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+Clc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2)cc1,CHEMBL446433,1 +Clc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1,CHEMBL118781,1 +Clc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1,CHEMBL118538,1 +Clc1ccc2c(NCc3ccc4c(c3)OCO4)ncnc2c1,CHEMBL305771,1 +Clc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,CHEMBL544816,1 +Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1,CHEMBL553819,1 +Clc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1,CHEMBL539806,1 +Clc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL66620,1 +Clc1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1,CHEMBL118717,1 +Clc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1,CHEMBL553820,1 +Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1,CHEMBL332898,1 +Clc1ccccc1CNc1nc(-c2ccccc2)nc2ccccc12,CHEMBL333093,1 +Clc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12,CHEMBL118696,1 +Clc1nc(NCc2ccccc2)c2ccccc2n1,CHEMBL118193,1 +Cn1c(=O)[nH]c(=O)c2c1nc(S)n2CC(O)COc1ccc2ccccc2c1,CHEMBL203324,1 +Cn1c2c(c(=O)c3ccccc31)CN(C(=O)OCc1ccncc1)C2c1ccc2c(c1)OCO2,CHEMBL349299,1 +Cn1ccc2cc(CNc3c(CO)cnc4c(C5CC5)cc(C#N)cc34)ccc21,CHEMBL5441029,1 +Cn1ccnc1CCN1CC[C@@H](N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)C1,CHEMBL282515,1 +Cn1ccnc1CN1CC[C@@H](N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)C1,CHEMBL2022213,1 +Cn1cnc2c(NCc3ccccc3)nc(Nc3cccc(S(N)(=O)=O)c3)nc21,CHEMBL5183230,1 +Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1ccc(O)c(C(=O)O)c1,CHEMBL184017,1 +Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(-c2nn[nH]n2)c1,CHEMBL185203,1 +Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(-c2noc(O)n2)c1,CHEMBL263311,1 +Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(C(=O)O)c1,CHEMBL185604,1 +Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(O)c1,CHEMBL185532,1 +FC(F)(F)c1cccc(-c2ccc(CN3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)c1,CHEMBL350400,1 +FC(F)Oc1ccc(-c2ccnc3cc(-c4cccnc4)nn23)cc1OCC1CC1,CHEMBL604519,1 +Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1,CHEMBL555184,1 +Fc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,CHEMBL545749,1 +N#Cc1c(/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)sc2c1CCCC2,CHEMBL383474,1 +N#Cc1c(C2CCCC2)c2ccc(NCc3ccc(F)cn3)cc2n(CC2CCCC2)c1=O,CHEMBL5395569,1 +N#Cc1c(N)nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c1-c1ccccc1,CHEMBL203070,1 +N#Cc1cc(C2CC2)c2ncc(CO)c(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL5415362,1 +N#Cc1cc(C2CC2)c2ncc(CO)c(NCc3ccnc(Cl)c3)c2c1,CHEMBL5402341,1 +N#Cc1ccc(-c2ccc(C(=O)N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)OCO4)o2)cc1,CHEMBL337560,1 +N#Cc1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL419215,1 +N#Cc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL67243,1 +NC(=O)CCN1CC[C@@H](N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)C1,CHEMBL33147,1 +NC(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL63428,1 +NS(=O)(=O)c1cccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1,CHEMBL5178863,1 +NS(=O)(=O)c1cccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)c3nc[nH]c3n2)c1,CHEMBL5194921,1 +NS(=O)(=O)c1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1,CHEMBL4445920,1 +Nc1ccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)cc1,CHEMBL165117,1 +Nc1ccc(-c2nnc(O)n3c(Br)c(Br)nc23)cc1,CHEMBL174270,1 +Nc1cccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)c1,CHEMBL350962,1 +Nc1ccccc1NCc1nc2c(cnn2-c2ccc(Br)cc2)c(=O)[nH]1,CHEMBL4798704,1 +Nc1ccccc1NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,CHEMBL4747542,1 +Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1,CHEMBL356323,1 +Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1Cc1ccc([N+](=O)[O-])cc1,CHEMBL423933,1 +Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1Cc1cccc2ccccc12,CHEMBL142969,1 +Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1Cc1ccccc1,CHEMBL142782,1 +Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1S(=O)(=O)c1ccccc1,CHEMBL357851,1 +Nc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O,CHEMBL557755,1 +Nc1ncc(-c2ccc(C3(c4nn[nH]n4)CCCC3)cc2)cc1-c1ccc(Cl)cc1,CHEMBL4777705,1 +Nc1ncc(-c2ccc3c(c2)CC[C@@H]3C(=O)O)cc1-c1ccc(Cl)cc1,CHEMBL4783711,1 +O=C(/C=C/c1ccc(N2CC(=O)N3C(Cc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)C2=O)cc1)NO,CHEMBL5272781,1 +O=C(/C=C/c1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL158374,1 +O=C(C#Cc1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL263000,1 +O=C(CCCCCCN1CC(=O)N2[C@H](CC3c4ccccc4NC3[C@H]2c2ccc(Br)cc2)C1=O)NO,CHEMBL5219000,1 +O=C(CCCCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO,CHEMBL5288699,1 +O=C(CCCCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO,CHEMBL5275513,1 +O=C(CCCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO,CHEMBL5289022,1 +O=C(CCCCCN1CCN2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)C1)NO,CHEMBL5276050,1 +O=C(CCCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)NO,CHEMBL5278646,1 +O=C(CCCN1CCC(N2CC(=O)N3C(Cc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)C2=O)CC1)NO,CHEMBL5267803,1 +O=C(CCN1CC[C@@H](N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)C1)N1CCC1,CHEMBL286309,1 +O=C(CCc1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL345179,1 +O=C(Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)c1)NO,CHEMBL188211,1 +O=C(Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1)NO,CHEMBL187548,1 +O=C(Cc1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL157701,1 +O=C(Cc1cnc(N2CCC(CN3CC(=O)N4[C@H](c5ccc6c(c5)OCO6)c5[nH]c6ccccc6c5C[C@@H]4C3=O)CC2)nc1)NO,CHEMBL5269889,1 +O=C(Cc1csc(NC(=O)C2C=CN(c3ccccc3)c3ccccc32)n1)NO,CHEMBL190948,1 +O=C(Cc1csc(NC(=O)CCC(=O)c2ccccc2)n1)NO,CHEMBL188241,1 +O=C(Cc1csc(NC(=O)CCCCCc2ccccc2)n1)NO,CHEMBL365618,1 +O=C(Cc1csc(NC(=O)COc2ccc(Cl)cc2)n1)NO,CHEMBL188647,1 +O=C(Cc1csc(NC(=O)COc2ccccc2)n1)NO,CHEMBL361691,1 +O=C(Cc1csc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1)NO,CHEMBL188162,1 +O=C(Cc1csc(NC(=O)Nc2cccc3ccccc23)n1)NO,CHEMBL189007,1 +O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2Cl)n1)NO,CHEMBL365857,1 +O=C(Cc1csc(NC(=O)c2ccc3ccccc3n2)n1)NO,CHEMBL188333,1 +O=C(Cc1csc(NC(=O)c2cccc(C(=O)c3ccccc3)c2)n1)NO,CHEMBL189656,1 +O=C(Cc1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1)NO,CHEMBL190787,1 +O=C(Cc1csc(NC(=O)c2cccc(SC(F)(F)F)c2)n1)NO,CHEMBL366212,1 +O=C(Cc1csc(NC(=O)c2cccc3ccccc23)n1)NO,CHEMBL365147,1 +O=C(Cc1csc(NC(=O)c2ccccc2)n1)NO,CHEMBL364482,1 +O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NO,CHEMBL371587,1 +O=C(Cc1csc(NC(=O)c2ccccn2)n1)NO,CHEMBL189182,1 +O=C(Cc1csc(NC(=O)c2cnc3ccccc3n2)n1)NO,CHEMBL360645,1 +O=C(Cc1csc(NC(=O)c2cnccc2Oc2ccc(Cl)cc2)n1)NO,CHEMBL365694,1 +O=C(NCc1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL161408,1 +O=C(NO)C(=O)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1,CHEMBL190376,1 +O=C(NO)c1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1,CHEMBL188233,1 +O=C(NO)c1cnc(N2CCC(CN3CC(=O)N4C(Cc5c([nH]c6ccccc56)C4c4ccc5c(c4)OCO5)C3=O)CC2)nc1,CHEMBL5277907,1 +O=C(Nc1nc(C(Cc2ccccc2)C(=O)NO)cs1)c1cccc(COc2ccccc2)n1,CHEMBL189520,1 +O=C(Nc1nc(C(Cc2ccccc2)C(=O)O)cs1)c1cccc(COc2ccccc2)n1,CHEMBL189519,1 +O=C(Nc1nc(C2(C(=O)NO)CC2)cs1)c1cccc(COc2ccccc2)n1,CHEMBL188628,1 +O=C(Nc1nc(C2(C(=O)NO)CCOCC2)cs1)c1cccc(COc2ccccc2)n1,CHEMBL363301,1 +O=C(Nc1nc(C2(C(=O)O)CC2)cs1)c1cccc(COc2ccccc2)n1,CHEMBL190263,1 +O=C(Nc1nc(C2(C(=O)O)CCOCC2)cs1)c1cccc(COc2ccccc2)n1,CHEMBL370238,1 +O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)ccc3n2)CC1,CHEMBL25616,1 +O=C(O)C1CCN(c2ncc3c(NCc4ccc5c(c4)OCO5)c(Cl)ccc3n2)CC1,CHEMBL4552529,1 +O=C(O)CCC(C(=O)O)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1,CHEMBL189772,1 +O=C(O)CCC(CCC(=O)O)(C(=O)O)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1,CHEMBL187341,1 +O=C(O)CCCC(=O)Nc1ccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)cc1,CHEMBL354251,1 +O=C(O)CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)c1,CHEMBL347047,1 +O=C(O)CCN1CC(=O)N2[C@H](CC3c4ccccc4NC3[C@H]2c2ccc(Br)cc2)C1=O,CHEMBL5220907,1 +O=C(O)CCc1ncc2c(=O)[nH]c3cc(Br)ccc3n12,CHEMBL3676174,1 +O=C(O)CCc1ncc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12,CHEMBL3676176,1 +O=C(O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)c1,CHEMBL188108,1 +O=C(O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1,CHEMBL187442,1 +O=C(O)c1ccc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1,CHEMBL3919436,1 +O=C(O)c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1,CHEMBL203829,1 +O=C(O)c1ccc(-c2ccc(C(=O)N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)OCO4)o2)cc1,CHEMBL136521,1 +O=C(O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL304275,1 +O=C(O)c1ccccc1OCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,CHEMBL4753374,1 +O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,CHEMBL506247,1 +O=C(OCc1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL157819,1 +O=C(OCc1ccncc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL158817,1 +O=C(OCc1ccncc1)N1Cc2c(nc3ccccc3c2O)[C@@H]1c1ccc2c(c1)OCO2,CHEMBL158829,1 +O=C(OCc1ccncc1)N1Cc2c(nc3ccccc3c2O)[C@H]1c1ccc2c(c1)OCO2,CHEMBL351813,1 +O=C(c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl)N1CCN(CCO)CC1,CHEMBL3676173,1 +O=C(c1cc2ccc(O)cc2o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)CCO2,CHEMBL136498,1 +O=C(c1cc2ccc(O)cc2o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL336003,1 +O=C(c1ccc(-c2ccc(CO)cc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL344431,1 +O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL350515,1 +O=C(c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL422389,1 +O=C(c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2,CHEMBL164173,1 +O=C(c1ccc(-c2ccc(O)cc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL335784,1 +O=C(c1ccc(-c2ccc(OCCN3CCCC3)cc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL342404,1 +O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL166025,1 +O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL424280,1 +O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL164755,1 +O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL344152,1 +O=C(c1ccc(-c2cccc(CO)c2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL343596,1 +O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL164181,1 +O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL422100,1 +O=C(c1ccc(-c2ccccc2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL350993,1 +O=C(c1ccc(-c2ccccc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL336921,1 +O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2,CHEMBL163712,1 +O=C(c1ccc(-c2ccccn2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)CCO2,CHEMBL349359,1 +O=C(c1ccc(-c2cccnc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)CCO2,CHEMBL423180,1 +O=C(c1ccc(-c2cccnc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL139785,1 +O=C(c1ccc(-c2ccco2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL337804,1 +O=C(c1ccc(-c2ccncc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL138949,1 +O=C(c1ccc(-c2ccsc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL342922,1 +O=C(c1ccc(Br)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL423177,1 +O=C(c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1)N1CCOCC1,CHEMBL304277,1 +O=C(c1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL344366,1 +O=C(c1cccnc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL138799,1 +O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C(=O)CN1C1CCCCC1,CHEMBL5281736,1 +O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccccc1,CHEMBL5273796,1 +O=C1C2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCC1CCN(Cc2ccccc2)CC1,CHEMBL5266191,1 +O=C1Nc2c(Cl)cc(-c3ccc(C(=O)O)cc3)cc2C2(CCCCC2)N1,CHEMBL185304,1 +O=C1Nc2c(Cl)cc(-c3ccncc3)cc2C2(CCCCC2)N1,CHEMBL185208,1 +O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCC1CCN(Cc2ccccc2)CC1,CHEMBL5271210,1 +O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)N2C(=O)CN1Cc1ccccc1,CHEMBL1094263,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)nc3)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL34169,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1,CHEMBL286905,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1C1CN(Cc2ccccc2)C1,CHEMBL284719,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCC1CCN(Cc2ccccc2)CC1,CHEMBL4435044,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1CCN1CCOCC1,CHEMBL30936,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCC2CC2)C1,CHEMBL33944,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2ccccn2)C1,CHEMBL284070,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2cccnc2)C1,CHEMBL33518,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2cnccn2)C1,CHEMBL33121,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2ncc[nH]2)C1,CHEMBL418594,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1,CHEMBL32255,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2cccnc2)C1,CHEMBL5284370,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2ncc[nH]2)C1,CHEMBL5281220,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@H]1CCN(Cc2ccccc2)C1,CHEMBL284059,1 +O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)N2C(=O)CN1Cc1ccccc1,CHEMBL1094591,1 +O=Cc1ccc(-c2ccc(C(=O)N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)OCO4)o2)cc1,CHEMBL343345,1 +O=S(=O)(/C=C/c1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL160556,1 +O=S(=O)(Cc1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2,CHEMBL158633,1 +O=[N+]([O-])c1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1,CHEMBL116276,1 +O=[N+]([O-])c1ccc2c(NCc3ccc4c(c3)OCO4)nnc(Cl)c2c1,CHEMBL114693,1 +O=[N+]([O-])c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,CHEMBL544347,1 +O=[N+]([O-])c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1,CHEMBL557022,1 +O=[N+]([O-])c1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1,CHEMBL341679,1 +O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1,CHEMBL118812,1 +O=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccc(Br)cc1,CHEMBL4745690,1 +O=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccccc1,CHEMBL4799568,1 +O=c1[nH]c(CNc2ccccc2O)nc2c1cnn2-c1ccc(Br)cc1,CHEMBL4791250,1 +O=c1[nH]c(CNc2ccccc2O)nc2c1cnn2-c1ccccc1,CHEMBL4785159,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1,CHEMBL557467,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cc(F)cc(F)c1,CHEMBL557059,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1ccccn1,CHEMBL562208,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1,CHEMBL560545,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(O)nc3)nc2n1CC1CCCCC1,CHEMBL560609,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc2n1CC1CCCCC1,CHEMBL563130,1 +O=c1c(NCC2CCOCC2)nc2ccc(-c3cnc(O)nc3)nc2n1CC1CCCCC1,CHEMBL2262622,1 +O=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc2n1CC1CCCCC1,CHEMBL550007,1 +O=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1,CHEMBL559889,1 +O=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(O)nc3)nc2n1CC1CCCCC1,CHEMBL2262623,1 +O=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1,CHEMBL563661,1 +O=c1c2c(F)cc(Br)cc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4206105,1 +O=c1c2c(F)cccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4206819,1 +O=c1c2c(O)cc(NCCN3CCOCC3)cc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4209550,1 +O=c1c2c(O)cccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4215845,1 +O=c1c2cc(Br)ccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4202694,1 +O=c1c2cc(Cl)cc(Br)c2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4209958,1 +O=c1c2cc(Cl)ccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4214353,1 +O=c1c2cc(F)cc(F)c2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4214877,1 +O=c1c2cc(F)ccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4207041,1 +O=c1c2ccc(Br)cc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4209964,1 +O=c1c2ccc(Cl)cc2ncn1Cc1ccc2c(c1)OCO2,CHEMBL67418,1 +O=c1c2ccc(Cl)cc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4214882,1 +O=c1c2ccc(F)cc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4205598,1 +O=c1c2cccc(Cl)c2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12,CHEMBL4218349,1 +O=c1c2ccccc2nc2n1CCc1c-2[nH]c2cc(O)cc(O)c12,CHEMBL4641767,1 +O=c1c2ccccc2nc2n1CCc1c-2[nH]c2cc(O)ccc12,CHEMBL4638725,1 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+NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-],CHEMBL476124,1 +NC(=O)c1sc2c([n+]1[O-])C(SC[C@H](N)C(=O)O)C(SC(F)(F)F)=CC2[N+](=O)[O-],CHEMBL4531713,1 +NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,CHEMBL2001751,1 +NC1CCC(C(=O)NCCCn2c(=O)c3cc(F)ccc3n3c(=S)[nH]nc23)CC1,CHEMBL4777157,1 +NCCCCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4787926,1 +NCCCc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1,CHEMBL1945023,1 +NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4754906,1 +NCCCn1c(=O)c2cccc(F)c2n2c(=S)[nH]nc12,CHEMBL4755386,1 +NCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4761447,1 +NCCOCCOCCOCCOCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4784833,1 +NCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4751497,1 +NS(=O)(=O)CCCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4777570,1 +NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,CHEMBL3401983,1 +NS(=O)(=O)c1cc(Cl)c(NC(=S)NC(=O)c2ccccc2)c(Cl)c1,CHEMBL3944679,1 +NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)c(Br)c1,CHEMBL3922258,1 +NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)c(I)c1,CHEMBL3921162,1 +NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,1 +N[C@H](COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,CHEMBL516429,1 +Nc1cccc(-c2ccnc(Nc3ccc(O)cc3)n2)c1,CHEMBL476125,1 +Nc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cc1,CHEMBL1630115,1 +Nc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,CHEMBL1630113,1 +Nc1ccccc1NC(=O)/C=C/c1cccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1,CHEMBL1630114,1 +Nc1ccccc1NC(=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,CHEMBL1630111,1 +Nc1ccccc1NC(=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1,CHEMBL1630112,1 +Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1,CHEMBL402272,1 +Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,CHEMBL524266,1 +Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,1 +Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,1 +O=C(/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cc1)NO,CHEMBL1630110,1 +O=C(/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)NO,CHEMBL1630107,1 +O=C(/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1)NO,CHEMBL1630108,1 +O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCCO2,CHEMBL3260244,1 +O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1ccc2c(c1)OCCO2,CHEMBL3260243,1 +O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc2c(c1)OCCO2,CHEMBL3260248,1 +O=C(/C=C/c1cccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1)NO,CHEMBL1630109,1 +O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc2c(c1)OCCO2,CHEMBL3260242,1 +O=C(/C=C/c1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2,CHEMBL3260249,1 +O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc2c(c1)OCCO2,CHEMBL3260236,1 +O=C(CC1CCNCC1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4762260,1 +O=C(CCNC(=O)c1ccc(CO)cc1)N[C@@H](Cc1cnnn1CCCCCCCCc1ccccc1)C(=O)NCc1cnnn1CCP(=O)(O)O,CHEMBL4445650,1 +O=C(CCNC(=O)c1ccc(CO)cc1)N[C@@H](Cc1cnnn1CCc1ccccc1)C(=O)NCc1cn(CCP(=O)(O)O)nn1,CHEMBL5186020,1 +O=C(CCc1cn(CC(O)CN2CCCCC2)c2ccccc12)c1ccccc1,CHEMBL3394757,1 +O=C(CN1CCOCC1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4796001,1 +O=C(Cc1ccc(Br)cc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4741770,1 +O=C(Cc1ccc(F)cc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4785186,1 +O=C(Cc1ccc(O)cc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4742821,1 +O=C(Cc1cccc(C(F)(F)F)c1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4795057,1 +O=C(Cc1cccc(Cl)c1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4754571,1 +O=C(Cc1cccc(F)c1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4757497,1 +O=C(Cc1ccccc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4791970,1 +O=C(Cc1ccccc1C(F)(F)F)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4753107,1 +O=C(Cc1ccccn1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4799166,1 +O=C(Cc1cccnc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4747182,1 +O=C(Cc1ccncc1)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4761120,1 +O=C(NC1CCCCC1)c1cc2c(-c3ccccc3)[nH]nc2s1,CHEMBL199755,1 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCC1,CHEMBL4795697,1 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCOCC1,CHEMBL4785254,1 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)c1ccc(Cn2ccnc2)cc1,CHEMBL4789824,1 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)c1ccccc1,CHEMBL4741656,1 +O=C(NCCc1ccc(O)c(Br)c1)/C(Cc1cc(Br)c(O)c(-c2cc(C/C(=N/O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)c1)=N\O,CHEMBL505637,1 +O=C(NCCc1ccc(O)c(Br)c1)/C(Cc1cc(Br)c(O)c(Oc2ccc(CCNC(=O)/C(Cc3cc(Br)c(O)c(-c4cc(C/C(=N\O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)c3)=N/O)cc2Br)c1)=N/O,CHEMBL2333163,1 +O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,1 +O=C(NO)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,CHEMBL1630117,1 +O=C(NO)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1,CHEMBL1630118,1 +O=C(Nc1ccc2cc(C(=O)Nc3nccs3)ccc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL4445812,1 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12,CHEMBL2006010,1 +O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,1 +O=C(O)CCC(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12,CHEMBL4764548,1 +O=C(O)CCc1cn(CC(O)CN2CCCC2)c2ccccc12,CHEMBL3394768,1 +O=C(O)CCc1cn(CC(O)CN2CCCCC2)c2ccccc12,CHEMBL3394767,1 +O=C(O)Cc1cn(CC(O)CN2CCCC2)c2ccccc12,CHEMBL3394764,1 +O=C(O)Cc1cn(CC(O)CN2CCCCC2)c2ccccc12,CHEMBL3394763,1 +O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL485818,1 +O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,CHEMBL1996831,1 +O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,CHEMBL1974457,1 +O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12,CHEMBL1230165,1 +O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1,CHEMBL396523,1 +O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1,CHEMBL244378,1 +O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,1 +O=C(O)c1cn(CC(O)CN2CCCC2)c2ccccc12,CHEMBL3394760,1 +O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,CHEMBL1984274,1 +O=C1C(C2=C3C(=Nc4ccccc43)/C(=C\c3ccc(O)cc3)C2=O)=C2C(=Nc3ccccc32)/C1=C\c1ccc(O)cc1,CHEMBL507146,1 +O=C1C[C@@H](c2ccccc2)Oc2cc(O)c(O)c(O)c21,CHEMBL402227,1 +O=C1Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc2-c2ccc(Cl)cc2N1,CHEMBL1945026,1 +O=C1Cc2cnc(Nc3ccc(C(=O)O)cc3)nc2-c2ccc(Cl)cc2N1,CHEMBL1945021,1 +O=C1Cc2cnc(Nc3ccc(I)cc3)nc2-c2ccc(Cl)cc2N1,CHEMBL1945022,1 +O=C1Cc2cnc(Nc3ccc(O)c(Cl)c3)nc2-c2ccccc2N1,CHEMBL598000,1 +O=C1Cc2cnc(Nc3ccc(O)c(Cl)c3)nc2-c2cnccc2N1,CHEMBL599446,1 +O=C1Cc2cnc(Nc3ccc(O)cc3)nc2-c2cnccc2N1,CHEMBL597597,1 +O=C1Cc2cnc(Nc3cccc(C(=O)NCCN4CCOCC4)c3)nc2-c2ccc(Cl)cc2N1,CHEMBL1945028,1 +O=C1Cc2cnc(Nc3cccc(C(=O)O)c3)nc2-c2ccc(Cl)cc2N1,CHEMBL1944688,1 +O=C1Cc2cnc(Nc3cccc(N4CCOCC4)c3)nc2-c2ccc(Cl)cc2N1,CHEMBL1945169,1 +O=C1Cc2cnc(Nc3cccc(O)c3)nc2-c2cnccc2N1,CHEMBL602043,1 +O=C1Cc2cnc(Nc3ccccc3)nc2-c2ccc(Cl)cc2N1,CHEMBL1944687,1 +O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,1 +O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1,CHEMBL72365,1 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+O=C(CSCC(=O)OCn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1,CHEMBL1577130,0 +O=C(CSCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,CHEMBL1902030,0 +O=C(CSCC(=O)c1ccccc1)Nc1ccccc1Cl,CHEMBL1446950,0 +O=C(CSCCc1ccccn1)Nc1ccccn1,CHEMBL1379510,0 +O=C(CSCc1c(Cl)cccc1Cl)Nc1cccnc1,CHEMBL1449662,0 +O=C(CSCc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CHEMBL1423982,0 +O=C(CSCc1ccc(F)cc1)Nc1nc2c(s1)CCCC2,CHEMBL1421216,0 +O=C(CSCc1ccccc1)NNC(=S)Nc1cccc(Cl)c1Cl,CHEMBL1537378,0 +O=C(CSCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F,CHEMBL1594409,0 +O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CHEMBL1609728,0 +O=C(CSCc1ccccc1)Nc1ccc2c(c1)OCO2,CHEMBL1450952,0 +O=C(CSCc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CHEMBL1420898,0 +O=C(CSCc1ccccc1Br)NNC(=S)NCc1ccco1,CHEMBL1342653,0 +O=C(CSCc1ccccc1Cl)N/N=C/c1ccco1,CHEMBL3196172,0 +O=C(CSCc1ccco1)c1cccs1,CHEMBL1612693,0 +O=C(CSS(=O)(=O)O)N1CCN(C(=O)c2ccoc2)CC1,CHEMBL1538592,0 +O=C(CSc1[nH]cnc2ncnc1-2)c1ccc(Cl)cc1,CHEMBL1532238,0 +O=C(CSc1c(Cl)cccc1Cl)NC1CCCc2ccccc21,CHEMBL1452862,0 +O=C(CSc1c[nH]c2ccccc12)NC1CCCC1,CHEMBL1712978,0 +O=C(CSc1c[nH]nn1)Nc1ccc(O)c(C(=O)O)c1,CHEMBL1506696,0 +O=C(CSc1c[nH]nn1)Nc1cccc(C(=O)O)c1,CHEMBL1559314,0 +O=C(CSc1c[nH]nn1)Nc1ccccc1C(=O)O,CHEMBL1340953,0 +O=C(CSc1cc(Cl)ccc1Cl)NC1CCCC1,CHEMBL1348165,0 +O=C(CSc1cc([N+](=O)[O-])cc(S(=O)(=O)Cc2ccccc2)c1)NC1CC1,CHEMBL1586786,0 +O=C(CSc1ccc(-c2ccccc2)nn1)NCC1CCCO1,CHEMBL1346669,0 +O=C(CSc1ccc(-c2ccccn2)nn1)N1CCCC1,CHEMBL1472319,0 +O=C(CSc1ccc(-c2ccco2)nn1)Nc1cccc(F)c1,CHEMBL1409197,0 +O=C(CSc1ccc(-c2ccco2)nn1)c1ccc(F)cc1,CHEMBL1506637,0 +O=C(CSc1ccc(-c2ccco2)nn1)c1ccccc1,CHEMBL1560698,0 +O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1451814,0 +O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CHEMBL1440953,0 +O=C(CSc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CHEMBL1523184,0 +O=C(CSc1ccc(Br)cc1)NC1CCCCCC1,CHEMBL1714556,0 +O=C(CSc1ccc(Br)cc1)NC1CCS(=O)(=O)C1,CHEMBL1724821,0 +O=C(CSc1ccc(Br)cc1)NCC(c1cccs1)N1CCOCC1,CHEMBL1886019,0 +O=C(CSc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1,CHEMBL1361653,0 +O=C(CSc1ccc(Cl)cc1)N1CCCC1,CHEMBL1301913,0 +O=C(CSc1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,CHEMBL1581193,0 +O=C(CSc1ccc(Cl)cc1)NC(=O)NCc1ccco1,CHEMBL1516788,0 +O=C(CSc1ccc(Cl)cc1)NC(=O)c1ccccc1,CHEMBL1571738,0 +O=C(CSc1ccc(Cl)cc1)Nc1ncccn1,CHEMBL1391242,0 +O=C(CSc1ccc(Cl)cc1)Nn1cnnc1,CHEMBL1322113,0 +O=C(CSc1ccc(Cl)cc1)c1ccco1,CHEMBL1365170,0 +O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F,CHEMBL1390964,0 +O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1,CHEMBL1732709,0 +O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1,CHEMBL1305547,0 +O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCOCC1,CHEMBL1897463,0 +O=C(CSc1ccc2c(c1)OCCO2)NC(=O)NC1CCCC1,CHEMBL1353565,0 +O=C(CSc1ccc2c(c1)OCCO2)NCC1CCCO1,CHEMBL1501214,0 +O=C(CSc1ccc2c(c1)OCCO2)NCCc1ccc(Cl)cc1Cl,CHEMBL1587572,0 +O=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1,CHEMBL1464418,0 +O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Br)cn1,CHEMBL1551023,0 +O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cn1,CHEMBL1541876,0 +O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1,CHEMBL1299814,0 +O=C(CSc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CHEMBL1369044,0 +O=C(CSc1ccc2ccccc2n1)NCCCN1CCCC1=O,CHEMBL1701810,0 +O=C(CSc1ccc2ccccc2n1)NCc1ccc2c(c1)OCO2,CHEMBL1500837,0 +O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCc2ccccc21,CHEMBL1501620,0 +O=C(CSc1cccc2cccc(Cl)c12)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1595321,0 +O=C(CSc1cccc2cccnc12)N/N=C/c1cccnc1,CHEMBL2000686,0 +O=C(CSc1cccc2cccnc12)N1CCCC1,CHEMBL1412548,0 +O=C(CSc1cccc2cccnc12)Nc1cc(C(=O)O)cc(C(=O)O)c1,CHEMBL1446785,0 +O=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CHEMBL1382320,0 +O=C(CSc1cccc2cccnc12)OCC(=O)c1ccccc1,CHEMBL1416491,0 +O=C(CSc1cccc[n+]1[O-])C12CC3CC(CC(C3)C1)C2,CHEMBL1558612,0 +O=C(CSc1cccc[n+]1[O-])c1ccc(-c2ccccc2)cc1,CHEMBL1582052,0 +O=C(CSc1cccc[n+]1[O-])c1ccc(Cl)cc1,CHEMBL1380315,0 +O=C(CSc1cccc[n+]1[O-])c1cccs1,CHEMBL1539177,0 +O=C(CSc1ccccc1)N1CCCC(Nc2ccccc2)C1,CHEMBL1522012,0 +O=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1448843,0 +O=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CHEMBL1542970,0 +O=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1,CHEMBL1368231,0 +O=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1,CHEMBL1583893,0 +O=C(CSc1ccccc1)NC1CCCCCCC1,CHEMBL1603821,0 +O=C(CSc1ccccc1)NCC(c1ccco1)N1CCCCC1,CHEMBL1437530,0 +O=C(CSc1ccccc1)NCc1ccccn1,CHEMBL1725381,0 +O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CHEMBL1328727,0 +O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CHEMBL1308922,0 +O=C(CSc1ccccc1)Nc1ccc2c(c1)OCCO2,CHEMBL1410439,0 +O=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1,CHEMBL1736510,0 +O=C(CSc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1,CHEMBL1609077,0 +O=C(CSc1ccccc1C(=O)O)NC12CC3CC(CC(C3)C1)C2,CHEMBL1727703,0 +O=C(CSc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1,CHEMBL1303633,0 +O=C(CSc1ccccc1Cl)c1ccco1,CHEMBL1492945,0 +O=C(CSc1ccccc1F)NC(=O)NCc1ccco1,CHEMBL1313909,0 +O=C(CSc1ccccc1F)NCC(c1cccs1)N1CCOCC1,CHEMBL2142448,0 +O=C(CSc1ccccn1)N1CCCC(Nc2ccccc2)C1,CHEMBL1434751,0 +O=C(CSc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL1450362,0 +O=C(CSc1ccccn1)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL1508965,0 +O=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1,CHEMBL1457298,0 +O=C(CSc1ccccn1)Nc1ccc(Cl)cn1,CHEMBL1485947,0 +O=C(CSc1ccccn1)Nc1ccc(N2CCOCC2)cc1,CHEMBL1595186,0 +O=C(CSc1ccccn1)Nc1ccc2[nH]c(O)nc2c1,CHEMBL1512886,0 +O=C(CSc1ccccn1)Nc1ccc2c(c1)CCC2,CHEMBL1355829,0 +O=C(CSc1ccccn1)Nc1cccc([N+](=O)[O-])c1,CHEMBL1463802,0 +O=C(CSc1ccccn1)Nc1cccc2ccccc12,CHEMBL1567561,0 +O=C(CSc1ccccn1)Nc1nonc1[N+](=O)[O-],CHEMBL1449349,0 +O=C(CSc1ccccn1)c1ccc(F)cc1,CHEMBL1389022,0 +O=C(CSc1ccccn1)c1ccc2c(c1)OCO2,CHEMBL1374813,0 +O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1,CHEMBL1424580,0 +O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1,CHEMBL1485475,0 +O=C(CSc1ccsc1[N+](=O)[O-])NCc1ccccc1,CHEMBL1461199,0 +O=C(CSc1ccsc1[N+](=O)[O-])NCc1ccco1,CHEMBL1421034,0 +O=C(CSc1ccsc1[N+](=O)[O-])Nc1cc(F)ccc1F,CHEMBL1419792,0 +O=C(CSc1ccsc1[N+](=O)[O-])Nc1cccc(F)c1,CHEMBL1530824,0 +O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)NCC1CCCO1,CHEMBL1424821,0 +O=C(CSc1cnc2ccccc2n1)c1ccc(F)cc1,CHEMBL1372681,0 +O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1,CHEMBL1366026,0 +O=C(CSc1n[nH]c(-c2cccnc2)n1)OC1CCCCC1,CHEMBL1733964,0 +O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccc(Br)cc1,CHEMBL1399866,0 +O=C(CSc1n[nH]c(Cc2ccccc2)n1)Nc1ccccc1Br,CHEMBL1520110,0 +O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NCc1ccco1,CHEMBL1602766,0 +O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccc(N2CCOCC2)cc1,CHEMBL1564091,0 +O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccc2c(c1)OCO2,CHEMBL1307328,0 +O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCc1ccco1,CHEMBL1400483,0 +O=C(CSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2)Nc1cccc(C(=O)O)c1,CHEMBL1370165,0 +O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)Nc1cccc(C(=O)O)c1,CHEMBL1523483,0 +O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCc1ccco1,CHEMBL1502186,0 +O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2,CHEMBL1484586,0 +O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccc(C(=O)O)cc1,CHEMBL1336680,0 +O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1,CHEMBL1377749,0 +O=C(CSc1nc(-c2ccccc2)ns1)N1CCOCC1,CHEMBL1585728,0 +O=C(CSc1nc(-c2ccccc2)ns1)NCC1CCCO1,CHEMBL1348114,0 +O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)NC1CCCCC1,CHEMBL1583638,0 +O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCCN1CCOCC1,CHEMBL1888652,0 +O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12)Nc1cc(F)ccc1F,CHEMBL1337100,0 +O=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccccc21,CHEMBL1438437,0 +O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1,CHEMBL1386288,0 +O=C(CSc1nc(O)c2c(C(F)(F)F)cc(-c3cccs3)nc2n1)NCc1ccco1,CHEMBL1448473,0 +O=C(CSc1nc(O)c2c(C(F)(F)F)cc(-c3cccs3)nc2n1)Nc1c(F)c(F)c(F)c(F)c1F,CHEMBL1462582,0 +O=C(CSc1nc(O)c2c(C(F)(F)F)cc(-c3cccs3)nc2n1)Nc1ccc(F)c(F)c1,CHEMBL1509590,0 +O=C(CSc1nc(O)c2ccccc2n1)N1CCCCCC1,CHEMBL1580189,0 +O=C(CSc1nc(O)c2cnn(-c3ccc(Cl)cc3)c2n1)N1CCCc2ccccc21,CHEMBL1389834,0 +O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N1CCOCC1,CHEMBL1388004,0 +O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,CHEMBL1486881,0 +O=C(CSc1nc(O)cc(-c2ccccc2)n1)N1CCc2ccccc21,CHEMBL1371007,0 +O=C(CSc1nc(O)nc(-c2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1,CHEMBL1478693,0 +O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc2c(c1)OCO2,CHEMBL1412621,0 +O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1557115,0 +O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1cccs1,CHEMBL1362691,0 +O=C(CSc1nc2cc(Cl)ccc2s1)c1ccco1,CHEMBL1471361,0 +O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2[nH]1)N1CCOCC1,CHEMBL1302980,0 +O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC1CCCc2ccccc21,CHEMBL1335367,0 +O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)Nc1c(F)cccc1F,CHEMBL1538087,0 +O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC1CCS(=O)(=O)C1,CHEMBL1348231,0 +O=C(CSc1nc2ccc[nH]c-2n1)NC1CCCC1,CHEMBL1417136,0 +O=C(CSc1nc2ccc[nH]c-2n1)NC1CCCCC1,CHEMBL1459375,0 +O=C(CSc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1425341,0 +O=C(CSc1nc2ccccc2[nH]1)N=Nc1c(O)[nH]c2ccccc12,CHEMBL1494823,0 +O=C(CSc1nc2ccccc2[nH]1)c1ccco1,CHEMBL1311378,0 +O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NCc1ccc2c(c1)OCO2,CHEMBL1402377,0 +O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)NCC1CCCO1,CHEMBL1351682,0 +O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(Br)cc1C(=O)O,CHEMBL1312200,0 +O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(O)c(O)c1,CHEMBL1406195,0 +O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1,CHEMBL3192159,0 +O=C(CSc1nc2ccccc2o1)c1cc2ccccc2oc1=O,CHEMBL1324794,0 +O=C(CSc1nc2ccccc2s1)N1CCCCC1,CHEMBL1500290,0 +O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1430627,0 +O=C(CSc1nc2ccccc2s1)N1CCOCC1,CHEMBL1399261,0 +O=C(CSc1nc2ccccc2s1)NC1CCS(=O)(=O)C1,CHEMBL1318942,0 +O=C(CSc1nc2ccccc2s1)NCC1CCCO1,CHEMBL1711027,0 +O=C(CSc1nc2ccccc2s1)NCc1cc([N+](=O)[O-])ccc1O,CHEMBL1474189,0 +O=C(CSc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2,CHEMBL1608961,0 +O=C(CSc1nc2ccccc2s1)NNC(=S)Nc1ccc(Br)cc1,CHEMBL1454748,0 +O=C(CSc1nc2ccccc2s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O,CHEMBL1538321,0 +O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(C(=O)O)c1,CHEMBL1311478,0 +O=C(CSc1nc2ccccc2s1)Nc1ncccn1,CHEMBL1455763,0 +O=C(CSc1nc2ccccc2s1)Nn1cnnc1,CHEMBL1578930,0 +O=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCC1,CHEMBL1425683,0 +O=C(CSc1nc2nc(O)cc(O)c2s1)Nc1nncs1,CHEMBL1717025,0 +O=C(CSc1nc[nH]n1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl,CHEMBL1527203,0 +O=C(CSc1nc[nH]n1)c1ccco1,CHEMBL1528142,0 +O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CHEMBL1467192,0 +O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCNC1=O,CHEMBL1736303,0 +O=C(CSc1nccc(-c2ccc(Br)cc2)n1)NCCc1ccccc1,CHEMBL1505103,0 +O=C(CSc1nccc(=O)[nH]1)NCc1ccco1,CHEMBL450948,0 +O=C(CSc1nccc(O)n1)N1CCN(c2ccccc2)CC1,CHEMBL1401228,0 +O=C(CSc1nccc(O)n1)Nc1ccc(F)c(Cl)c1,CHEMBL1383046,0 +O=C(CSc1nccc(O)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CHEMBL1542079,0 +O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1,CHEMBL1603051,0 +O=C(CSc1ncccc1C(=O)O)NC1CCCCCCC1,CHEMBL1721138,0 +O=C(CSc1ncccn1)c1ccccc1Br,CHEMBL1363732,0 +O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)Nc1ccccc1F,CHEMBL1736226,0 +O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)NC1CCCC1,CHEMBL1357524,0 +O=C(CSc1nccn(-c2ccc3c(c2)OCCO3)c1=O)Nc1ccccc1,CHEMBL1600507,0 +O=C(CSc1nccn(-c2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1F,CHEMBL1503601,0 +O=C(CSc1nccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1,CHEMBL1509216,0 +O=C(CSc1nccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1,CHEMBL1539107,0 +O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc2c(s1)CCCC2,CHEMBL1450470,0 +O=C(CSc1ncn(-c2ccccc2)n1)c1cccs1,CHEMBL1464256,0 +O=C(CSc1ncnc2ccccc12)c1ccco1,CHEMBL1345306,0 +O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)NNC(=O)c1ccc(Br)cc1,CHEMBL1558203,0 +O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCCC1,CHEMBL1477172,0 +O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1ccc(C(=O)O)cc1,CHEMBL1367035,0 +O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)NCCC1=CCCCC1,CHEMBL1311716,0 +O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC1CCS(=O)(=O)C1,CHEMBL1309049,0 +O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccco1,CHEMBL1419058,0 +O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1F,CHEMBL1320414,0 +O=C(CSc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2,CHEMBL1566386,0 +O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1,CHEMBL1429995,0 +O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2,CHEMBL1518117,0 +O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1,CHEMBL1525046,0 +O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(F)cc1,CHEMBL2354430,0 +O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(Cl)c1,CHEMBL1609228,0 +O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(F)c1,CHEMBL1316650,0 +O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1,CHEMBL1431490,0 +O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccccc1,CHEMBL1493100,0 +O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL1488617,0 +O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)c1ccc(F)cc1,CHEMBL1560966,0 +O=C(CSc1nnc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1,CHEMBL1308372,0 +O=C(CSc1nnc(-c2ccncc2)o1)NCc1ccccc1Cl,CHEMBL1458400,0 +O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(Br)s1,CHEMBL1715155,0 +O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1,CHEMBL1430852,0 +O=C(CSc1nnc(C2CCCCC2)n1Cc1ccccc1)NCc1ccco1,CHEMBL1576463,0 +O=C(CSc1nnc(C2COc3ccccc3O2)o1)N1CCCC1,CHEMBL1456522,0 +O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)NCc1ccc2c(c1)OCO2,CHEMBL1437839,0 +O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)Nc1nccs1,CHEMBL1576639,0 +O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccccc1,CHEMBL1442693,0 +O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(Br)cc1,CHEMBL1712873,0 +O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccccc1F,CHEMBL1465811,0 +O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccc(Cl)cc1,CHEMBL1577903,0 +O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCCc2ccccc21,CHEMBL1421301,0 +O=C(CSc1nnc(CNc2ccc(F)cc2)o1)OC1CCCCC1,CHEMBL1605814,0 +O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1)NCc1ccco1,CHEMBL1440697,0 +O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1,CHEMBL1417004,0 +O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)NC1CC2CCC1C2,CHEMBL1709980,0 +O=C(CSc1nnc(COc2ccccc2)o1)NCCc1ccccc1,CHEMBL1360339,0 +O=C(CSc1nnc(Cc2cc(O)nc(O)n2)n1-c1ccc(Cl)cc1)NC1CCCC1,CHEMBL1340247,0 +O=C(CSc1nnc(Cc2ccccc2)o1)N1CCCc2ccccc21,CHEMBL1334939,0 +O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCCc2ccccc21,CHEMBL1458374,0 +O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCOCC1,CHEMBL1500184,0 +O=C(CSc1nnc(Cn2cnc3ccccc32)o1)c1ccccc1,CHEMBL1535587,0 +O=C(CSc1nnc(Cn2nnc3ccccc32)o1)N(Cc1ccc(Cl)cc1)c1ccccc1,CHEMBL1497024,0 +O=C(CSc1nnc(NC(=O)C2CCC2)s1)NC1CC1,CHEMBL1480506,0 +O=C(CSc1nnc(NC(=O)c2ccccc2C(=O)O)s1)Nc1ccccc1Cl,CHEMBL1548470,0 +O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCC1CCCO1,CHEMBL1431663,0 +O=C(CSc1nnc(O)nc1O)N/N=C/C=C\c1ccccc1,CHEMBL3191639,0 +O=C(CSc1nnc(O)nc1O)N1CCCCCC1,CHEMBL1904526,0 +O=C(CSc1nnc(O)nc1O)Nc1ccc(SC(F)F)cc1,CHEMBL1719433,0 +O=C(CSc1nnc(O)nc1O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,CHEMBL1443570,0 +O=C(CSc1nnc(O)nc1O)c1ccccc1[N+](=O)[O-],CHEMBL1372604,0 +O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1,CHEMBL1604803,0 +O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(C(=O)O)cc1,CHEMBL3190168,0 +O=C(CSc1nnc(SCc2cccc3ccccc23)s1)Nc1ccc(C(=O)O)cc1,CHEMBL1603918,0 +O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C=C/c1ccco1,CHEMBL3190893,0 +O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C=C\c1ccco1,CHEMBL3199590,0 +O=C(CSc1nnc(SCc2ccccc2)s1)NNC(=S)Nc1ccccc1,CHEMBL1360190,0 +O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1F,CHEMBL1562974,0 +O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)N1CCCC1,CHEMBL1524938,0 +O=C(CSc1nnc2sc3ccccc3n12)c1ccco1,CHEMBL1338413,0 +O=C(CSc1nnc[nH]1)c1ccc2c(c1)OCCO2,CHEMBL466933,0 +O=C(CSc1nncc(O)n1)NCc1ccccc1,CHEMBL1698908,0 +O=C(CSc1nncc(O)n1)Nc1cccc([N+](=O)[O-])c1,CHEMBL1350250,0 +O=C(CSc1nncc2ccccc12)Nc1cccc(C(=O)O)c1,CHEMBL1453129,0 +O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1,CHEMBL1519300,0 +O=C(CSc1nncn1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1,CHEMBL1359877,0 +O=C(CSc1nnnn1-c1ccc(F)cc1)NC1CCCCC1,CHEMBL1338301,0 +O=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCCC1,CHEMBL1328628,0 +O=C(CSc1nnnn1C1CCCC1)c1ccc2c(c1)OCCO2,CHEMBL1411288,0 +O=C(CSc1nnnn1C1CCCCC1)N1CCOCC1,CHEMBL1367726,0 +O=C(CSc1nnnn1C1CCCCC1)Nc1cccc(NC(=O)c2ccco2)c1,CHEMBL1305940,0 +O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1,CHEMBL1409098,0 +O=C(C[N+]12CC[N+](CC(=O)c3ccc(F)cc3)(CC1)CC2)c1ccc(F)cc1,CHEMBL1790003,0 +O=C(C[S+]([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1,CHEMBL1420129,0 +O=C(C[S+]([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1,CHEMBL1372179,0 +O=C(C[n+]1cc(Br)cc2ccccc21)c1ccc(Cl)cc1,CHEMBL1438127,0 +O=C(C[n+]1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1,CHEMBL1412385,0 +O=C(C[n+]1ccc(CCSc2ccc(F)cc2)cc1)c1ccccc1,CHEMBL1494737,0 +O=C(C[n+]1ccc(Cc2ccccc2)cc1)Nc1ccccc1,CHEMBL1583155,0 +O=C(C[n+]1ccc2ccccc2c1)c1cccc2ccccc12,CHEMBL1404689,0 +O=C(C[n+]1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1,CHEMBL1493331,0 +O=C(C[n+]1ccccc1)N/N=C/c1ccccc1F,CHEMBL3190836,0 +O=C(C[n+]1ccccc1)NN=Cc1ccc(O)cc1,CHEMBL1385571,0 +O=C(C[n+]1ccccc1CCSc1ccc([N+](=O)[O-])cc1)c1ccccc1,CHEMBL1379112,0 +O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(Br)cc1,CHEMBL1328629,0 +O=C(C[n+]1nc(CNc2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(Cl)cc1,CHEMBL1548608,0 +O=C(Cc1c(Cl)cccc1Cl)NC1CC1,CHEMBL1576038,0 +O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccs1,CHEMBL1736804,0 +O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl,CHEMBL1336549,0 +O=C(Cc1cc(O)[nH]n1)N/N=C/C=C/c1ccccc1,CHEMBL2094422,0 +O=C(Cc1cc(O)n[nH]1)N/N=C/c1c(Cl)cccc1Cl,CHEMBL3191438,0 +O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccccc1Cl,CHEMBL3196913,0 +O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1,CHEMBL571546,0 +O=C(Cc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)c1ccccc1,CHEMBL1377567,0 +O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CHEMBL1386536,0 +O=C(Cc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1337833,0 +O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1,CHEMBL1438229,0 +O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCN(c2ccccc2)CC1,CHEMBL1401605,0 +O=C(Cc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O,CHEMBL1490397,0 +O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnccn1,CHEMBL1430246,0 +O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2,CHEMBL2003482,0 +O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CHEMBL1603986,0 +O=C(Cc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1421574,0 +O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1,CHEMBL1486842,0 +O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21,CHEMBL1505328,0 +O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccncc2)CC1(O)C(F)(F)F,CHEMBL1389351,0 +O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2ccccc2c1,CHEMBL1440681,0 +O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br,CHEMBL1418803,0 +O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Cl,CHEMBL1324417,0 +O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)n[nH]1,CHEMBL115220,0 +O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1,CHEMBL1546651,0 +O=C(Cc1cccc(F)c1)N1CCOCC1,CHEMBL2360751,0 +O=C(Cc1cccc(F)c1F)NC1CCCN(Cc2ccc(Cl)cc2)C1,CHEMBL1700642,0 +O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4245242,0 +O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4251324,0 +O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4245507,0 +O=C(Cc1cccc2ccccc12)NC(=S)Nc1cccc(C(=O)O)c1,CHEMBL1413708,0 +O=C(Cc1cccc2ccccc12)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl,CHEMBL1351293,0 +O=C(Cc1cccc2ccccc12)Nc1ccc(O)cc1C(=O)O,CHEMBL1310151,0 +O=C(Cc1cccc2cnccc12)Nc1scc(Cl)c1-c1ncn[nH]1,CHEMBL1682017,0 +O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,CHEMBL1991673,0 +O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1,CHEMBL3194655,0 +O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1,CHEMBL1417546,0 +O=C(Cc1ccccc1)NC(NNc1ccccc1)(C(F)(F)F)C(F)(F)F,CHEMBL1537510,0 +O=C(Cc1ccccc1)NC(Oc1ccccc1Cl)C(Cl)(Cl)Cl,CHEMBL1324923,0 +O=C(Cc1ccccc1)NC1CCN(C(=O)NCc2ccccc2)CC1,CHEMBL1535575,0 +O=C(Cc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1Cl,CHEMBL1432970,0 +O=C(Cc1ccccc1)NCc1ccc(-n2cccc2)cc1,CHEMBL1353858,0 +O=C(Cc1ccccc1)NCc1nnc(S)n1-c1ccc(Br)cc1,CHEMBL1519425,0 +O=C(Cc1ccccc1)NCc1nnc(S)n1-c1ccccc1,CHEMBL1410396,0 +O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,CHEMBL1090356,0 +O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,CHEMBL1991429,0 +O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,CHEMBL1090360,0 +O=C(Cc1ccccc1)Nc1cccc(N2C(=O)C=CC2=O)c1,CHEMBL1426411,0 +O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1,CHEMBL1534176,0 +O=C(Cc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1,CHEMBL1579603,0 +O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccccc1,CHEMBL1545482,0 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+O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl,CHEMBL445813,0 +O=C(NC1CCS(=O)(=O)C1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL1410720,0 +O=C(NC1CCS(=O)(=O)C1)Oc1ccccc1,CHEMBL1548365,0 +O=C(NC1CCSC1=O)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1,CHEMBL1555616,0 +O=C(NC1c2ccccc2-c2ccccc21)C(c1ccccc1)C1CCCC1,CHEMBL1585331,0 +O=C(NC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1,CHEMBL1428734,0 +O=C(NC1c2ccccc2-c2ccccc21)N1CCOCC1,CHEMBL1381883,0 +O=C(NC1c2ccccc2-c2ccccc21)c1ccccc1,CHEMBL1327189,0 +O=C(NC1c2ccccc2-c2ccccc21)c1ccco1,CHEMBL1485190,0 +O=C(NCC#CCOCc1ccccc1)c1ccccc1,CHEMBL1568205,0 +O=C(NCC(=O)N(CCN1CCOCC1)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1,CHEMBL1484268,0 +O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,CHEMBL1302872,0 +O=C(NCC(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,CHEMBL1873748,0 +O=C(NCC(=O)N1CCCCCC1)c1ccc(Cl)cc1,CHEMBL1313535,0 +O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1,CHEMBL1421639,0 +O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1,CHEMBL4569508,0 +O=C(NCC1CC1)c1ccc(Nc2nc3cc(Br)ccc3[nH]2)cc1,CHEMBL1540947,0 +O=C(NCC1CC1)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCC1CC1,CHEMBL1593676,0 +O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,0 +O=C(NCC1CCCN(Cc2ccc3nonc3c2)C1)c1ccc(F)cc1,CHEMBL1449596,0 +O=C(NCC1CCCO1)/C(=C/c1ccccc1)NC(=O)c1ccccc1,CHEMBL1584313,0 +O=C(NCC1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1,CHEMBL3195253,0 +O=C(NCC1CCCO1)C(Cc1ccccc1)N1C(=O)C2C3C=CC(C4CC34)C2C1=O,CHEMBL1898140,0 +O=C(NCC1CCCO1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,CHEMBL1595918,0 +O=C(NCC1CCCO1)[C@@H]1CSC2c3ccccc3C(=O)N21,CHEMBL1349665,0 +O=C(NCC1CCCO1)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1390729,0 +O=C(NCC1CCCO1)c1ccc(/C=N/O)nc1,CHEMBL3194757,0 +O=C(NCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2,CHEMBL1344496,0 +O=C(NCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],CHEMBL1546163,0 +O=C(NCC1CCCO1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O,CHEMBL1734889,0 +O=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1,CHEMBL2141168,0 +O=C(NCC1CCCO1)c1onc(CSc2cccc3ccccc23)c1C(=O)O,CHEMBL1446255,0 +O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CHEMBL1534471,0 +O=C(NCCCC1CCCCC1)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1,CHEMBL4531775,0 +O=C(NCCCCCCNC(=O)Nc1cccnc1)Nc1cccnc1,CHEMBL1998193,0 +O=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO,CHEMBL1558098,0 +O=C(NCCCCc1ccccc1)c1cccc(NC(=O)C2CC2)c1,CHEMBL1711075,0 +O=C(NCCCN1CCCC1=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,CHEMBL1421687,0 +O=C(NCCCN1CCCCC1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1,CHEMBL1713079,0 +O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc2c(c1)OCO2,CHEMBL3189695,0 +O=C(NCCCN1CCOCC1)c1ccc(CSc2ccc(Cl)cc2)cc1,CHEMBL1313848,0 +O=C(NCCCN1CCOCC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl,CHEMBL1426134,0 +O=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Br)cc1,CHEMBL1587251,0 +O=C(NCCCNC(=O)c1cccs1)c1cccs1,CHEMBL1340928,0 +O=C(NCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1,CHEMBL1566832,0 +O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1,CHEMBL577784,0 +O=C(NCCC[C@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)C1CCC1,CHEMBL1393169,0 +O=C(NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccc(O)cc2)N1CCc1ccc(Cl)c(Cl)c1)C1CCC1,CHEMBL1343416,0 +O=C(NCCCc1ccccc1)c1cc(COc2ccc(F)cc2Cl)on1,CHEMBL1486094,0 +O=C(NCCCc1ccccc1)c1ccncc1,CHEMBL1485954,0 +O=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2,CHEMBL1407154,0 +O=C(NCCCc1ccncc1)C1CCC(=O)N(Cc2cccc(F)c2)C1,CHEMBL1901949,0 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCCN1,CHEMBL4786323,0 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCNC1,CHEMBL4754165,0 +O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCNCC1,CHEMBL4797067,0 +O=C(NCCCn1ccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1,CHEMBL1465222,0 +O=C(NCCCn1ccnc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1,CHEMBL1715168,0 +O=C(NCCCn1ccnc1)C(=O)Nc1ccccc1,CHEMBL1722446,0 +O=C(NCCCn1ccnc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,CHEMBL1412803,0 +O=C(NCCCn1ccnc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1,CHEMBL1346289,0 +O=C(NCCF)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12,CHEMBL1571367,0 +O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CHEMBL1588079,0 +O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)C1=COCCO1,CHEMBL1301251,0 +O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CC(=O)N(Cc2ccco2)C1,CHEMBL1596125,0 +O=C(NCCN1CCCCCC1)c1ccc(N2CCCC2=O)cc1,CHEMBL1603835,0 +O=C(NCCN1CCN(c2ccccc2)CC1)c1ccccc1F,CHEMBL1334345,0 +O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2,CHEMBL1509432,0 +O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2,CHEMBL1549897,0 +O=C(NCCNC(=O)Oc1cccc2ccccc12)Oc1cccc2ccccc12,CHEMBL1721616,0 +O=C(NCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1,CHEMBL1540882,0 +O=C(NCCNC(=O)c1ccccc1Cl)c1ccco1,CHEMBL1711043,0 +O=C(NCCNCc1cccc(Cl)c1)c1ccco1,CHEMBL3192983,0 +O=C(NCCNCc1ccccc1)c1ccco1,CHEMBL3190055,0 +O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccco1,CHEMBL1608544,0 +O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1,CHEMBL2348417,0 +O=C(NCCO)c1cc2c(s1)CCC2,CHEMBL1386135,0 +O=C(NCCO)c1cc2cc(Cl)cc(Cl)c2oc1=O,CHEMBL1328680,0 +O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12,CHEMBL4860630,0 +O=C(NCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1334452,0 +O=C(NCCO)c1nsnc1NCCCl,CHEMBL1603519,0 +O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Br)o1,CHEMBL1445517,0 +O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,CHEMBL1385714,0 +O=C(NCCSCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CHEMBL1467053,0 +O=C(NCCSc1ccc(Br)cc1)c1ccccc1,CHEMBL1425660,0 +O=C(NCCSc1ccccn1)c1ccc(Cl)cc1Cl,CHEMBL1549852,0 +O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1,CHEMBL1548001,0 +O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,CHEMBL1300535,0 +O=C(NCCc1ccc(Cl)cc1)Nc1ccc(F)cc1,CHEMBL1890024,0 +O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccccn2)nc2ccccc12,CHEMBL1519158,0 +O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S+]([O-])Cc2ccc(Cl)cc2)o1,CHEMBL1594275,0 +O=C(NCCc1ccc(F)cc1)N1CCOCC1,CHEMBL1406187,0 +O=C(NCCc1ccc(F)cc1)Nc1ccc2c(c1)OCO2,CHEMBL1375456,0 +O=C(NCCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O,CHEMBL1590632,0 +O=C(NCCc1cccc(F)c1)[C@@H]1CSC2c3ccccc3C(=O)N21,CHEMBL1501614,0 +O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(F)cc1,CHEMBL1459806,0 +O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CHEMBL1364964,0 +O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21,CHEMBL602314,0 +O=C(NCCc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1,CHEMBL1702334,