)NC(=O)[C@H]2CC(=O)OC23CCCC3)c2cc(Br)ccc21,C16888783_decoy,CP3A4,Decoy,0 +CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)c1,C19170767_decoy,CP3A4,Decoy,0 +Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2,C14741693_decoy,CP3A4,Decoy,0 +CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3cccc(Br)c3)s2)CC1=O,C20577061_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)s1,C21768070_decoy,CP3A4,Decoy,0 +C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2,C21894523_decoy,CP3A4,Decoy,0 +Cc1cc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)n2)c(C)s1,C25403488_decoy,CP3A4,Decoy,0 +CCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O,C25671085_decoy,CP3A4,Decoy,0 +C=CCN1C[C@@H](C[C@H](C)NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c2cc(Br)ccc21,C27691222_decoy,CP3A4,Decoy,0 +CC(C)(C)c1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2F)cc1,C32536079_decoy,CP3A4,Decoy,0 +Cn1c(SCC(=O)Nc2ccc(I)cn2)nnc1-c1ccccc1,C32691142_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2C(=O)/C(=C\c3cc4ccccc4[nH]c3=O)SC2=S)cc1OC,C13766225_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1,C12645559_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F,C38565432_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccn3C)N3CCc4ccccc4C3)CC2=O)cc1,C38678538_decoy,CP3A4,Decoy,0 +CSc1c([C@H](CC=O)NC=O)ccc(Cc2ccccc2)c1S(=O)(=O)c1ccccc1,C39496420_decoy,CP3A4,Decoy,0 +C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]3CC[C@@](O)(C(=O)CSC(=S)N4CCCC4)[C@]3(C)CC(=O)[C@@H]12,C43743647_decoy,CP3A4,Decoy,0 +O=C(CCN1CCSC1=O)Nc1nc(-c2ccc(I)cc2)cs1,C45501494_decoy,CP3A4,Decoy,0 +O=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1cnc2ccccn2c1=O,C46847578_decoy,CP3A4,Decoy,0 +O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1,C48302169_decoy,CP3A4,Decoy,0 +[H]/N=C1C(=C\c2cn(CCOc3c(C)cccc3C)c3ccccc23)\C(=O)N=C2SC(C)=CN2\1,C13810836_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=S)NC2CC2)CC1,C16315020_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1Br,C58914683_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1,C59258063_decoy,CP3A4,Decoy,0 +O=C(CS[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O)Nc1cccc(F)c1,C01051861_decoy,CP3A4,Decoy,0 +N#C[C@@H](C(=O)COc1ccc(Br)cc1Br)c1nc2ccccc2[nH]1,C59957933_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1,C15022951_decoy,CP3A4,Decoy,0 +CC1=N[C@H](SCC2=NC(=O)C3=C(C)[C@H](C(=O)Nc4ccc(C)cc4C)SC3=N2)SC1,C40017050_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2CC(=O)N=C(SCC(=O)Nc3ccc(Br)cc3)[C@H]2C#N)s1,C64019612_decoy,CP3A4,Decoy,0 +Cc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1S(=O)(=O)c1ccc(Cl)s1,C35396840_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1,C04792940_decoy,CP3A4,Decoy,0 +C#CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NC(=O)c4ccc(OC)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840799_decoy,CP3A4,Decoy,0 +O=C(COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1)NCc1ccccc1,C00628730_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1,C02165703_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1,C08441281_decoy,CP3A4,Decoy,0 +C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCCc1ccc(O)cc1,C08767684_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c12,C08788741_decoy,CP3A4,Decoy,0 +CC(/C=C1\SC(=S)N(CCCC(=O)NNS(=O)(=O)c2ccccc2)C1=O)=C\c1ccccc1,C08820605_decoy,CP3A4,Decoy,0 +FC(F)(F)c1cccc(OCCON/C=N/C(=S)Nc2ccc(I)cn2)c1,C08857338_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)NC(=S)Nc2ccc(I)cc2C(F)(F)F)cccc1[N+](=O)[O-],C08835515_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Cl)cc1Cl)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2,C09411398_decoy,CP3A4,Decoy,0 +O=C(Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1)Nc1ccc(Br)cc1,C09701055_decoy,CP3A4,Decoy,0 +C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1OC,C10001135_decoy,CP3A4,Decoy,0 +COc1cc(Br)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1OC,C10001772_decoy,CP3A4,Decoy,0 +CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1,C12893438_decoy,CP3A4,Decoy,0 +C=CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)s1,C12894940_decoy,CP3A4,Decoy,0 +Cc1cc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCC4)cc(C)c1O,C13139042_decoy,CP3A4,Decoy,0 +O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1,C13616577_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C,C13955912_decoy,CP3A4,Decoy,0 +Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br,C13994162_decoy,CP3A4,Decoy,0 +CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cc1,C14108595_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)sc2c1CCCC2,C14150960_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)N3CCCCC3)c2)cc1Br,C14568384_decoy,CP3A4,Decoy,0 +O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(OCCc2ccccc2)c(Br)c1,C14767042_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O,C15043865_decoy,CP3A4,Decoy,0 +CCc1c(C)sc2nc(SCC(=O)NCc3ccc(OC)cc3)n(-c3ccc(O)cc3C)c(=O)c12,C03438444_decoy,CP3A4,Decoy,0 +O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O,C16478966_decoy,CP3A4,Decoy,0 +O=C(NCCc1nnc(NC(=O)c2cccc(Br)c2)s1)c1cccc(Br)c1,C17970337_decoy,CP3A4,Decoy,0 +O=C(C[S@@+]([O-])CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(Cl)cc1)Nc1ccc(F)cc1,C19941268_decoy,CP3A4,Decoy,0 +Cc1nc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3nc4ccc(Cl)cc4s3)cc2s1,C20285463_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2cc(Br)ccc2O)[C@@H]1c1ccccc1F,C20309270_decoy,CP3A4,Decoy,0 +CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(N(C)C)cc2)C3)ccc1OC(C)=O,C21232778_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1,C34990124_decoy,CP3A4,Decoy,0 +CC1=C(C(=O)N(C)C(C)C)[C@@H](c2ccc(F)cc2)N2C(/C=C(\[O-])NCC[NH+]3CCCC3)=CSC2=N1,C35698075_decoy,CP3A4,Decoy,0 +C/C=C\[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)c1ccc(O)cc1)c1ccccc1Cl,C36545070_decoy,CP3A4,Decoy,0 +CCCN(C(=O)Cc1ccccc1C)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1O,C36561491_decoy,CP3A4,Decoy,0 +CCCN(C(=O)C#Cc1ccccc1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1O,C36570422_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)CNC(=O)[C@H](c2ccc(O)cc2)N(C(=O)Cc2ccccc2C)C(C)(C)C)cc1,C36581114_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N(Cc2ccc(C)o2)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2cccc(O)c2)cc1,C36595493_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(C)o2)C(=O)c2ccc(O)cc2)cc1,C36597365_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)[C@H](O)c2ccccc21,C39022325_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)N[C@@H]3N=NC(O)=C23)ccc1OCc1ccccc1,C39359164_decoy,CP3A4,Decoy,0 +O=CC[C@H](NC=O)c1ccc(-c2ccccc2O)c(Br)c1S(=O)(=O)Oc1ccccc1,C39498532_decoy,CP3A4,Decoy,0 +CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)cc1,C39836290_decoy,CP3A4,Decoy,0 +CCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)c1,C39836370_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)NC2=O)cc1,C39856797_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl,C58913576_decoy,CP3A4,Decoy,0 +CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3-c3c(ssc3=S)C2(C)C)nc1N,C02217652_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O,C53364263_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccs2)cc1,C62269837_decoy,CP3A4,Decoy,0 +CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(OC)c(OC)c3)N2)c1O,C53362987_decoy,CP3A4,Decoy,0 +COc1cccc(/C=C2\N=C(c3ccc(Br)o3)OC2=O)c1,C00430006_decoy,CP3A4,Decoy,0 +CSc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CCCC3=O)s1,C01445949_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)CN1C(=S)N(c3ccccc3C)C(=O)[C@H]1C2,C04761308_decoy,CP3A4,Decoy,0 +CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1,C04815034_decoy,CP3A4,Decoy,0 +Cc1nc(SCC(=O)N2CCOCC2)c2c3c(sc2n1)C[C@H](C)CC3,C01326277_decoy,CP3A4,Decoy,0 +Cc1nc(SCC(=O)N2CCOCC2)c2c3c(sc2n1)C[C@@H](C)CC3,C01326276_decoy,CP3A4,Decoy,0 +COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1,C00079869_decoy,CP3A4,Decoy,0 +O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc21,C04904425_decoy,CP3A4,Decoy,0 +C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccccc3)C1)C2,C05440930_decoy,CP3A4,Decoy,0 +O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1N1CCOCC1,C07779648_decoy,CP3A4,Decoy,0 +Cc1cc2c(n1-c1ccc(S(=O)(=O)N(C)C)cc1)CC(C)(C)CC2=O,C08845934_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2nccs2)CC1,C12973751_decoy,CP3A4,Decoy,0 +Cc1sc2nc(SCC(=O)N3CCCC[C@H]3C)n(C)c(=O)c2c1C,C03526042_decoy,CP3A4,Decoy,0 +C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3sccc3c(=O)n2C)C1,C29864904_decoy,CP3A4,Decoy,0 +Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)on1,C33086887_decoy,CP3A4,Decoy,0 +CCOc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc12,C01055575_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N2CCN3CCc4ccccc4[C@@H]3C2)cc1,C36125862_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccn1,C38715704_decoy,CP3A4,Decoy,0 +Cc1cc(S(=O)(=O)N2CCC3=C(C2)[C@H](C2CCC2)N=N3)c(C)s1,C39537764_decoy,CP3A4,Decoy,0 +CCN(C(=O)c1cnc2sccn2c1=O)C1C2CC3CC(C2)CC1C3,C40139153_decoy,CP3A4,Decoy,0 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+Cc1csc(N2CCCN(S(=O)(=O)c3ccc(F)cc3C)CC2)n1,C57022677_decoy,CP3A4,Decoy,0 +C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(C#N)cc2)CC1,C23918891_decoy,CP3A4,Decoy,0 +CC(=O)N1c2ccc(S(=O)(=O)Oc3ccc(F)c(F)c3)cc2C[C@@H]1C,C58530197_decoy,CP3A4,Decoy,0 +O=C1C(=O)N(CN2CCc3sccc3C2)c2cc(N3CCCC3)ccc21,C42108812_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=CN21,C59475592_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(S[C@@H]2C[C@@H](C)OC2=O)nc2ccccc2c1=O,C60882523_decoy,CP3A4,Decoy,0 +Cc1nc(C(C)(C)C)sc1C(=O)N1CCCN(c2nccs2)CC1,C61430952_decoy,CP3A4,Decoy,0 +CC1(C)CC2=C3C(=O)N(CCc4ccccc4)C(=O)N=C3S[C@@H]2CO1,C63433642_decoy,CP3A4,Decoy,0 +Cn1c(=O)c2sccc2n2c(SCc3ccccc3F)nnc12,C35529197_decoy,CP3A4,Decoy,0 +Cc1csc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1,C64636441_decoy,CP3A4,Decoy,0 +C[C@@H]1CCCCN1C(=O)CCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1,C39756271_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4o3)C2=O)c(F)c1,C40375611_decoy,CP3A4,Decoy,0 +CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F,C36638599_decoy,CP3A4,Decoy,0 +CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C,C05338813_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2CCN(Cn3c4c(sc3=O)CCCC4)CC2)s1,C66077154_decoy,CP3A4,Decoy,0 +Cc1nc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cn1C,C66095744_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)C3(C#N)CCC3)cc12,C66336919_decoy,CP3A4,Decoy,0 +CCN(C(=O)c1sc2ncn(C)c(=O)c2c1C)[C@@H]1CCCC[C@H]1C,C66415914_decoy,CP3A4,Decoy,0 +Cc1c(N2C(=O)/C(=C\c3ccco3)SC2=S)c(=O)n(-c2ccccc2)n1C,C05171684_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(S(C)(=O)=O)C2)C3)cc1,C03841891_decoy,CP3A4,Decoy,0 +Cc1cc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)c(C)s1,C01080797_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)c1nnc2n1CCCCC2,C08220920_decoy,CP3A4,Decoy,0 +C[C@]1(N2C(=O)O[C@@H](c3ccccc3)C2=O)C(=O)N2CCS[C@@]21c1ccccc1,C01707504_decoy,CP3A4,Decoy,0 +Cc1ccccc1N1C(=O)CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@H]1C,C11784188_decoy,CP3A4,Decoy,0 +CC(C)(C)C1=NN(CC(=O)N2CCSCC2)C(=O)c2cc3sccc3n2C1,C12145894_decoy,CP3A4,Decoy,0 +Cc1cc2occ(CC(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)c2cc1C,C12813858_decoy,CP3A4,Decoy,0 +CC(=O)OC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12,C13214560_decoy,CP3A4,Decoy,0 +CN(C)/C=N/c1nc(-c2ccc(Br)cc2)c(C#N)c(C#N)c1C#N,C04053746_decoy,CP3A4,Decoy,0 +C#CCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2ccccc21,C13627325_decoy,CP3A4,Decoy,0 +O=c1c2ccsc2ncn1Cc1nnc(-c2ccc(Br)cc2)o1,C14115215_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)N2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)nn1C,C15001042_decoy,CP3A4,Decoy,0 +Cc1occc1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1,C18013585_decoy,CP3A4,Decoy,0 +O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1,C18018432_decoy,CP3A4,Decoy,0 +O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nnc(-c3cccc(Cl)c3)o2)C1,C20177736_decoy,CP3A4,Decoy,0 +Cc1nn(C(=O)c2c(F)cccc2F)c(C)c1S(=O)(=O)N1CCC(C)CC1,C20604562_decoy,CP3A4,Decoy,0 +Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1,C21700635_decoy,CP3A4,Decoy,0 +Cc1cc(C)n2c(n1)nc(=S)n2CN1CCC[C@H]1c1nc2ccccc2s1,C27498639_decoy,CP3A4,Decoy,0 +O=C(Cn1nc(Br)nc1Br)c1cc2ccccc2oc1=O,C32683837_decoy,CP3A4,Decoy,0 +CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1,C35247379_decoy,CP3A4,Decoy,0 +CSc1ccc(N2C[C@@H](c3nc4ccccc4c4nc(C)nn34)CC2=O)cc1,C36398047_decoy,CP3A4,Decoy,0 +CSc1ccc2nc(N3CCN(C(=O)c4c(C)cnn4C)CC3)sc2c1,C38506564_decoy,CP3A4,Decoy,0 +O=C(c1cc2ccccc2oc1=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1,C38731354_decoy,CP3A4,Decoy,0 +CN(c1ccccc1)c1nc([C@]2(C)C[C@]3(CC(C)(C)OC3=O)C(=O)O2)cs1,C32498149_decoy,CP3A4,Decoy,0 +C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(F)cc(F)c21,C44360746_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](c2noc(-c3ccc(Br)o3)n2)CN1c1ccccc1F,C44419712_decoy,CP3A4,Decoy,0 +O=C1C[C@H](c2noc(-c3ccc(Br)o3)n2)CN1c1cc(F)cc(F)c1,C44421269_decoy,CP3A4,Decoy,0 +O=C(C1c2ccccc2Oc2ccccc21)N1CCN(S(=O)(=O)C2CC2)CC1,C44456698_decoy,CP3A4,Decoy,0 +C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C[C@@H]12,C49604879_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1C(=O)N(C)S(=O)(=O)c1c(C)noc1C,C51561772_decoy,CP3A4,Decoy,0 +N#C/C(=C/c1cccc2c1OCCO2)C(=O)N1CCN(c2ccccc2F)CC1,C54802029_decoy,CP3A4,Decoy,0 +Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)O[C@@H](C)C3)c2c1C,C16046942_decoy,CP3A4,Decoy,0 +O=c1oc(-c2cccs2)nn1Cc1cc2c(cc1Br)OCCO2,C14350063_decoy,CP3A4,Decoy,0 +CC(C)c1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1,C17836630_decoy,CP3A4,Decoy,0 +C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ncccn5)CC4)[C@H]3C[C@@H]12,C61997754_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2CCC(=O)c3cc(F)ccc32)cc1S(=O)(=O)N(C)C,C62546759_decoy,CP3A4,Decoy,0 +Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2=O,C62547735_decoy,CP3A4,Decoy,0 +O=C(C1=NC=C(S(=O)(=O)N2CCCCCCC2)C1)N1CCCCCCC1,C63081589_decoy,CP3A4,Decoy,0 +CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=Cc3ccc4cccnc4c3N1[C@@H]2C(C)=O,C08991451_decoy,CP3A4,Decoy,0 +O=S(=O)(c1cccc(F)c1)N1CCCN(c2nc3cccnc3s2)CC1,C35514920_decoy,CP3A4,Decoy,0 +CC1=C(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C(C(=O)N2CCCCCC2)=N1,C64864130_decoy,CP3A4,Decoy,0 +CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)c(Cl)c1,C32507705_decoy,CP3A4,Decoy,0 +CC1=NN(c2ccc(C(=O)N3CCCN(c4nc(C)cs4)CC3)cc2)CC1,C55760342_decoy,CP3A4,Decoy,0 +CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1,C66728124_decoy,CP3A4,Decoy,0 +C[C@H]1CN(S(=O)(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C[C@H](C)O1,C66933554_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccc(F)c(F)c2)C1,C66934263_decoy,CP3A4,Decoy,0 +Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CC=C(c4ccccc4)CC3)c12,C31111306_decoy,CP3A4,Decoy,0 +Cc1csc(N2CCCN(C(=O)C(=O)N(C)c3cccc(C)c3C)CC2)n1,C67439778_decoy,CP3A4,Decoy,0 +Cc1oc(C(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@@H]32)cc1S(=O)(=O)N1CCCC1,C67518754_decoy,CP3A4,Decoy,0 +COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1OC,C01306906_decoy,CP3A4,Decoy,0 +O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N[C@H]1CCS(=O)(=O)C1,C05242780_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc4ccccc4c3)sc2c1,C02647363_decoy,CP3A4,Decoy,0 +CN(C(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)C1CCCCC1,C06739157_decoy,CP3A4,Decoy,0 +O=C(COc1cccc(F)c1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2,C07214322_decoy,CP3A4,Decoy,0 +CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)c1,C03332642_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2nc3c(c2NC(=O)[C@H]2CC(=O)N(c4ccc(F)cc4)C2)CSC3)cc1,C08909914_decoy,CP3A4,Decoy,0 +O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCCS3)NCc1ccccc1,C09129847_decoy,CP3A4,Decoy,0 +CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1,C10253133_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(c4ccccc4F)CC3)sc2c1,C10343080_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)n2)s1,C11512736_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cn2ncc3ccccc32)cc1,C12198249_decoy,CP3A4,Decoy,0 +C/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc([N+](=O)[O-])cc1,C12378915_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3F)CC2)cc1,C12898052_decoy,CP3A4,Decoy,0 +CCCn1c2ccccc2c2cnn(CC(=O)N[C@@H]3CCCc4ccccc43)c(=O)c21,C06900047_decoy,CP3A4,Decoy,0 +CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,C15722700_decoy,CP3A4,Decoy,0 +Cc1ccc(Br)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,C18707118_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1Cl,C18992462_decoy,CP3A4,Decoy,0 +O=C(CS(=O)(=O)c1cccc2nsnc12)Nc1ccccc1Br,C20155278_decoy,CP3A4,Decoy,0 +O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1,C20627816_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n[nH]c2=S)cc1,C20848997_decoy,CP3A4,Decoy,0 +Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c(C)n1C,C20989948_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc(OC)c1OC,C21226650_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)CC(C)(C)O2,C22363417_decoy,CP3A4,Decoy,0 +C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)sc2C1,C22699731_decoy,CP3A4,Decoy,0 +N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N[C@H]1CCS(=O)(=O)C1,C26966695_decoy,CP3A4,Decoy,0 +Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1,C27062069_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)CC2=O)c(F)c1,C32284136_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)N[C@]4(CCSC4)C3=O)cc2)cc1,C32319705_decoy,CP3A4,Decoy,0 +O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1N1CCCC1=O,C32493487_decoy,CP3A4,Decoy,0 +C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccnn1Cc1ccc(Br)cc1)CS2,C32744757_decoy,CP3A4,Decoy,0 +O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCc1ccccc1Br,C33277256_decoy,CP3A4,Decoy,0 +CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C(C)(C)C)s2)[C@H]1c1ccccc1,C36359861_decoy,CP3A4,Decoy,0 +CCOc1ccc2ccccc2c1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2,C38804674_decoy,CP3A4,Decoy,0 +CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1,C17837433_decoy,CP3A4,Decoy,0 +CC1=C2C(=O)N=C(CN3CCC[C@H](C)C3)N=C2S[C@@H]1C(=O)Nc1ccc(C)cc1C,C39431252_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)CN(C)C(=O)c2cc(Br)c(Br)s2)no1,C46843878_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc2ccc(-n3cccc3)nc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1,C49415688_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc3nc(CSc4nnc(C)n4C4CC4)[nH]c(=O)c23)s1,C06934777_decoy,CP3A4,Decoy,0 +CC1CCN(c2ccc(NC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)CC1,C12554771_decoy,CP3A4,Decoy,0 +Cc1ccsc1CNC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1,C26176351_decoy,CP3A4,Decoy,0 +C[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12,C14943550_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,C15972844_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)[C@@H](C)SCC2=NC(=O)C3=C4CCCC[C@H]4SC3=N2)n1,C39789777_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCCC4)sc23)c(C)c1,C35533136_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C#N)cc2)cc1,C64799284_decoy,CP3A4,Decoy,0 +O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1,C64928449_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c(C)c1,C65195503_decoy,CP3A4,Decoy,0 +CS(=O)(=O)N1CCc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc21,C65210463_decoy,CP3A4,Decoy,0 +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@]34O[C@@H]4C[C@@]21C,C65740720_decoy,CP3A4,Decoy,0 +Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1,C04355429_decoy,CP3A4,Decoy,0 +Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)n1-c1ccccc1,C02911375_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2,C01214417_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1,C03204977_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)c1ccc(O)cc1O,C08759625_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\C[C@H](C)CC3=C2NC(=S)N[C@H]3c2ccc(OC)c(OC)c2)cc1OC,C09076048_decoy,CP3A4,Decoy,0 +C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O,C03594500_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3,C09586044_decoy,CP3A4,Decoy,0 +COc1cc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC,C01076862_decoy,CP3A4,Decoy,0 +Cc1c(CC(=O)NCCc2ccc(O)cc2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3,C13625272_decoy,CP3A4,Decoy,0 +Cc1ccc(CNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(-c3ccccc3)[nH]c3ccccc23)o1,C13838877_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC,C14166046_decoy,CP3A4,Decoy,0 +O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2c(c1)OCCO2,C14275382_decoy,CP3A4,Decoy,0 +CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Br)cc4)cc3n2)cc1,C14275767_decoy,CP3A4,Decoy,0 +CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(O)c1)N2,C14456943_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)C[C@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)ccc1Cl,C15054993_decoy,CP3A4,Decoy,0 +O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)Nc1ccc(F)cc1F,C02720865_decoy,CP3A4,Decoy,0 +NS(=O)(=O)c1ccc(N2N=C(c3ccc(OC(F)F)cc3)C[C@H]2c2ccc(F)cc2)cc1,C20414189_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[C@@H]2C=CC[C@@H]12,C20720979_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,C20785065_decoy,CP3A4,Decoy,0 +CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc(Cl)c1O,C21226563_decoy,CP3A4,Decoy,0 +CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1,C24646844_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1,C24831441_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)CSC1=NN(C)C=C(Oc2ccc(Br)cc2)N1,C28536597_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1O,C30937433_decoy,CP3A4,Decoy,0 +COc1ccccc1-c1nc(CSc2nnc(-c3ccccc3Br)n2N)cs1,C31644607_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(S(=O)(=O)Nc2ccc(Sc3ccc(C(=O)NC(C)C)cn3)cc2)c(C)c1,C33138339_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(N[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)cc1,C33635569_decoy,CP3A4,Decoy,0 +COc1ccccc1NC(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)C[C@H](c2ccccc2)C1,C34710368_decoy,CP3A4,Decoy,0 +O=c1[nH]c(CSc2nc(-c3ccc(Br)cc3)c[nH]2)nc2scc(-c3ccco3)c12,C24105975_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccccc1)[C@H]1CN(c2ccccc2O)[C@]2(CC[C@H](c3ccccc3O)C2)C1,C39503766_decoy,CP3A4,Decoy,0 +O=C(Cc1coc2ccc3ccccc3c12)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2,C39882944_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccccc1,C39978404_decoy,CP3A4,Decoy,0 +CC1=N[C@@H]2C=CC([C@H]3NN=C(SCC(=O)Nc4c(C)cccc4C)N3c3ccccc3)=CC2=C1C,C39978657_decoy,CP3A4,Decoy,0 +Cc1cc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)c(C)c2cc1Cl,C40038211_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)Cn2c([C@@H](C)NC(=O)c3ccccc3Cl)nc3ccccc32)c(C)c1,C40298169_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)N/N=C/c2cccc(I)c2)sc2c1CCCC2,C40844734_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc2c(c1)NC(=O)CO2,C46619745_decoy,CP3A4,Decoy,0 +CCc1cccc2c(C(=O)[C@@H](Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3)c[nH]c12,C57406002_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC,C58846552_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1,C58848794_decoy,CP3A4,Decoy,0 +COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c(OC)c1,C58849236_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Br)ccc1O,C58965937_decoy,CP3A4,Decoy,0 +Nn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(Br)cc1,C59265044_decoy,CP3A4,Decoy,0 +N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl,C59336638_decoy,CP3A4,Decoy,0 +O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34,C59507443_decoy,CP3A4,Decoy,0 +COc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1-c1ccc(CO)o1,C20144824_decoy,CP3A4,Decoy,0 +CC(C)c1ccc([C@H](NC(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)C(C)C)cc1,C60154394_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)Nc2nc(-c3sc(NC(=O)c4ccccc4Cl)nc3C)cs2)cc1,C62049598_decoy,CP3A4,Decoy,0 +N#CC1=C(N)OC2=NN=C(c3ccc(F)cc3)[C@H]2[C@@H]1c1ccc(OCc2ccccc2F)cc1,C00970228_decoy,CP3A4,Decoy,0 +O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1,C04292851_decoy,CP3A4,Decoy,0 +Cc1csc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)n1,C08629320_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1,C00657907_decoy,CP3A4,Decoy,0 +C[C@@]1(CCc2ccc(Oc3ncnc4scc(-c5ccc(F)cc5)c34)cc2)NC(=O)NC1=O,C08750648_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2sc3ncn([C@H](C)C(=O)Nc4ccccc4C)c(=O)c3c2C)c(C)c1,C01980572_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)c2sc3ncn([C@@H](C)C(=O)Nc4ccccc4Cl)c(=O)c3c2C)c(C)c1,C08893669_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NNC(=O)c1ccccc1,C03369960_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccco1,C09663611_decoy,CP3A4,Decoy,0 +Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n(-c2ccccc2)n1,C09884902_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nc3ccccc3c2=O)c1,C10368262_decoy,CP3A4,Decoy,0 +O=C(CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1ccccc1Br,C10996335_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1,C10427475_decoy,CP3A4,Decoy,0 +Cc1c(C#N)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n(-c2ccccc2)c1C,C11329590_decoy,CP3A4,Decoy,0 +O=C(CCC1CCCC1)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1,C11855225_decoy,CP3A4,Decoy,0 +CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1,C11855595_decoy,CP3A4,Decoy,0 +O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)C(c1ccccc1)c1ccccc1,C11855808_decoy,CP3A4,Decoy,0 +C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)NC(=O)NC1CC1,C12469064_decoy,CP3A4,Decoy,0 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+COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc12,C22024795_decoy,CP3A4,Decoy,0 +CCc1nnsc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1,C24350687_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2ccc(C)cc2C)c1=O,C33318001_decoy,CP3A4,Decoy,0 +CC[C@H](c1nc2ccccc2c(=O)[nH]1)N(Cc1ccco1)C(=O)Nc1ccc(Br)cc1,C35026720_decoy,CP3A4,Decoy,0 +CCc1nc(NC2CCC(NC(=O)c3ccccc3)CC2)c2c(C)nn(-c3ccccc3C)c2n1,C36025954_decoy,CP3A4,Decoy,0 +CC(=O)O[C@@H]1CC[C@@](C)(O)[C@@H]2O[C@@H](C[C@@]1(C)O)[C@@H](C(C)C)[C@H]2OC(=O)/C=C/c1ccccc1,C35454811_decoy,CP3A4,Decoy,0 +Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)o1,C38659366_decoy,CP3A4,Decoy,0 +N#CC1=C(N)O[C@@H]2N=NC(CSc3nc(-c4ccccc4)ccc3C#N)=C2[C@@H]1c1ccc(F)cc1,C39315359_decoy,CP3A4,Decoy,0 +O=C(C[C@H]1S/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)NC1=O)Nc1ccc(Cl)cc1,C39856851_decoy,CP3A4,Decoy,0 +C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O,C09587012_decoy,CP3A4,Decoy,0 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+COC(=O)c1sc2nc(C[NH+](C)C(C)C)ccc2c1NC(=O)/C=C/c1ccc(F)cc1,C14986561_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCCNC(=O)c1cnn2c3c(cnc12)CCCCCC3)Cc1ccccc1,C15723655_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1,C08986125_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1,C09329390_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)cc1,C09042757_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1,C09065561_decoy,CP3A4,Decoy,0 +C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1,C09271623_decoy,CP3A4,Decoy,0 +CCOCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cc(C)ccc2C)CC1,C21159719_decoy,CP3A4,Decoy,0 +Clc1ccccc1COc1ccccc1C[NH2+]CCSc1nnnn1-c1ccccc1,C22107736_decoy,CP3A4,Decoy,0 +CCn1c2ccccc2c2cc(C[NH2+]CCCSc3nnnn3-c3ccccc3)ccc21,C22108349_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccccc2NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1,C26857353_decoy,CP3A4,Decoy,0 +O=C(NCCCSC1CCCCC1)[C@@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1,C31057597_decoy,CP3A4,Decoy,0 +CCNc1ccc(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-],C33605633_decoy,CP3A4,Decoy,0 +C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1,C36045145_decoy,CP3A4,Decoy,0 +Cc1ccccc1OC[C@@H](O)C[NH+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1,C36249837_decoy,CP3A4,Decoy,0 +Cc1cccc(Oc2c(C[NH+](C[C@H]3CCCO3)C[C@H](O)C(C)C)c(-c3ccccc3)nn2C)c1,C36306515_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc2c1CC[NH+](CC)C2,C36628712_decoy,CP3A4,Decoy,0 +COC(=O)c1c(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)sc2c1CCCC2,C23256279_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2,C09746287_decoy,CP3A4,Decoy,0 +CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21,C08606712_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCCC2,C09747179_decoy,CP3A4,Decoy,0 +CC(C)[NH+](CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)Cc1ccccc1,C09406262_decoy,CP3A4,Decoy,0 +CCCCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@H](CC)[NH+](C)C,C03551420_decoy,CP3A4,Decoy,0 +CCCCOC(=O)C1=C2CCCC[C@@H]2S[C@H]1NC(=O)/C(C#N)=C/C1=c2ccccc2=[NH+]C1,C39926709_decoy,CP3A4,Decoy,0 +Cc1cccc(COc2ccccc2C[NH2+]CCSc2nnnn2-c2ccccc2)c1,C40731474_decoy,CP3A4,Decoy,0 +Cn1nnnc1SCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12,C40744737_decoy,CP3A4,Decoy,0 +Cc1cccc(COc2ccc(Br)cc2C[NH2+]CCSc2nnnn2C)c1,C40744777_decoy,CP3A4,Decoy,0 +Cc1ccc(CSc2ncc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c(Cl)n2)cc1,C40985800_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](CNC(=O)CCc2ncc(-c3ccc(C)cc3)o2)[NH+]2CCCC2)cc1,C41020886_decoy,CP3A4,Decoy,0 +COc1ccccc1-c1cc([C@H]2CN3CC[C@@H]2C[C@@H]3C[NH2+]Cc2ccc(N(C)C)cc2)n(C)n1,C43525845_decoy,CP3A4,Decoy,0 +CCC(CC)C(=O)NC[C@H]1C[C@H]2CC[NH+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1,C43528067_decoy,CP3A4,Decoy,0 +C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(COc2ccccc2Cl)N1C1CC1,C39944137_decoy,CP3A4,Decoy,0 +Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)NCCC3=c4ccccc4=[NH+]C3)cc12,C63270843_decoy,CP3A4,Decoy,0 +CC(C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)NCCC1=c2cc(OC(F)(F)F)ccc2=[NH+][C@@H]1C,C63514806_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F)[C@H](C)[NH+]=2,C63515429_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+][C@@H](C(=O)NCc1cccc(OC)c1OC)C=2Sc1ccccc1,C63531058_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl,C63743108_decoy,CP3A4,Decoy,0 +COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl,C63743109_decoy,CP3A4,Decoy,0 +COc1cc(NC(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2ccccc2F)cc(OC)c1OC,C63743309_decoy,CP3A4,Decoy,0 +COc1ccc(CC[NH+]2CN=C(SCc3c(C)c(C)c(C)c(C)c3C)NC2)cc1OC,C04480747_decoy,CP3A4,Decoy,0 +CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)COc2cc(C)ccc2C(C)C)CC1,C05179445_decoy,CP3A4,Decoy,0 +Cc1ccc(N(C[C@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c2ccccc2)cc1,C02208446_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccccc1)N(C[C@@H](O)C[NH+](C1CCCCC1)C1CCCCC1)c1ccccc1,C09075378_decoy,CP3A4,Decoy,0 +CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)cc1C,C10508121_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@@H]2CC23CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC3)cc1Cl,C11782816_decoy,CP3A4,Decoy,0 +Fc1ccc2cc(C[NH2+]Cc3cn4ccsc4n3)c(OCc3ccccc3Cl)nc2c1,C11789415_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=O)[C@H]2CC23CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC3)cc1Cl,C12211068_decoy,CP3A4,Decoy,0 +CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCc1nc(-c2ccccc2)cs1)C3,C14981954_decoy,CP3A4,Decoy,0 +CCOCCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4cc5ccccc5s4)c(=O)c23)C1,C14987908_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N[C@H](OC[C@H]2CCC[NH+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)cc1,C16041380_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCCn1c(-c2ccc(COc3ccc(Cl)cc3Cl)cc2)n[nH]c1=S,C20028653_decoy,CP3A4,Decoy,0 +CCCC[NH+](C)CCNC(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)Sc2ccccc21,C20726561_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc(F)c1)N(CC1CC1)C1CC[NH+](Cc2ccccc2OC(F)F)CC1,C24878202_decoy,CP3A4,Decoy,0 +CC[C@@H](NC(=O)CC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[NH+]1Cc1ccc(C)cc1,C35673913_decoy,CP3A4,Decoy,0 +COCC[NH+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccccc2C)c2ccccc2C)o1,C35745196_decoy,CP3A4,Decoy,0 +Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[NH+](CC1CC1)C[C@H](O)C(C)C,C35777162_decoy,CP3A4,Decoy,0 +CCC[C@H](O)C[NH+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1,C35777560_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)C(C)C,C35789358_decoy,CP3A4,Decoy,0 +CCCCCCNC(=O)c1ccc(C[NH+]2CCn3cccc3[C@@H]2c2ccc(F)cc2F)o1,C35846230_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)c1coc(C[NH+](Cc2ccc(F)cc2)Cc2ccccc2F)n1)c1ccccc1,C36068671_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)c1coc(C[NH+](Cc2cccc(F)c2)[C@@H](C)c2ccccc2)n1)c1ccccc1,C36073499_decoy,CP3A4,Decoy,0 +Cc1ccccc1OC[C@@H](O)C[NH+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2C)=NO1,C36145920_decoy,CP3A4,Decoy,0 +Cc1ccc(C2=NO[C@H](C[NH+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccccc3)C2)cc1,C36146048_decoy,CP3A4,Decoy,0 +O[C@H](COCc1ccccc1)C[NH+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1,C36146405_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)CC,C36304182_decoy,CP3A4,Decoy,0 +C=CCC[C@@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C,C36306780_decoy,CP3A4,Decoy,0 +C=CCC[C@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C,C36306782_decoy,CP3A4,Decoy,0 +CC[C@H](C)C[NH+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O,C36309418_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)[NH+]2CCCCC2)cc1,C32969138_decoy,CP3A4,Decoy,0 +CCc1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1,C38546532_decoy,CP3A4,Decoy,0 +COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1,C38621771_decoy,CP3A4,Decoy,0 +CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1,C38670499_decoy,CP3A4,Decoy,0 +COc1ccc(C2=C(C)N=[NH+][C@@H]2c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1OC,C38676277_decoy,CP3A4,Decoy,0 +COc1ccccc1OC1=CN=[NH+][C@@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1O,C38766322_decoy,CP3A4,Decoy,0 +COc1cccc(OC2=CN=[NH+][C@@H]2c2ccc(OCc3c(F)cccc3Cl)cc2O)c1,C38776591_decoy,CP3A4,Decoy,0 +CC[C@H](NC(=O)C1CCCC1)[C@H]1c2cc(OC)c(OC)cc2CC[NH+]1Cc1ccc(F)cc1,C40400346_decoy,CP3A4,Decoy,0 +CC[NH+](CC)[C@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccc(Cl)cc1,C41021091_decoy,CP3A4,Decoy,0 +C=CC[NH+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O,C36309261_decoy,CP3A4,Decoy,0 +Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH+](CC(C)C)C[C@H](O)Cc1ccccc1,C36346219_decoy,CP3A4,Decoy,0 +C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1,C46550220_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](CNc2nc(C)nc3sc(C)c(-c4ccc(F)cc4)c23)[NH+](C)C)cc1,C62048924_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)C1=c2ccccc2=[NH+]C1,C39946290_decoy,CP3A4,Decoy,0 +O=C(COC(=O)CCCC1=c2ccccc2=[NH+]C1)Nc1ccccc1Sc1ccccc1,C63258952_decoy,CP3A4,Decoy,0 +C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)COc1ccc2c(c1)OC[C@H](c1ccccc1)C2=O,C63270690_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=S)N(CCC2=c3ccccc3=[NH+][C@H]2C)Cc2ccco2)cc1,C63479181_decoy,CP3A4,Decoy,0 +COc1ccc(NC(=S)N(CCC2=c3cc(C)ccc3=[NH+][C@@H]2C)Cc2ccco2)cc1,C63479194_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCN(Cc1ccco1)C(=S)Nc1cc(C)ccc1C)[C@@H](C)[NH+]=2,C63479212_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCN(Cc1ccccn1)C(=S)NCCc1ccccc1)[C@@H](C)[NH+]=2,C63659234_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=C(CCN(Cc1ccccn1)C(=S)Nc1cccc(C)c1C)[C@@H](C)[NH+]=2,C63659249_decoy,CP3A4,Decoy,0 +CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,C00626494_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1Br,C08901202_decoy,CP3A4,Decoy,0 +CC(C)Oc1cccc(C(=O)[C@@H]2CCC[NH+](Cc3ccc(C#CC(C)(C)O)s3)C2)c1,C12076088_decoy,CP3A4,Decoy,0 +O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2nc3ccccc3s2)CC1,C13163761_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc(Br)s1,C12651001_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1,C14255509_decoy,CP3A4,Decoy,0 +CCCCc1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1,C19793301_decoy,CP3A4,Decoy,0 +COc1cc(Cl)c(C)cc1NC(=S)N(CCC[NH+]1CCC[C@@H](C)C1)Cc1cccs1,C03665674_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1,C21351944_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@H](CNC(=O)c1ccc(I)cc1)[NH+]1CCCC1,C22679738_decoy,CP3A4,Decoy,0 +O[C@H](COc1ccc(Br)cc1Br)CN1CC[NH+](Cc2ccccc2)CC1,C22836306_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2Br)cc1F,C24072007_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(Br)c1,C24283690_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(Cl)cc1Br)NC[C@@H](c1cccs1)[NH+]1CCCC1,C27603369_decoy,CP3A4,Decoy,0 +C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cc2csc(-c3ccsc3)n2)cc1,C31078391_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+](C)C)cc1,C30020035_decoy,CP3A4,Decoy,0 +CCCCNC(=O)c1csc(C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1,C34799751_decoy,CP3A4,Decoy,0 +Cc1ccccc1C1=NO[C@H](C[NH+](Cc2ccc(F)cc2F)C[C@H](O)Cc2ccccc2)C1,C36145814_decoy,CP3A4,Decoy,0 +C=CCC[C@H](O)C[NH+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1,C36146754_decoy,CP3A4,Decoy,0 +CC(C)[NH+](Cc1ccco1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1,C36154586_decoy,CP3A4,Decoy,0 +COCC[NH+](Cc1ccsc1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1,C36202700_decoy,CP3A4,Decoy,0 +OC(c1ccccc1)(c1ccccc1)c1ccc(C[NH+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1,C36202992_decoy,CP3A4,Decoy,0 +CC(C)[n+]1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1Nc1ccccc1,C36377876_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](CCC(C)C)Cc2ccc(C(=O)NCc3ccccc3F)o2)s1,C34670202_decoy,CP3A4,Decoy,0 +C[NH2+]Cc1cc(Br)c(OCc2ccc(Br)s2)c(OC)c1,C37711862_decoy,CP3A4,Decoy,0 +C[NH+](Cc1ccc(Br)cc1)C[C@H](O)COc1cccc(Br)c1,C02651477_decoy,CP3A4,Decoy,0 +CN1CCc2cc([C@H](CNC(=O)Cc3cccc4ccccc34)[NH+]3CCCCC3)ccc21,C38671416_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc(C(F)(F)F)c1,C38673790_decoy,CP3A4,Decoy,0 +CCC[C@]12CN3CC[C@](CC)(C[NH+](C1)[C@@H]3c1cc(Br)ccc1OCC)[C@@H]2O,C39951189_decoy,CP3A4,Decoy,0 +CC(C)[NH+](Cc1cccc(F)c1)Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)o1,C40260276_decoy,CP3A4,Decoy,0 +O[C@@H](COc1ccc(Br)cc1)C[NH+](Cc1ccc(F)cc1)Cc1ccco1,C40316748_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2ccco2)C[C@@H](O)COc2ccccc2Br)cc1,C40317046_decoy,CP3A4,Decoy,0 +Cc1nc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c(-c2ccccc2)s1,C40327139_decoy,CP3A4,Decoy,0 +COc1ccc(CC[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1OC,C40722876_decoy,CP3A4,Decoy,0 +CC(C)OCCC[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C,C40730078_decoy,CP3A4,Decoy,0 +CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Br)c1,C44874937_decoy,CP3A4,Decoy,0 +CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1,C44879744_decoy,CP3A4,Decoy,0 +O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1(c2ccc(Br)cc2)CCC1,C32762670_decoy,CP3A4,Decoy,0 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+C[NH+]1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1,C34758002_decoy,CP3A4,Decoy,0 +O=C(CC[NH+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,C34830043_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCc2sccc2[C@@H]1c1ccccc1,C34830137_decoy,CP3A4,Decoy,0 +Cc1cccc(S(=O)(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1,C35919967_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2c(SCC(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)nc3ccccc3c2=O)nc1,C36007523_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CCCC)c2N2CC[NH+](CC)CC2)SC1=S,C33812654_decoy,CP3A4,Decoy,0 +COc1ccc(C2=N[NH+]=C(N3CCN(C(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)SC2)cc1,C38553049_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2cc3c(cc2=C[C@H]1CN(CCc1ccccc1)S(=O)(=O)c1ccccc1Cl)OCCO3,C39324825_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2C=c3cc4c(cc3=[NH+]C2=O)OCCO4)cc1Cl,C39325326_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)=C[C@H](CN(CCc1ccccc1C)S(=O)(=O)c1ccc3c(c1)OCCO3)C(=O)[NH+]=2,C39325425_decoy,CP3A4,Decoy,0 +Cc1cccc2c1=[NH+]C(=O)[C@H]([C@H](c1nnnn1Cc1ccccc1)N(Cc1ccccc1)Cc1cccnc1)C=2,C39710911_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1,C40427274_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1,C40561057_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1nc(C)c(C[NH+](C)Cn2nc(COc3ccccc3Cl)n(C)c2=S)c1C,C62564187_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N23)c1OC,C63138257_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCc4ccc(F)cc4)CC(=O)N23)cc1OC,C63138450_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@@H]3N=C4C=CC=C[C@H]4[C@@H]3C[C@H]3C(=O)N(CCC4=c5ccccc5=[NH+]C4)CC(=O)N23)cc1,C63139105_decoy,CP3A4,Decoy,0 +COc1ccc(CN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1,C63139284_decoy,CP3A4,Decoy,0 +COc1ccc(CN2CC(=O)N3[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63139290_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(C4CCCCC4)CC(=O)N32)cc(OC)c1OC,C63139725_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2CC(=O)N3[C@H](CCc4ccccc4)[C@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1OC,C63140074_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(Cc3ccc(OC)c(OC)c3)CC(=O)N21,C63140452_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)ccc1OC(C)C,C63141029_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@H]4[C@@H]3c3ccccc3OC)C2=O)cc1OC,C63141649_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCc1ccc(Cl)cc1,C63141819_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccc(OC)cc4)CC(=O)N32)cc1OC,C63142092_decoy,CP3A4,Decoy,0 +CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCCOC(C)C)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12,C63372342_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCCC3=c4ccccc4=[NH+]C3)CC2)c(C)c1,C63814609_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2CC(=O)N3[C@H](CC4=c5ccccc5=[NH+][C@H]4[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1,C64348631_decoy,CP3A4,Decoy,0 +COc1ccc2cc(C3=N/C(=C/c4ccc(Cl)cc4)C(=O)O3)sc(=O)c2c1OC,C01454362_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)cc1,C00855107_decoy,CP3A4,Decoy,0 +CCCCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1)N(C(C)=O)c1ccccc1-2,C02094940_decoy,CP3A4,Decoy,0 +Cc1sc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)n(C(C)C)c(=O)c2c1C,C08772662_decoy,CP3A4,Decoy,0 +N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1,C01389524_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)Oc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1,C08855444_decoy,CP3A4,Decoy,0 +Cc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3ccc4c(c3)OCCO4)sc2c1,C09149372_decoy,CP3A4,Decoy,0 +C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S,C09186616_decoy,CP3A4,Decoy,0 +O=c1cc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)nc2sccn12,C09284441_decoy,CP3A4,Decoy,0 +O=c1/c(=C\c2ccccc2OS(=O)(=O)c2ccccc2)sc2nc3ccccc3n12,C08984177_decoy,CP3A4,Decoy,0 +CCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2c(Cl)ccc(OC)c21,C09325938_decoy,CP3A4,Decoy,0 +Cc1nc(OCC(=O)N(c2ccccc2)c2ccccc2)c(C#N)c2c1COC(C)(C)C2,C12324153_decoy,CP3A4,Decoy,0 +O=C(CSc1nnnn1-c1ccccc1F)N1c2ccccc2CCc2ccccc21,C01340435_decoy,CP3A4,Decoy,0 +CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N3C2)c1,C09409328_decoy,CP3A4,Decoy,0 +C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,C02273942_decoy,CP3A4,Decoy,0 +CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccco1,C01160166_decoy,CP3A4,Decoy,0 +Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCC3,C16382054_decoy,CP3A4,Decoy,0 +O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2ccc(Br)cc2)no1,C16845628_decoy,CP3A4,Decoy,0 +COc1cc([C@@H]2CC(C)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc(OC)c1OC,C17094632_decoy,CP3A4,Decoy,0 +Cc1cccc(N2CCN([C@H](c3ccccc3F)c3nnnn3C3CCCC3)CC2)c1C,C13503945_decoy,CP3A4,Decoy,0 +Cn1c(SCc2cc(=O)n3ccccc3n2)nc2cc(-c3ccccc3)sc2c1=O,C23127069_decoy,CP3A4,Decoy,0 +COc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1OC,C27028916_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)c1C,C33169421_decoy,CP3A4,Decoy,0 +COc1cc(/C=C(/C#N)c2ccc(I)cc2)c([N+](=O)[O-])cc1OC,C33390550_decoy,CP3A4,Decoy,0 +C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1,C20882569_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C,C20882572_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)cc2)nc1,C36338756_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1,C36739800_decoy,CP3A4,Decoy,0 +COCCn1/c(=N\C(=O)c2cc(C)n(C(C)C)n2)sc2cc(Br)ccc21,C38508124_decoy,CP3A4,Decoy,0 +CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O,C38604667_decoy,CP3A4,Decoy,0 +O=C(C1=CN(c2ccc(Oc3ccccc3)cc2)c2ccccc2S1(=O)=O)N1CCCC1,C38655237_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(SCc2noc(-c3ccsc3)n2)nc2ccccc2c1=O,C39554289_decoy,CP3A4,Decoy,0 +CCCc1nnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)s1,C39838661_decoy,CP3A4,Decoy,0 +CCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@]12C(=O)N(CC)c1ccccc12,C39890649_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CC=C,C39890786_decoy,CP3A4,Decoy,0 +Cc1csc2nc(CSc3nnc(-c4csc5ccccc45)n3C)cc(=O)n12,C39968350_decoy,CP3A4,Decoy,0 +O=C1/C(=C/c2ccc(OC(=O)[C@@H]3COc4ccccc4O3)cc2)Oc2ccc(Cl)cc21,C40129230_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1C)O/C(=C/c1ccc(OC(=O)[C@@H]3COc4ccccc4O3)cc1)C2=O,C40129349_decoy,CP3A4,Decoy,0 +CN(C(=O)C1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1)C1CCCCC1,C40901779_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2ccccc2C)C3)cc1C,C56913325_decoy,CP3A4,Decoy,0 +O=c1c(Oc2ccccc2Br)coc2c3c(ccc12)OCN(C[C@H]1CCCO1)C3,C13719560_decoy,CP3A4,Decoy,0 +Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3sccc32)c1,C57491251_decoy,CP3A4,Decoy,0 +Cc1nc(-c2ccc(OS(=O)(=O)c3ccc(Br)cc3Cl)cc2)no1,C25875091_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,C58645941_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2CCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)cc1,C32357595_decoy,CP3A4,Decoy,0 +COc1c(Cl)cc(Cl)cc1[C@@H](c1nnnn1-c1ccc(C)cc1)N1CCCCC1,C13575257_decoy,CP3A4,Decoy,0 +O=C(c1cc2c(s1)CCC2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1,C20934901_decoy,CP3A4,Decoy,0 +CCC1=CO[C@](CC)([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)CC1,C13511956_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C2\Oc3cc(OCc4cc(Cl)cc5c4OCOC5)ccc3C2=O)o1,C41507930_decoy,CP3A4,Decoy,0 +Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nc2ccsc2c1=O,C64438844_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1,C04231324_decoy,CP3A4,Decoy,0 +Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3F)cc2c1,C04231354_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1nc2ccccc2s1,C07690092_decoy,CP3A4,Decoy,0 +CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(C)c1C,C08705860_decoy,CP3A4,Decoy,0 +Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1,C09135500_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(NC(=O)[C@H](C)[NH+](C)CC(=O)Nc2ccccc2Br)cc1,C03324715_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)[NH+]2CCCC2)cc1,C10020176_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1,C11718672_decoy,CP3A4,Decoy,0 +Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1F)[NH+]1CCc2ccccc2C1,C11898416_decoy,CP3A4,Decoy,0 +Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)[NH+]1CCc2ccccc2C1,C11898427_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCc3ccccc3C2)cc1,C11898448_decoy,CP3A4,Decoy,0 +Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCc3ccccc3C2)c1C,C11898477_decoy,CP3A4,Decoy,0 +C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1,C12455940_decoy,CP3A4,Decoy,0 +CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC(C)(C)[NH2+]1,C12755657_decoy,CP3A4,Decoy,0 +CS(=O)(=O)Nc1ccc2c(c1)[C@H](O)CC1(CC[NH+]([C@H]3CCc4cc(C#N)ccc4C3)CC1)O2,C13489963_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)C1,C14528657_decoy,CP3A4,Decoy,0 +CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O,C08994218_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1CO,C19574865_decoy,CP3A4,Decoy,0 +O=c1nc(C[NH+]2CCN(c3ccc(O)cc3)CC2)[nH]c2scc(-c3ccccc3)c12,C21131076_decoy,CP3A4,Decoy,0 +CC[NH+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)Cc1ccc(Cl)s1,C27359704_decoy,CP3A4,Decoy,0 +O[C@H](CN1CCN(c2ccccc2)CC1)Cn1nc(-c2ccccc2)c2c1CC[NH2+]C2,C28458769_decoy,CP3A4,Decoy,0 +C[NH+]1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Nc4ccccc4)c(=O)n2C3)CC1,C20503674_decoy,CP3A4,Decoy,0 +Cc1cc2oc(=O)cc(C[NH+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)c2cc1Cl,C32542342_decoy,CP3A4,Decoy,0 +Cc1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]/c2=N\C(=O)C[NH2+]C[C@H]2CCCO2)cc1,C36039468_decoy,CP3A4,Decoy,0 +Cc1ccc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C,C20109180_decoy,CP3A4,Decoy,0 +C[C@@H]([C@H]1NN[C@H](SCC(=O)[C@@H]2C=CC=N2)N1c1ccc(F)cc1)[NH+]1CCCCC1,C39425490_decoy,CP3A4,Decoy,0 +CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,C39601412_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2,C39637436_decoy,CP3A4,Decoy,0 +CC[C@H](COC)NC(=O)[C@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C39637898_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc2c(c1)CCO2)[C@H]1CN(C(=O)[C@H]2CC=CCC2)CC12CC[NH2+]CC2,C39668327_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc2c(c1)CCO2)[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CC12CC[NH2+]CC2,C39668329_decoy,CP3A4,Decoy,0 +CCC[C@@H](C)C(=O)N1C[C@@H](C(=O)NC[C@H]2OCCc3ccccc32)C2(CC[NH2+]CC2)C1,C39668870_decoy,CP3A4,Decoy,0 +CCC(CC)C(=O)N1C[C@@H](C(=O)NC[C@@H]2OCCc3ccccc32)C2(CC[NH2+]CC2)C1,C39669019_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(CCNC(=O)[C@@H]2CN(C(=O)c3cccn3C)CC23CC[NH2+]CC3)c1,C39676988_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)c1ccccc1,C39947162_decoy,CP3A4,Decoy,0 +C=CCNC(=O)[C@H]1C2=C(CCCC2)S[C@@H]1NC(=O)/C(C#N)=C/C1=c2ccccc2=[NH+]C1,C39992251_decoy,CP3A4,Decoy,0 +COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@@H]1C[NH2+]CCO1,C43709569_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)c1,C04330767_decoy,CP3A4,Decoy,0 +Nc1nc(N2CCCc3ccccc32)nc(CN2CCN(c3ccccc3F)CC2)[nH+]1,C19891058_decoy,CP3A4,Decoy,0 +O=c1[nH]c2c(cc1C[NH2+]C[C@@H]1CCCO1)c(-c1ccc(F)cc1)nn2-c1ccccc1,C26440837_decoy,CP3A4,Decoy,0 +C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,C29933525_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)c1ccc2c(c1)S[C@@H](n1cccc1)N2,C63279749_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O,C63384278_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2[C@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccccc1,C63472817_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O,C63479611_decoy,CP3A4,Decoy,0 +CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[C@H]1C(=O)N=C([O-])N(c2cccc3ccccc23)[C@H]1O,C63479770_decoy,CP3A4,Decoy,0 +C[C@H]1c2ccc(O)cc2OC(=O)[C@H]1CCC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,C63490810_decoy,CP3A4,Decoy,0 +Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cc(C(C)C)nc(N)n2)n1,C64053238_decoy,CP3A4,Decoy,0 +Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NCC[NH+]=C2NCc1cccc(F)c1,C65074746_decoy,CP3A4,Decoy,0 +COC(=O)[C@H](C)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(Br)cc1F,C20716368_decoy,CP3A4,Decoy,0 +Cc1c([C@@H](O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C,C02159905_decoy,CP3A4,Decoy,0 +CNC(=O)COC(=O)c1ccccc1I,C03320830_decoy,CP3A4,Decoy,0 +CC(C)NC(=O)c1ccc(C[S@+]([O-])c2ccccc2Cl)o1,C06895461_decoy,CP3A4,Decoy,0 +Cc1cc(/C=C/C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1C1CC1,C07312734_decoy,CP3A4,Decoy,0 +Cc1cc(F)ccc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1,C07922252_decoy,CP3A4,Decoy,0 +O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1C[C@H]1CCCO1,C02320989_decoy,CP3A4,Decoy,0 +O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccsc1,C08937272_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@H]1Nc2c(C(=O)N(C)C)cccc2[C@H]2C=CC[C@H]21,C14546206_decoy,CP3A4,Decoy,0 +Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1ccsc1,C15816431_decoy,CP3A4,Decoy,0 +O=S(=O)(/N=C1/NC[C@@H](CBr)S1)c1ccccc1,C06352516_decoy,CP3A4,Decoy,0 +C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)n1cc(Br)cn1,C28224614_decoy,CP3A4,Decoy,0 +Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCSc2ccccc21,C31792891_decoy,CP3A4,Decoy,0 +O=C1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1,C36880210_decoy,CP3A4,Decoy,0 +CS(=O)(=O)c1ccc(N[C@@H]2CSCc3ccccc32)cn1,C37273166_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@H]1CCCO1)c1ccc(F)cc1Br,C37574977_decoy,CP3A4,Decoy,0 +Cc1ccc(C#CCO)cc1S(=O)(=O)N(C)[C@@H]1CCSC1,C37578428_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCSC2)c(C#CCO)c1,C37578431_decoy,CP3A4,Decoy,0 +O=C(CBr)Nc1c2c(nn1-c1ccccc1)CSC2,C04223291_decoy,CP3A4,Decoy,0 +CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)cn1C,C37996691_decoy,CP3A4,Decoy,0 +CCn1cc(Br)cc1C(=O)NCc1nc(C)cs1,C38091692_decoy,CP3A4,Decoy,0 +N#C/C(=C/c1cc(Br)cs1)C(=O)NC[C@@H]1CCCO1,C13124936_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(C)[nH]c2c(C)cc(Br)cc2c1=O,C39989013_decoy,CP3A4,Decoy,0 +COC1CC[NH+]([C@@](C)(C(=O)[O-])c2cccc(Br)c2)CC1,C41875231_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccccc1NC1CC[S+]([O-])CC1)C(F)F,C42337153_decoy,CP3A4,Decoy,0 +O=S(=O)(NC[C@H]1CCCO1)c1sccc1Br,C42350725_decoy,CP3A4,Decoy,0 +Cc1ncc(CNS(=O)(=O)c2ccc(Br)s2)s1,C42405688_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc2c(c1)CCN2)N(CC(F)(F)F)C1CC1,C42782451_decoy,CP3A4,Decoy,0 +CS(=O)(=O)CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1,C44977682_decoy,CP3A4,Decoy,0 +O=C(CN1CCCC1=O)NCc1cc(Br)cs1,C46256234_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ccccc1)c1ccccc1,C48548621_decoy,CP3A4,Decoy,0 +O=S(=O)(c1sccc1Br)N(CCO)C1CC1,C49060936_decoy,CP3A4,Decoy,0 +C[C@@]1(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1(Cl)Cl,C49497318_decoy,CP3A4,Decoy,0 +C[C@@H](CC#N)NS(=O)(=O)c1ccc(F)cc1Br,C50336694_decoy,CP3A4,Decoy,0 +O=S1(=O)N=C(NCc2ccc(F)c(Cl)c2)c2ccccc21,C53158887_decoy,CP3A4,Decoy,0 +CC[C@@H](CC#N)NS(=O)(=O)c1sccc1Br,C54178634_decoy,CP3A4,Decoy,0 +C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccn(C)c(=O)c1,C58268400_decoy,CP3A4,Decoy,0 +COc1ccc([C@H](O)c2ccc(Br)cn2)cc1OC,C61864383_decoy,CP3A4,Decoy,0 +O=C(Nc1nnc(CCBr)s1)c1ccc(F)cc1,C36238352_decoy,CP3A4,Decoy,0 +CCc1cccc(C)c1NC(=O)c1cccc(S(C)(=O)=O)c1,C03548589_decoy,CP3A4,Decoy,0 +C[C@@H]1N=C(c2ccc(CCNC(=O)C3=NC=CC3)s2)CS1,C64002922_decoy,CP3A4,Decoy,0 +C[C@H](CNC(=O)c1ccc(Br)s1)N1CCOCC1,C46269560_decoy,CP3A4,Decoy,0 +O[C@H](CN1CCN(c2ccccc2F)CC1)C1=C[C@@H]2N=CC=C2C=C1,C64538037_decoy,CP3A4,Decoy,0 +OC1CCC(c2nc(C3CC3)nn2-c2ccc(Cl)cc2)CC1,C65532815_decoy,CP3A4,Decoy,0 +COc1ccc(CN2C(=O)[C@@H](C)NC2=S)cc1Br,C65590517_decoy,CP3A4,Decoy,0 +CN(CCc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2,C55368920_decoy,CP3A4,Decoy,0 +COc1c(Cl)cccc1NC(=O)c1ccc([S@+](C)[O-])cc1,C56286829_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[C@H]1C=CCC1,C66438360_decoy,CP3A4,Decoy,0 +Cc1ccc(F)c2c1N(C(=O)CCNC(=O)c1ccsc1)CCC2,C66786868_decoy,CP3A4,Decoy,0 +Cc1ncc(C(=O)Nc2sc(C)c(C)c2C(=O)C2CC2)s1,C66802639_decoy,CP3A4,Decoy,0 +O=C(CN1CCO[C@H](c2ccccc2F)C1)NCC(F)(F)F,C66847333_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C,C06250970_decoy,CP3A4,Decoy,0 +Cc1cc(O)c2c(C)c(CC(=O)N3CCCC4=C[C@@H]5C[C@@H](C[NH+]6CCCC[C@H]56)[C@@H]43)c(=O)oc2c1,C08764810_decoy,CP3A4,Decoy,0 +O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccco2)[NH+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12,C09356622_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@H](C)C[NH+](Cc2c(O)ccc3c2O/C(=C\c2cc4cc(Br)ccc4o2)C3=O)C1,C09420766_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1,C12376735_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@H](c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2cccs2)CC1,C15859388_decoy,CP3A4,Decoy,0 +Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)C[NH+](C)C4CCCCC4)c3C#N)C(C)(C)C2)o1,C15912862_decoy,CP3A4,Decoy,0 +CN1CC[NH+](C2=C(NC34CC5CC(CC(C5)C3)C4)N(c3ccccc3Cl)C(=S)C23CCCCC3)CC1,C19831842_decoy,CP3A4,Decoy,0 +O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=[NH+]\c1ccc(Br)cc1,C20616544_decoy,CP3A4,Decoy,0 +CCc1c(C)sc2c1CC[NH+](CC(=O)Nc1ccc(Br)cc1F)[C@@H]2c1ccccc1,C21045546_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCc2sccc2[C@@H]1c1cccs1)Nc1cc2c(cc1Br)OCCO2,C22064254_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C22919990_decoy,CP3A4,Decoy,0 +Cc1cc[nH+]c(N2CCN(CC[C@H]3Cn4c(-c5cc(C)c(O)c(C)c5)c(C)c5cccc(c54)O3)CC2)c1,C26401823_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc4[nH+]c(N5CCOCC5)cc(C)c4c3)CC2)c1,C15961152_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC(SC)=NC2=[NH+]3)cc1,C09486953_decoy,CP3A4,Decoy,0 +CSC1=NC2=[NH+]C3=C([C@H](c4cccc(F)c4)Oc4ccc(C)cc43)[C@H](c3ccc(C)cc3)N2N1,C09345421_decoy,CP3A4,Decoy,0 +CSC1=NC2=[NH+]C3=C([C@H](c4cccc(Cl)c4)Oc4ccccc43)[C@H](c3ccc(C)cc3)N2N1,C02398785_decoy,CP3A4,Decoy,0 +CSC1=NC2=[NH+]C3=C([C@@H](c4ccccc4F)Oc4ccccc43)[C@@H](c3ccc(F)cc3)N2N1,C02257810_decoy,CP3A4,Decoy,0 +C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(=O)cc21,C38545691_decoy,CP3A4,Decoy,0 +O=C(Nc1cccc2c1C(=O)c1cccc3c1=C2[C@H](C(=O)c1ccccc1)C(=O)[NH+]=3)c1ccccc1,C08870635_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/N2C(=S)N=[NH+][C@H]2c2ccc(Cl)cc2Cl)cc(Br)c1O,C38926377_decoy,CP3A4,Decoy,0 +COc1cc(/C=N/N2C(=S)N=[NH+][C@@H]2c2ccccc2Br)cc(Br)c1O,C38989468_decoy,CP3A4,Decoy,0 +O=C(/N=C1/N=[NH+][C@H](c2ccccc2I)S1)Nc1ccc(Cl)cc1,C39037796_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCC2(CC1)CC(=O)c1c(ccc3ccccc13)O2)Nc1ccc(Oc2ccccc2)cc1,C39226970_decoy,CP3A4,Decoy,0 +Cc1ccc(N2[C@@H](S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)N=[NH+][C@H]2c2ccccc2)cc1C,C39431058_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccccc2=C[C@@H]1/C=N/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1,C39699764_decoy,CP3A4,Decoy,0 +C[C@@H]1C[C@@](O)(C#CCOc2c(Br)cc(Br)cc2Br)[C@H](C)C[NH+]1C,C39774298_decoy,CP3A4,Decoy,0 +C[NH+](CC(=O)Nc1cccc(I)c1)Cc1cc(Br)cs1,C48575281_decoy,CP3A4,Decoy,0 +O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1C[NH+]3C[C@H]1CCC[C@H]21)c1ccc(I)cc1,C59484638_decoy,CP3A4,Decoy,0 +CCOc1ccccc1-c1cc(O)c2cc/c(=[NH+]/C(=O)c3ccccc3Br)cc-2o1,C41287357_decoy,CP3A4,Decoy,0 +Cc1cccc(N2C(C3=c4ccccc4=[NH+]C3)=NN[C@H]2S[C@@H](C)C(=O)c2cc(C)ccc2C)c1,C39940152_decoy,CP3A4,Decoy,0 +Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCC4=c5cc(Cl)ccc5=[NH+]C4)c(C)c32)c1C,C63272823_decoy,CP3A4,Decoy,0 +Cc1c(Cl)cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)[C@@H]1C,C63318937_decoy,CP3A4,Decoy,0 +Cc1cccc(N[C@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2ccc(Br)cc2)c1C,C39980367_decoy,CP3A4,Decoy,0 +COc1ccc([C@H]2NCCC3=c4ccccc4=[NH+][C@H]32)cc1COc1ccc(Br)cc1,C63350181_decoy,CP3A4,Decoy,0 +COc1cc(OC)c(NC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(C)cc2)cc1Cl,C63571486_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2ccc(Br)cc2F)cc1,C63571525_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1,C63571995_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@H]3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2cc(C)ccc2C)cc1,C63572116_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1,C63572980_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@H]3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2ccc(C)cc2Cl)cc1,C63572986_decoy,CP3A4,Decoy,0 +O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1Nc1ccc(Br)cc1F)c1ccccc1,C38965262_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@H]2Nc2ccc(Br)cc2C)c1,C38966551_decoy,CP3A4,Decoy,0 +O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1Nc1ccccc1F)c1cc(Cl)ccc1Cl,C38971315_decoy,CP3A4,Decoy,0 +Cc1cccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2ccc(Br)cc2F)c1,C38976218_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1N[C@@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccccc1,C38979021_decoy,CP3A4,Decoy,0 +Cc1cccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2cccc(C(F)(F)F)c2)c1,C38980579_decoy,CP3A4,Decoy,0 +O=C(NC[C@H](C1=c2ccccc2=[NH+][C@@H]1c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1,C64143999_decoy,CP3A4,Decoy,0 +Fc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)c1,C64746104_decoy,CP3A4,Decoy,0 +O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=[NH+]\c1ccc(F)c(F)c1,C67292399_decoy,CP3A4,Decoy,0 +Cc1ccc(S(=O)(=O)c2nc(N3c4ccc(C)cc4[C@H]4C[NH+](C)CC[C@H]43)sc2Cl)cc1,C06199025_decoy,CP3A4,Decoy,0 +Cc1nc(-c2ccc(S(=O)(=O)N3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)s2)cs1,C04452542_decoy,CP3A4,Decoy,0 +COc1c(Cl)cc(Cl)cc1[C@H](c1nnnn1C(c1ccccc1)c1ccccc1)[NH+]1CCCC1,C06905755_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2nc(SCC(=O)c3ccc(Br)cc3)c(C#N)c(-c3ccsc3)c2C1,C08448431_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1ccccc1Br)c1nc2ccc(Br)cc2s1,C08768415_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2c(sc3nc(SCc4ccc(F)cc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1,C08769836_decoy,CP3A4,Decoy,0 +COc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CC[NH+]3[C@@H]2c2ccccc2)c2cccnc12,C08856171_decoy,CP3A4,Decoy,0 +FC(F)(F)c1c[nH+]c(N2CCN(c3ccc(-c4ncnn4-c4ccccc4)cc3)CC2)c(Cl)c1,C03064243_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[NH+]2[C@@H]3C(=O)c2ccc(Cl)cc2)c(C)c1,C09019383_decoy,CP3A4,Decoy,0 +C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[NH+](CCc1ccccc1)C3,C09113005_decoy,CP3A4,Decoy,0 +COCC[NH+]1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)CC1,C09515666_decoy,CP3A4,Decoy,0 +C[C@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N1CCc2ccccc21,C09644376_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N2CCN(c3c(C(=O)c4ccccc4)c[nH+]c4cc5c(cc34)OCCO5)CC2)c1,C09969426_decoy,CP3A4,Decoy,0 +CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc4c(ccc5ccccc54)oc3=O)sc2c1,C10065720_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2c(F)cc(F)cc2s1,C10066358_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc3c(cc2s1)OCCO3,C10066911_decoy,CP3A4,Decoy,0 +O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@H](c1ccco1)[NH+]1CCCC1,C11913776_decoy,CP3A4,Decoy,0 +C[NH+]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)c2C1,C03244482_decoy,CP3A4,Decoy,0 +C[C@@H](c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)[NH+](C)C,C12590341_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(=O)c2ccccc2n2c(=S)n(C[NH+]3CCC[C@@H]3c3cccs3)nc12,C13070100_decoy,CP3A4,Decoy,0 +Cc1ccccc1-n1c(=O)c2ccccc2n2c(=S)n(C[NH+]3CCC[C@H]3c3cccs3)nc12,C13070102_decoy,CP3A4,Decoy,0 +Cc1cc(C)cc(-n2c(=O)c3ccccc3n3c(=S)n(C[NH+]4CCC[C@@H]5CCCC[C@@H]54)nc23)c1,C13097672_decoy,CP3A4,Decoy,0 +Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[NH+]2[C@@H]3C(=O)c2ccc(Cl)cc2Cl)cc1,C09108717_decoy,CP3A4,Decoy,0 +N#CC1(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2C=Cc3ccccc3[C@@H]21,C16034302_decoy,CP3A4,Decoy,0 +CC(=O)N(c1nc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cs1)c1c(C)cc(C)cc1C,C24978403_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1N1CC[NH+](C)CC1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2,C28522553_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2Cc3cc4cc(C)c(C)cc4nc3S/C2=[NH+]\C[C@@H]2CCCO2)cc1OC,C13562187_decoy,CP3A4,Decoy,0 +O=C(C[NH+]1CCN(c2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)CC1)N1CC1,C34756248_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)C(C)(C)CCl)[C@H](C)C1,C34829820_decoy,CP3A4,Decoy,0 +O=C1CN=C(c2ccc(Br)cc2)c2c(sc3c2CCCC3)N1CC[NH+]1CCCCC1,C12833986_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2C=CC=CC2=NC(=S)N1CC[NH+]1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C04475146_decoy,CP3A4,Decoy,0 +Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(Br)c1)N(CC[NH+](C)C)C3=O,C38714436_decoy,CP3A4,Decoy,0 +C=CCN1[C@@H](S[C@H]2C(=O)[NH+]=c3cc(Cl)ccc3=C2c2ccccc2)N=N[C@H]1c1cccnc1,C38904330_decoy,CP3A4,Decoy,0 +CC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccc(Br)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1F,C39359628_decoy,CP3A4,Decoy,0 +O=S(=O)(Oc1ccccc1)[C@H]1CC[C@@]2(C[C@@H](I)C[NH+]2Cc2ccccc2)C1,C39503196_decoy,CP3A4,Decoy,0 +O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1C1=NN(C(=O)c2ccco2)[C@@H](c2ccccc2F)C1,C39988955_decoy,CP3A4,Decoy,0 +CC(C)C(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1F,C40142052_decoy,CP3A4,Decoy,0 +CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1Cl,C40148079_decoy,CP3A4,Decoy,0 +CC(=O)C1=CC[C@H]2[C@H]3CC[C@@H]4C[C@@H](OC(=O)CC[NH+]5CCCC(C)(C)C5)CC[C@@]4(C)[C@H]3CC[C@@]12C,C43737476_decoy,CP3A4,Decoy,0 +C[C@H](c1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)n1-c1ccc(Cl)cc1)[NH+](C)C,C45540969_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(Cl)cc3)N2C(=O)CN1CCc1ccc(F)cc1,C63137141_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc4ccccc34)N2C(=O)CN1Cc1ccccc1F,C63138106_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](CCc3ccccc3)N2C(=O)CN1CCc1ccc(F)cc1,C63141361_decoy,CP3A4,Decoy,0 +Cc1cccc(-n2c(SCC(=O)C34CC5CC(CC(C5)C3)C4)nnc2C2=c3ccccc3=[NH+]C2)c1,C63240764_decoy,CP3A4,Decoy,0 +Cc1ccc(CN2CC(=O)N3C[C@@H](c4ccccc4Cl)C4=c5ccccc5=[NH+][C@@H]4[C@@]3(C)C2=O)cc1,C63362852_decoy,CP3A4,Decoy,0 +C[C@]12C(=O)N(Cc3ccccc3)CC(=O)N1C[C@@H](c1ccc(Br)cc1)C1=c3ccccc3=[NH+][C@H]12,C63374903_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2CN3C(=O)CN(CCc4cccc(F)c4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)cc1,C63374909_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc(CSc2nnc(C3=c4ccccc4=[NH+]C3)n2-c2ccc(Cl)cc2)cc1,C63896805_decoy,CP3A4,Decoy,0 +CCC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccc(C)cc3=C2c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1,C64128003_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@@H]1CC([C@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)=NN1C(C)=O,C64363743_decoy,CP3A4,Decoy,0 +O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1,C06195950_decoy,CP3A4,Decoy,0 +CC[NH+](Cc1ccccc1)[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)c1nnnn1C1CCCC1,C06193689_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1,C06198326_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1,C06198360_decoy,CP3A4,Decoy,0 +[H]/N=C1/[C@@H](C#N)C2=CC[NH+](C(C)C)C[C@H]2[C@H](c2ccc(OCCC)c(OCC)c2)C1(C#N)C#N,C08816822_decoy,CP3A4,Decoy,0 +COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(O)c2C[NH+]2C[C@H](C)C[C@H](C)C2)C1=O,C08990838_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCCCC3)C2=O)c(OC)c1OC,C02126845_decoy,CP3A4,Decoy,0 +COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCC[C@@H]3C)C2=O)c(OC)c1OC,C09332897_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1NC(=O)[C@@H](C)[NH+]1CCc3cc(OC)c(OC)cc3C1)oc1ccccc12,C03280235_decoy,CP3A4,Decoy,0 +CN1CCc2cc([C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[NH+]3CCCCC3)ccc21,C11613047_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(C[NH+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1C,C11871601_decoy,CP3A4,Decoy,0 +CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC[C@@H](C)C3)cc2c1,C12469791_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)[NH+](C)Cc3ccccc3)c(=O)[nH]c2c1,C06301619_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1,C06301743_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC[C@H](C)C3)c(=O)[nH]c2c1,C06301749_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1C1CCCC1)[NH+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1,C13063817_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnnn1C(C)(C)C)[NH+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,C13064781_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+](Cc2cc3cccc(C)c3[nH]c2=O)Cc2nnnn2C2CCCCC2)cc1,C13065491_decoy,CP3A4,Decoy,0 +CCOc1ccc(N2C(=O)N=C(O)[C@H](/C=[NH+]/[C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1,C13175671_decoy,CP3A4,Decoy,0 +CC[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1,C13494590_decoy,CP3A4,Decoy,0 +Cc1ccc2cc(C[NH+](C3CCCC3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1,C13498514_decoy,CP3A4,Decoy,0 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+C/C(=N\OC[C@@H]1Nc2ccccc2C(=O)N1/N=C/[C@@H]1C=c2ccccc2=[NH+]1)c1ccccc1,C39248303_decoy,CP3A4,Decoy,0 +CC[C@@H](SC1=N[C@@H]2[NH+]=c3ccccc3=C2N=N1)C(=O)Nc1nc(-c2ccccc2)cs1,C39960896_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2csc(NC(=O)CSC3=N[C@H]4[NH+]=c5ccccc5=C4N=N3)n2)cc1,C39964666_decoy,CP3A4,Decoy,0 +Cc1ccc(COc2ccccc2C2=NN=C(C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)C2)cc1,C39984900_decoy,CP3A4,Decoy,0 +Cc1cc(Br)ccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1,C46555896_decoy,CP3A4,Decoy,0 +COc1ccc(C2=Nc3[nH+]c(CCCO)nn3[C@@H](c3ccc(Cl)cc3Cl)C2)cc1OC,C38223339_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCn1/c(=N/C(=O)c2cc3c(nc4sccn43)s2)[nH]c2ccccc21,C57614957_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn(C[NH+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c(=S)[nH]2)cc1,C58162807_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(-c4ccc(C)cc4)o3)cc2)CC1,C18528641_decoy,CP3A4,Decoy,0 +CN(C)c1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1,C15707267_decoy,CP3A4,Decoy,0 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+CC1=[N+](CC(=O)c2ccc(Br)cc2)CCn2cccc21,C04866837_decoy,CP3A4,Decoy,0 +Cc1cc(C)c(NC(=O)C[N+]2(CC#Cc3ccccc3)CCCCC2)c(C)c1,C03194026_decoy,CP3A4,Decoy,0 +Cc1ccc(O)c[n+]1/C=C/C(=O)c1ccc(Br)cc1,C05380076_decoy,CP3A4,Decoy,0 +O[C@@]1(c2ccc(OC(F)F)cc2)CC(c2ccccc2)=[N+]2CCCCN21,C05736285_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(/C(=C/c2ccc(-c3ccccc3)o2)[n+]2ccccc2)o1,C06864595_decoy,CP3A4,Decoy,0 +Cc1cccc(C(C)C)c1NC(=O)C[n+]1ccc2ccccc2c1,C07715010_decoy,CP3A4,Decoy,0 +O=C(C[n+]1ccc2c(c1)CCCC2)Nc1ccccc1Oc1ccccc1,C07761844_decoy,CP3A4,Decoy,0 +C[C@H]1CC[n+]2ccn(C[C@@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c2C1,C13651211_decoy,CP3A4,Decoy,0 +C[C@@H]1CC[n+]2ccn(C[C@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c2C1,C13651212_decoy,CP3A4,Decoy,0 +C[C@H]1CCC[n+]2ccn(C[C@@H]3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c21,C13651215_decoy,CP3A4,Decoy,0 +O=C(c1ccccc1)[C@H](/C(S)=N/C[C@H]1CCCO1)[n+]1ccc2c(c1)CCCC2,C15246416_decoy,CP3A4,Decoy,0 +CCc1cccc[n+]1[C@H](C)C(=O)Nc1ccccc1OC(F)F,C15460786_decoy,CP3A4,Decoy,0 +Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1,C17041171_decoy,CP3A4,Decoy,0 +Cc1ccccc1N1C[C@](O)(c2ccc(Br)cc2)[N+]2=C1SCC2,C22405453_decoy,CP3A4,Decoy,0 +O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2,C22408807_decoy,CP3A4,Decoy,0 +C[C@H](NC(=O)C[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1,C24158326_decoy,CP3A4,Decoy,0 +Cc1cccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCC3)c1,C13799562_decoy,CP3A4,Decoy,0 +O[C@@]1(c2ccc(OC(F)F)cc2)C[N+]2=C(CCCCC2)N1c1ccccc1,C13765750_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(C(=S)[C@]2(c3ccccn3)CCCS2)CC1,C26731507_decoy,CP3A4,Decoy,0 +CC(C)N(C(=O)C[n+]1ccc2ccccc2c1)c1ccccc1,C29313351_decoy,CP3A4,Decoy,0 +O=C(Nc1ccccc1)c1ccc(C[n+]2ccc3c(c2)CCCC3)cc1,C29460166_decoy,CP3A4,Decoy,0 +CCc1ccccc1NC(=O)[C@@H](C)[n+]1ccc2c(c1)CCCC2,C29460438_decoy,CP3A4,Decoy,0 +CC[C@@H](CC=[N+]1CCOCC1)C1(O)c2ccccc2-c2ccccc21,C05336879_decoy,CP3A4,Decoy,0 +CC[C@H](CC=[N+]1CCOCC1)C1(O)c2ccccc2-c2ccccc21,C05337278_decoy,CP3A4,Decoy,0 +COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCC3)cc1,C32611742_decoy,CP3A4,Decoy,0 +CC(=O)Nc1ccc(-c2c[n+]3cc(I)ccc3n2C)cc1,C00631624_decoy,CP3A4,Decoy,0 +O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccccc2)C2=[N+]1CCCS2,C03251966_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCC3)c1,C02966291_decoy,CP3A4,Decoy,0 +Cc1ccccc1N1C[C@@](O)(c2ccccc2)[N+]2=C1SCCC2,C02966067_decoy,CP3A4,Decoy,0 +Cc1cccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1C,C02966253_decoy,CP3A4,Decoy,0 +Cc1ccccc1N1C[C@](O)(c2ccccc2)[N+]2=C1CCCCC2,C02974630_decoy,CP3A4,Decoy,0 +O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2,C04086878_decoy,CP3A4,Decoy,0 +COc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCC3)cc1,C15962078_decoy,CP3A4,Decoy,0 +O[C@@]1(c2cccs2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2,C15962250_decoy,CP3A4,Decoy,0 +Cc1ccc(C[N+](C)(C)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)c(C)c1,C04559696_decoy,CP3A4,Decoy,0 +CC(C)N(c1n[n+](C)c(/N=N\c2ccc(N(C)C)cc2)s1)C(C)C,C05138332_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H]2C[C@](C)(CN2C=[NH+]c2sc3c(c2C#N)CCCCC3)C1,C36108045_decoy,CP3A4,Decoy,0 +CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)[n+]1ccc2c(c1)CCCC2,C29460301_decoy,CP3A4,Decoy,0 +CSCc1nn(C[NH+](C)Cc2csc(C)n2)c(=S)o1,C49389555_decoy,CP3A4,Decoy,0 +O=C1OCC[C@@H]1N1CC[NH+](Cc2sccc2Br)CC1,C49480670_decoy,CP3A4,Decoy,0 +CC(C)c1ccccc1NC(=O)[C@@H](C)[n+]1ccc2c(c1)CCCC2,C15458491_decoy,CP3A4,Decoy,0 +CN(C)c1ccc2nc3ccc(=[N+](C)C)c([N+](=O)[O-])c-3sc2c1,C16890018_decoy,CP3A4,Decoy,0 +C/C(O)=N/c1cn2c([n+]1-c1ccc(Br)cc1)CCCCC2,C03174276_decoy,CP3A4,Decoy,0 +CCOC(=O)[C@H]1C[N+]2(CC(=O)c3ccc(Br)cc3)CCC1CC2,C59366890_decoy,CP3A4,Decoy,0 +O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[NH+](C2CC2)CC1,C61605310_decoy,CP3A4,Decoy,0 +CC1(C)CCCC2=C1C[C@@H]1C(=O)N(CCC[N+](C)(C)C)C(=O)[C@H]1C2,C00550242_decoy,CP3A4,Decoy,0 +Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1c(C)cccc1C)cn2C,C15746221_decoy,CP3A4,Decoy,0 +CCc1ccc(NC(=O)Cn2cc(-c3ccccc3)[n+]3c2CCC3)cc1,C13786716_decoy,CP3A4,Decoy,0 +O=C1C[C@H]([C@@H]2CCCCC2=[N+]2CCOCC2)C(=O)N1C1CCCCC1,C19881780_decoy,CP3A4,Decoy,0 +CCCC[NH+](CC#CC[C@H]1C[C@@H](COCCC)OC1=O)CCCC,C04132541_decoy,CP3A4,Decoy,0 +C=CCc1cccc2cc(C(=O)OCCC[NH+](CC)CC)c(=O)oc12,C01653209_decoy,CP3A4,Decoy,0 +CC[NH+](CC)CCn1c(/N=C/c2ccc(OC)c(OC)c2)nc2ccccc21,C04741741_decoy,CP3A4,Decoy,0 +COCC[NH+](Cc1ccccc1C#N)Cc1cccn1Cc1ccccc1C,C04873480_decoy,CP3A4,Decoy,0 +Cc1ccc(C(C)(C)C)c(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1,C02822622_decoy,CP3A4,Decoy,0 +C/C=C/c1ccc(OCCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1,C02825378_decoy,CP3A4,Decoy,0 +Cc1ccc(SCC(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)cc1,C05239550_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)C[C@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1,C01610463_decoy,CP3A4,Decoy,0 +CCCOc1cc(C)c(C(=O)OCCC[NH+]2CCC[C@@H]2C)c(C)c1,C01570849_decoy,CP3A4,Decoy,0 +C[C@H](c1nnc(SCCCCC#N)n1-c1ccc(F)cc1)[NH+]1CCCCC1,C08391908_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(C[NH+](CC)CC)n(C)c2cc(Br)c(OC)cc12,C00862843_decoy,CP3A4,Decoy,0 +CCCc1ccc(OCC[NH+]2CCCC[C@@H]2c2cccnc2)c(OC)c1,C08739200_decoy,CP3A4,Decoy,0 +CCCCN(C)C(=O)c1nc2ccccn2c1C[NH+](C)Cc1ccc(CC)cc1,C11663910_decoy,CP3A4,Decoy,0 +C=C(C)C[NH+](C)Cc1cnc(S(=O)(=O)CCCC(C)C)n1CCCC,C12201883_decoy,CP3A4,Decoy,0 +Cc1ccccc1CSc1nnc(C[NH+](C)CC(C)C)n1C[C@H]1CCCO1,C12283309_decoy,CP3A4,Decoy,0 +C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH+](CCC)CC1CC1)C2,C14745475_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCOc1ccc(CN(C(=O)[C@H]2CCOC(C)(C)C2)C2CC2)cc1,C14969451_decoy,CP3A4,Decoy,0 +CSc1nnc(C[NH+](C)CCC2=C(C)CCCC2(C)C)n1C[C@@H]1CCCO1,C14975855_decoy,CP3A4,Decoy,0 +CCOc1cc(C[NH+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F,C16419331_decoy,CP3A4,Decoy,0 +CCn1cc(CN(C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)c(C)n1,C14955411_decoy,CP3A4,Decoy,0 +COc1ccccc1CC[NH+]1CCC[C@H](CN(C)Cc2cnn(C(C)C)c2)C1,C20208509_decoy,CP3A4,Decoy,0 +CCOC(=O)Cn1cc(C[NH+]2CCC[C@H]2c2c(C)noc2CC)c2ccccc21,C21720765_decoy,CP3A4,Decoy,0 +CCc1[nH+]n(-c2ccccc2)c(N(C)C)c1CN(Cc1ccco1)C(=O)C(C)C,C35973365_decoy,CP3A4,Decoy,0 +CCOC(C/[NH+]=C/c1ccc(OC)c(OC)c1OCc1ccccc1)OCC,C37633902_decoy,CP3A4,Decoy,0 +CSc1ccc(-c2nc(C[NH+](CC3CCC3)C[C@@H]3CCCO3)c(C)o2)cc1,C15074434_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1,C47726359_decoy,CP3A4,Decoy,0 +COc1ccc(CCC(=O)OCc2c(C)[nH+]c3ccccn23)cc1OC,C49756151_decoy,CP3A4,Decoy,0 +CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](CC)C[C@@H]1CCOC1,C52071579_decoy,CP3A4,Decoy,0 +C[NH+](CCOc1ccccc1F)CCS(=O)(=O)Oc1ccccc1,C52815608_decoy,CP3A4,Decoy,0 +COc1ccc(-c2noc(C[NH+](CC(C)C)CC(C)C)n2)c(OC)c1,C52856175_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)CC1CC1,C52891291_decoy,CP3A4,Decoy,0 +CCc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)o1,C55307501_decoy,CP3A4,Decoy,0 +CC[NH+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)Cc1ccc(OC)c(OC)c1,C55504359_decoy,CP3A4,Decoy,0 +CCCCOCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1,C56267884_decoy,CP3A4,Decoy,0 +COc1cc(CCC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc(OC)c1,C25307388_decoy,CP3A4,Decoy,0 +CCCN(CCC)C(=O)C[NH+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1,C58773293_decoy,CP3A4,Decoy,0 +C=CC/[NH+]=C(\SCC)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1,C06952243_decoy,CP3A4,Decoy,0 +CC(C)CCOCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1,C59738766_decoy,CP3A4,Decoy,0 +CCCC[NH+](C)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1,C61757675_decoy,CP3A4,Decoy,0 +CCc1nc(C[NH+](C)CCCc2nc(-c3ccccc3)no2)cs1,C63593590_decoy,CP3A4,Decoy,0 +C=CCc1cc(C[NH+](C)C[C@H]2N=NC3=C2CCC3)cc(OC)c1OC(C)C,C63869036_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)C2=c3ccccc3=[NH+][C@@H]2C)cc1,C64050757_decoy,CP3A4,Decoy,0 +CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2cccc(C)c2[nH+]1,C45974073_decoy,CP3A4,Decoy,0 +CCC[NH+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1,C46032477_decoy,CP3A4,Decoy,0 +CCC[NH+](CCC)Cc1ccc(C(=O)N(C2CCOCC2)C2CC2)cc1,C65370215_decoy,CP3A4,Decoy,0 +CCOCCn1cnc(-c2ccccc2)c1-c1ccc(OC)c(C[NH+](C)C)c1,C65529586_decoy,CP3A4,Decoy,0 +CC[C@@H](c1nnc(SC[C@@H]2CCCCO2)n1-c1ccc(OC)cc1)[NH+](C)C,C66316868_decoy,CP3A4,Decoy,0 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+CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1,C12135418_decoy,CP3A4,Decoy,0 +C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(F)cc2s1,C12140794_decoy,CP3A4,Decoy,0 +COc1ccc(CC[NH+](C)Cn2nc(-c3ccncc3)n(-c3ccc(Cl)cc3)c2=S)cc1OC,C02616225_decoy,CP3A4,Decoy,0 +CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1C[NH+](C/C=C/c1ccc(N(C)C)cc1)CC2,C14530677_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)c2csc(C)n2)cc1,C14983816_decoy,CP3A4,Decoy,0 +O=C(C1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H](C(=O)c3ccc(Cl)cc3)[NH+]2C=C1)c1ccccc1,C09165697_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc2nn(C[NH+](C)C(c3ccccc3)c3ccccc3)c(=S)n2c1,C22419665_decoy,CP3A4,Decoy,0 +CCN1CC[NH+](C[C@@H](C)Cn2c(=O)c3c(nc4n(-c5ccc(C)cc5)c(C)c(C)n34)n(C)c2=O)CC1,C22820979_decoy,CP3A4,Decoy,0 +CCN1CC[NH+](C[C@@H](C)Cn2c(=O)c3c(nc4n(-c5ccc(C)c(C)c5)c(C)cn34)n(C)c2=O)CC1,C22821033_decoy,CP3A4,Decoy,0 +O=C([C@H]1COc2ccccc2O1)N1CC[NH+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1,C22837755_decoy,CP3A4,Decoy,0 +C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)CC1,C23849510_decoy,CP3A4,Decoy,0 +CCn1c(N2CC[NH+](CC)CC2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O,C33479163_decoy,CP3A4,Decoy,0 +Cc1ccc(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3CC(=O)N3CC3)CC(C)(C)OC5)CC2)c(C)c1,C34734889_decoy,CP3A4,Decoy,0 +CCC[NH+]1CCN(c2nc(SCC(=O)N3CCOCC3)nc3sc4c(c23)CC(C)(C)OC4)CC1,C34750214_decoy,CP3A4,Decoy,0 +CC(C)CSc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c2c3c(sc2n1)CCCC3,C34756198_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1,C34829823_decoy,CP3A4,Decoy,0 +C[C@H]1CN(S(=O)(=O)c2cccc(-c3csc(Nc4ccccc4)[n+]3-c3ccccc3)c2)C[C@H](C)O1,C35447786_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(N3CC[NH+](C)CC3)C2=O)cc1,C35518874_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCC(C)CC4)c3C2)cc1OC,C35836613_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(Nc4ccccc4)[n+]3Cc3ccccc3)c2)C[C@H](C)O1,C35843140_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccco2)C(=O)c2ccc(F)cc2)CC1,C36312097_decoy,CP3A4,Decoy,0 +CCCn1c(N2CC[NH+](CC)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O,C33812563_decoy,CP3A4,Decoy,0 +Cc1c(Cl)ccc2sc(N(CC[NH+](C)C)C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)nc12,C38827782_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)=[NH+]C(=O)[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C)C=2,C39325009_decoy,CP3A4,Decoy,0 +CC(C)S(=O)(=O)[C@H]1CC[C@]2(C1)[C@H](S(=O)(=O)Oc1ccccc1)CCC[NH+]2Cc1ccccc1,C39519857_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)C(C)(C)/C(=C/C=C/c1n(CCCOC(C)=O)c3ccc(Cl)cc3[n+]1C)N2C,C33579679_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCCOC(C)C)CC(=O)N23)cc1OC,C63138038_decoy,CP3A4,Decoy,0 +CC(C)OCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(Br)cc2)C1=O,C63138645_decoy,CP3A4,Decoy,0 +COC(=O)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N32)cc1,C63139719_decoy,CP3A4,Decoy,0 +CCOc1ccccc1[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCc3ccc(F)cc3)CC(=O)N12,C63140510_decoy,CP3A4,Decoy,0 +CC(C)OCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccc(Br)c2)C1=O,C63141513_decoy,CP3A4,Decoy,0 +COCCN1CC(=O)N2C[C@H](c3ccc(OC(C)C)c(OC)c3)C3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O,C63372592_decoy,CP3A4,Decoy,0 +O=C1C[C@@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1,C22916501_decoy,CP3A4,Decoy,0 +COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)C(C(=O)OC)=C1Nc2ccccc2N1,C03295023_decoy,CP3A4,Decoy,0 +CCCCOP(=O)(OCCCC)[C@]1(NS(=O)(=O)c2ccc(Cl)cc2)C=C(Cl)C(=O)c2ccccc21,C01875744_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2CC)sc(C(C)=O)c1C,C06135577_decoy,CP3A4,Decoy,0 +CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccccc3)cc2OC)cc1,C04302447_decoy,CP3A4,Decoy,0 +CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN(CC)c3cccc(C)c3)c2c1,C08811963_decoy,CP3A4,Decoy,0 +CCOc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1,C08922274_decoy,CP3A4,Decoy,0 +CCOc1cc(C(=O)NCCn2ncc3c(N4CCOCC4)nc(SC)nc32)cc(OCC)c1OCC,C08947191_decoy,CP3A4,Decoy,0 +CCOCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1,C09696423_decoy,CP3A4,Decoy,0 +O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OCCc1ccccc1)OC[C@H]1CCCO1,C10510185_decoy,CP3A4,Decoy,0 +CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1cccc(OC)c1OC,C13024018_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)c1,C12546707_decoy,CP3A4,Decoy,0 +O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCOc2ccccc2)cc1,C14039686_decoy,CP3A4,Decoy,0 +CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C,C14651091_decoy,CP3A4,Decoy,0 +CCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cc(Br)ccc1OC(C)C,C14769351_decoy,CP3A4,Decoy,0 +CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCCOCC)C(=O)NCC,C16463052_decoy,CP3A4,Decoy,0 +C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OCC,C20391975_decoy,CP3A4,Decoy,0 +CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc12,C23455325_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(OCC)c1,C25181883_decoy,CP3A4,Decoy,0 +CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccc(CC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O,C32944974_decoy,CP3A4,Decoy,0 +CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccc(CC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O,C32944976_decoy,CP3A4,Decoy,0 +CCOC(=O)c1[nH]c(C)c(C(=O)C2=C([O-])C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(OCC)cc2)c1C,C33515721_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OCC,C35420104_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C35420411_decoy,CP3A4,Decoy,0 +CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)COC(=O)CC(C)C,C35464393_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2CCC[NH+](C)C)cc1OCC,C35484083_decoy,CP3A4,Decoy,0 +CCCCCC(=O)N(C1CCCCC1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1,C36490351_decoy,CP3A4,Decoy,0 +CCCCCCN(C(=O)c1ccc(OC)cc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)c(OC)c1,C36512917_decoy,CP3A4,Decoy,0 +CCCCCCN(C(=O)c1ccc(O)cc1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C1CCCCC1,C36514212_decoy,CP3A4,Decoy,0 +CCCCCCN(C(=O)CO)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1c(Cl)cccc1Cl,C36517884_decoy,CP3A4,Decoy,0 +CCCC[C@@H](CC)C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(CC)CC,C36558118_decoy,CP3A4,Decoy,0 +CCCC[C@H](CC)C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1,C36564989_decoy,CP3A4,Decoy,0 +CCCC[C@H](CC)C(=O)N([C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1)C(C)(C)C,C36582846_decoy,CP3A4,Decoy,0 +CCCCCC(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(O)cc1,C36600610_decoy,CP3A4,Decoy,0 +CCCCC[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)c1ccc(F)cc1,C36602927_decoy,CP3A4,Decoy,0 +CC[C@@H](Sc1nnc([C@@H](C)NC(=O)Cc2ccc(OC)cc2)n1CC)C(=O)Nc1ccc([N+](=O)[O-])cc1,C39751039_decoy,CP3A4,Decoy,0 +CCOC(=O)C1=C(C)[C@H](C(=O)OCC)N=C1/C=C\C(=O)/C=C\c1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC,C39948035_decoy,CP3A4,Decoy,0 +C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)nnc1[C@H](C)Oc1ccccc1,C39967306_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2CC)cc1,C39967396_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(N(C)C)cc1,C40019317_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(N(C)C)cc1,C40019468_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(OCC)cc1,C40019778_decoy,CP3A4,Decoy,0 +CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc([N+](=O)[O-])cc1,C40020225_decoy,CP3A4,Decoy,0 +C=CCc1ccc(OCCCn2c([C@H](C)NC(=O)COc3cc(C)ccc3C)nc3ccccc32)c(OC)c1,C40193950_decoy,CP3A4,Decoy,0 +CCCCCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1OC,C39912672_decoy,CP3A4,Decoy,0 +CCOc1cc(C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc(OCC)c1OCC,C40893092_decoy,CP3A4,Decoy,0 +CCOc1cc(/C=N\NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N(CC)CC,C40947781_decoy,CP3A4,Decoy,0 +CCOC(=O)c1[nH]c(/C=C\C(=O)/C=C\c2[nH]c(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C,C25781733_decoy,CP3A4,Decoy,0 +CCCCC(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1,C36603972_decoy,CP3A4,Decoy,0 +CCOc1ccc(CN(Cc2ccco2)[C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2CCOC)cc1,C57530829_decoy,CP3A4,Decoy,0 +CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C13499193_decoy,CP3A4,Decoy,0 +O=c1[nH]c(C[NH+]2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2scc(-c3ccccc3)c12,C03403411_decoy,CP3A4,Decoy,0 +CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCN(c2ccccc2F)CC1,C06077557_decoy,CP3A4,Decoy,0 +O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](CCc3ccccc3)N2C(=O)CN1CCC[NH+]1CCOCC1,C02149664_decoy,CP3A4,Decoy,0 +CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1,C09125603_decoy,CP3A4,Decoy,0 +CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2ccc(Br)c(C)c2)CC1,C09151184_decoy,CP3A4,Decoy,0 +O=S(=O)(CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1cc(Cl)ccc1Cl,C10043317_decoy,CP3A4,Decoy,0 +N#CC(C#N)=CNc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1,C10335030_decoy,CP3A4,Decoy,0 +CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cccn1-c1ccccn1)CC2,C11783731_decoy,CP3A4,Decoy,0 +COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21,C12498317_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1,C12590528_decoy,CP3A4,Decoy,0 +C[NH+]1CCN(C(=O)c2cccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)c2)CC1,C14554423_decoy,CP3A4,Decoy,0 +O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1nc(-c2ccccc2)cs1,C15002730_decoy,CP3A4,Decoy,0 +C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)c1cccc2ccccc12,C19299382_decoy,CP3A4,Decoy,0 +Cc1c2cnn(CC(=O)NCCC[NH+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c(C)n1Cc1ccc(F)cc1,C20417381_decoy,CP3A4,Decoy,0 +Cc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3S2)c1,C20436981_decoy,CP3A4,Decoy,0 +CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NCC[C@@H]2CCC[NH+]2C)CC1,C20919012_decoy,CP3A4,Decoy,0 +CCCCCC[n+]1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cccc(C)c3nc21,C02703753_decoy,CP3A4,Decoy,0 +CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2cccs2)CC1,C22681052_decoy,CP3A4,Decoy,0 +COc1ccc(Br)cc1/C=C/C(=O)N1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1,C24069143_decoy,CP3A4,Decoy,0 +O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1,C27344905_decoy,CP3A4,Decoy,0 +COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[NH+](Cc3nc(-c4cccs4)no3)C1)CC(C)(C)O2,C31057786_decoy,CP3A4,Decoy,0 +CC(=O)N(c1nc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cs1)c1ccccc1F,C29939081_decoy,CP3A4,Decoy,0 +COc1cc2c(cc1OC)-c1c(c(C(=O)NCC[NH+](C)C)nn1-c1ccc(Br)cc1)C2,C31812835_decoy,CP3A4,Decoy,0 +O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](CC(=O)N3CCCC3)C[C@H]12,C35555682_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc(CC(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)cs2)cc1OC,C36684547_decoy,CP3A4,Decoy,0 +CN1C(S[C@@H](C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)=NN[C@@H]1C[C@@H]1CCS(=O)(=O)C1,C39731477_decoy,CP3A4,Decoy,0 +C[C@@H](S[C@H]1NN=C(c2ccc(F)cc2)N1CCN1CCOCC1)C(=O)C1=c2ccccc2=[NH+]C1,C39990840_decoy,CP3A4,Decoy,0 +CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,C12746300_decoy,CP3A4,Decoy,0 +COCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H]1C=c2c(C)ccc(C)c2=[NH+]C1=O,C40010984_decoy,CP3A4,Decoy,0 +COCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H]1C=c2c(C)ccc(C)c2=[NH+]C1=O,C40010985_decoy,CP3A4,Decoy,0 +COCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H]1C=c2cccc(C)c2=[NH+]C1=O,C40011063_decoy,CP3A4,Decoy,0 +O=C(NC1CC[NH+]([C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)CC1)c1ccccc1,C28742572_decoy,CP3A4,Decoy,0 +Cc1csc(NC(=O)C2CC[NH+](CC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)CC2)n1,C40149655_decoy,CP3A4,Decoy,0 +Cc1ccc(OC[C@@H](O)C[NH+](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)cc1C,C40314931_decoy,CP3A4,Decoy,0 +COc1ccc(C[NH+](C[C@@H](O)COc2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1,C40316921_decoy,CP3A4,Decoy,0 +CC(=O)c1ccc(OC[C@H](O)C[NH+](Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1,C40319257_decoy,CP3A4,Decoy,0 +COC(=O)c1sc2nc(C[NH+]3CC[C@H]4CCCC[C@@H]4C3)ccc2c1NC(=O)c1cc(C)nn1C,C43632551_decoy,CP3A4,Decoy,0 +N#Cc1ccnc(-c2ccc(C[NH2+]C3CCN(C[C@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)cc2)c1,C45303010_decoy,CP3A4,Decoy,0 +C[C@@H]1CN(c2ccc(CNC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)c[nH+]2)C[C@H](C)O1,C46892425_decoy,CP3A4,Decoy,0 +CCCC1=NN2C(=[NH2+])/C(=C/c3cn(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1,C33143541_decoy,CP3A4,Decoy,0 +C[C@@H](C(=O)NC1CC1)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c23)CCCC4)CC1,C57380650_decoy,CP3A4,Decoy,0 +O=C(CN1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,C22928556_decoy,CP3A4,Decoy,0 +CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1,C39944589_decoy,CP3A4,Decoy,0 +CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1,C39944590_decoy,CP3A4,Decoy,0 +COc1ccc(CCNC(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H]3c4ccccc4C(=O)N32)cc1OC,C63375812_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2[NH+]=c3ccccc3=C2SCCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1,C63437486_decoy,CP3A4,Decoy,0 +CC(=O)Oc1ccc2c(c1C)OC(=O)[C@@H](CCC(=O)NCCC1=c3cc(Cl)ccc3=[NH+]C1)[C@@H]2C,C63492369_decoy,CP3A4,Decoy,0 +O=C(CCCN1C(=O)[C@@H]2C=C(Br)C=CC2=NC1=S)NCCC1=c2ccccc2=[NH+]C1,C63667433_decoy,CP3A4,Decoy,0 +COc1ccc([C@@H]2[C@@H](C(=O)NCCC3=c4ccccc4=[NH+]C3)c3ccccc3C(=O)N2C)cc1OC,C63818889_decoy,CP3A4,Decoy,0 +CN1[C@@H](SCC(=O)NCc2ccc3c(c2)OCCCO3)N=N[C@@H]1[C@@H]1C=c2cc(Cl)ccc2=[NH+]1,C64450256_decoy,CP3A4,Decoy,0 +O=[N+]([O-])c1ccc(OC/C=C2/Oc3c(Br)cc(Br)cc3[C@@H]2[NH+]2CCOCC2)cc1,C01204737_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(CSc2ccc(Cl)cc2)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c12,C00626302_decoy,CP3A4,Decoy,0 +CSc1nc(SCC(=O)c2ccccc2)c2sc3[nH+]c(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4,C08767918_decoy,CP3A4,Decoy,0 +Cc1ccc(C(=O)/C=C\Nc2ccc(N3CCN(c4[nH+]cc(C(F)(F)F)cc4Cl)CC3)cc2)cc1,C08873849_decoy,CP3A4,Decoy,0 +CCN(CC)c1ccc(/C=C2/SC(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1,C09057798_decoy,CP3A4,Decoy,0 +Cn1c(=O)c2c(nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n2C/C=C/c2ccccc2)n(C)c1=O,C09296971_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[NH+]32)cc1,C02321189_decoy,CP3A4,Decoy,0 +Cc1cc(C)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc2c1,C09401123_decoy,CP3A4,Decoy,0 +Cc1c(Cl)ccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12,C09505654_decoy,CP3A4,Decoy,0 +C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccc(F)cc2s1,C10067628_decoy,CP3A4,Decoy,0 +CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC[NH+](Cc1ccccc1)C2,C11882552_decoy,CP3A4,Decoy,0 +COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[NH+](Cc1c[nH]nc1-c1ccccc1)C2,C11789399_decoy,CP3A4,Decoy,0 +CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CC[NH+](CC)CC4)sc3c2)cc1,C12488634_decoy,CP3A4,Decoy,0 +CCc1cc([C@H](c2cccc(F)c2)N2CCN(c3cccc[nH+]3)CC2)c(NC(=O)c2ccccc2)s1,C19880705_decoy,CP3A4,Decoy,0 +Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(c2cccc[nH+]2)CC1,C19908801_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C)c5)[C@@H](C)C4)ccc3n2)CC1,C20153629_decoy,CP3A4,Decoy,0 +COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[NH+]32)cc1,C16037630_decoy,CP3A4,Decoy,0 +CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2,C27318974_decoy,CP3A4,Decoy,0 +Cc1cc[nH+]c(N2CCN(CCc3c(C)n4c5c(cc(C(=O)/C=C/c6ccccc6)cc35)CCC4)CC2)c1,C13740431_decoy,CP3A4,Decoy,0 +Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1,C34788036_decoy,CP3A4,Decoy,0 +CCCCc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1,C34829769_decoy,CP3A4,Decoy,0 +CCOc1ccccc1-n1c([C@H](C)N(CC[NH+](C)C)C(=O)c2ccccc2Cl)nc2ccccc2c1=O,C35094594_decoy,CP3A4,Decoy,0 +CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C,C35363828_decoy,CP3A4,Decoy,0 +CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1cccc2ccccc12,C35938452_decoy,CP3A4,Decoy,0 +CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1,C36344124_decoy,CP3A4,Decoy,0 +CC1(C)C[C@H]2C[C@](C)(C[NH+]2CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3cc(Br)ccc32)C1,C16037810_decoy,CP3A4,Decoy,0 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+C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N([C@@H](C)CCc2ccccc2)C1=O,C36027239_decoy,CP3A4,Decoy,0 +C[C@H](CCc1ccccc1)N1C(=O)[C@@H](C)[NH2+]C12CCN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2,C36027240_decoy,CP3A4,Decoy,0 +C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N([C@H](C)CCc2ccccc2)C1=O,C36027241_decoy,CP3A4,Decoy,0 +COc1ccc(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[NH+](C)C3)C2)c(O)c1,C55119333_decoy,CP3A4,Decoy,0 +Cc1ccc(-c2nn3c(=O)cc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)[nH+]c3s2)cc1,C15769203_decoy,CP3A4,Decoy,0 +C[NH+](Cc1ccccc1)Cc1c(O)ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc12,C41514749_decoy,CP3A4,Decoy,0 +COc1cccc([C@@H]2CN3C(=O)CN(CCc4ccccc4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)c1OC,C63374914_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)ccc1OC(C)C,C63375005_decoy,CP3A4,Decoy,0 +CCOc1cc(C(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@@H]3[C@@H]2c2ccc(F)cc2)cc(OCC)c1OCC,C63491751_decoy,CP3A4,Decoy,0 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+Cc1cc(C)c2sc(N(CCC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc2c1,C09505602_decoy,CP3A4,Decoy,0 +CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(F)cc(F)cc3s2)cc1,C10100478_decoy,CP3A4,Decoy,0 +Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)nc12,C10751625_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc12,C10775574_decoy,CP3A4,Decoy,0 +CSc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12,C10812825_decoy,CP3A4,Decoy,0 +Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1,C12037778_decoy,CP3A4,Decoy,0 +Cc1cc(C)n(CCC(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH+]c2N2CCOCC2)CCC4)n1,C12217912_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN([P@](=Nc2cc([N+](=O)[O-])ccc2OC)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1,C12579238_decoy,CP3A4,Decoy,0 +Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3CC[NH+](C)CC3)nc12,C13766165_decoy,CP3A4,Decoy,0 +CC[NH+]1CCN(C(=O)c2csc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3)n2)CC1,C16460687_decoy,CP3A4,Decoy,0 +COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc12,C16913594_decoy,CP3A4,Decoy,0 +CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=C[NH+]23)cc1,C09348177_decoy,CP3A4,Decoy,0 +COc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)n2)cc1,C23244459_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)n2)cc1,C23244543_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4C)CC3)n2)cc1,C23244554_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4cc(C)c(OC)cc4C)CC3)n2)cc1,C23244629_decoy,CP3A4,Decoy,0 +O=c1ccc(-c2ccc(F)cc2)nn1CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,C23245145_decoy,CP3A4,Decoy,0 +CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)cc1,C23245228_decoy,CP3A4,Decoy,0 +Cc1ccc(C)c(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3CC(=O)N(C)C)CC(C)(C)OC5)CC2)c1,C34734904_decoy,CP3A4,Decoy,0 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+CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccc(OC)cc4)CC(=O)N23)cc1OC,C63142084_decoy,CP3A4,Decoy,0 +COC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2CN1C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3,C63351044_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2CC(=O)N3C[C@@H](c4ccc(C)cc4)C4=c5ccccc5=[NH+][C@@H]4[C@@]3(C)C2=O)cc1OC,C63363080_decoy,CP3A4,Decoy,0 +COc1ccc(CCN2CC(=O)N3C[C@H](c4ccccc4OC)C4=c5ccccc5=[NH+][C@@H]4[C@@]3(C)C2=O)cc1,C63372814_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63373467_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63373469_decoy,CP3A4,Decoy,0 +CCCOc1ccc([C@@H]2CN3C(=O)CN(C[C@@H]4CCCO4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63374248_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)ccc1OC(C)C,C63375038_decoy,CP3A4,Decoy,0 +COc1cc([C@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)ccc1OC(C)C,C63375040_decoy,CP3A4,Decoy,0 +COc1cccc([C@H]2CN3C(=O)CN(CCc4cccc(F)c4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)c1OC,C63375127_decoy,CP3A4,Decoy,0 +CCC(CC)NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,C04249762_decoy,CP3A4,Decoy,0 +CCOCCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCCC1,C04417667_decoy,CP3A4,Decoy,0 +Cc1ccc(SCCNC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1,C05165393_decoy,CP3A4,Decoy,0 +CC(C)CN(CC(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,C05010510_decoy,CP3A4,Decoy,0 +Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1,C05704169_decoy,CP3A4,Decoy,0 +CCOC(=O)CCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)N[C@@H](C)CC)c1,C06711878_decoy,CP3A4,Decoy,0 +CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(N(C)C)cc1,C07438562_decoy,CP3A4,Decoy,0 +CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1,C08029723_decoy,CP3A4,Decoy,0 +CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)CCCl)c2n1,C08948808_decoy,CP3A4,Decoy,0 +CC(C)Oc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1,C08981949_decoy,CP3A4,Decoy,0 +CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C(C)C)cc1,C10452456_decoy,CP3A4,Decoy,0 +C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC)c(OCC)c2)cc1,C11656493_decoy,CP3A4,Decoy,0 +CCOc1ccc(CCNC(=O)c2ccccc2NS(C)(=O)=O)cc1OCC,C12605541_decoy,CP3A4,Decoy,0 +CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O,C14996927_decoy,CP3A4,Decoy,0 +COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC,C17298749_decoy,CP3A4,Decoy,0 +CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)c2ccc(C)s2)cc1,C18071371_decoy,CP3A4,Decoy,0 +O=C(COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NCCC1=CCCCC1,C18996646_decoy,CP3A4,Decoy,0 +C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCCC1=CCCCC1,C21249720_decoy,CP3A4,Decoy,0 +C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1,C21369355_decoy,CP3A4,Decoy,0 +O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCNC(=O)c1ccco1,C23041600_decoy,CP3A4,Decoy,0 +C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C(CC)CC)s2)c1,C26564232_decoy,CP3A4,Decoy,0 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+C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1,C09607019_decoy,CP3A4,Decoy,0 +CSc1ccc2nc(N(CCc3cccs3)C(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1,C10097850_decoy,CP3A4,Decoy,0 +CSc1ccc2nc(N(CCc3cccs3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1,C10097889_decoy,CP3A4,Decoy,0 +COc1ccc(SCCCC(=O)N(C[C@@H]2CCCO2)c2nc3c(SC)cccc3s2)cc1,C10824159_decoy,CP3A4,Decoy,0 +COCCN(Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)CCC3)C(=O)Cc1csc(C)n1,C12190067_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c(C)n1-c1nccs1,C13017175_decoy,CP3A4,Decoy,0 +O=C(c1cccc(Cl)c1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@H]1CCCO1,C04172726_decoy,CP3A4,Decoy,0 +O=C(c1ccc(Cl)cc1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@@H]1CCCO1,C04172682_decoy,CP3A4,Decoy,0 +CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S,C02325652_decoy,CP3A4,Decoy,0 +CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1,C13713766_decoy,CP3A4,Decoy,0 +CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl,C13749874_decoy,CP3A4,Decoy,0 +C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S,C13815073_decoy,CP3A4,Decoy,0 +Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(C)n1-c1cccc(C(F)(F)F)c1,C03310726_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1cccc(OCCc2cccs2)c1)C[C@@H]1CCCO1,C14995226_decoy,CP3A4,Decoy,0 +CCC(=O)Oc1ccc(I)cc1/C=C/c1ccc2cccc(OC(=O)CC)c2n1,C15016464_decoy,CP3A4,Decoy,0 +COc1cc(C=O)ccc1OCCOCCOc1c(Br)cc(C)cc1Br,C02994790_decoy,CP3A4,Decoy,0 +Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1,C16508861_decoy,CP3A4,Decoy,0 +CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S,C02666023_decoy,CP3A4,Decoy,0 +CCCCSC1=NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1ccccc1,C20582111_decoy,CP3A4,Decoy,0 +CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC,C21265492_decoy,CP3A4,Decoy,0 +O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1Br)n2CC1CC1)N1CCCC1,C23455360_decoy,CP3A4,Decoy,0 +COc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)cs2)cc1OC,C23973385_decoy,CP3A4,Decoy,0 +C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc(-c2ccccc2C)n1CC,C24829285_decoy,CP3A4,Decoy,0 +CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)c2nc3ccccc3s2)cc1,C26779663_decoy,CP3A4,Decoy,0 +CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1,C26967395_decoy,CP3A4,Decoy,0 +CC1(C)[C@H](C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)[C@@H]1C=C(Cl)Cl,C26967404_decoy,CP3A4,Decoy,0 +CCN1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)c(OC)c2)SC1=S,C26967605_decoy,CP3A4,Decoy,0 +COc1ccccc1[C@@]1(CCN(Cc2ccccc2F)C(=O)Cc2ccco2)CCO[C@H](C(C)C)C1,C27666528_decoy,CP3A4,Decoy,0 +COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1,C31829167_decoy,CP3A4,Decoy,0 +CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1,C34737574_decoy,CP3A4,Decoy,0 +Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc(F)cc2)C(C)(C)C)cc1,C35742123_decoy,CP3A4,Decoy,0 +CCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2C)cc1,C35829033_decoy,CP3A4,Decoy,0 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+Cc1ccc(-c2cnc(CCC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)o2)cc1,C41020921_decoy,CP3A4,Decoy,0 +CCc1ccc(OCCOc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1,C41077619_decoy,CP3A4,Decoy,0 +COC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1,C41499750_decoy,CP3A4,Decoy,0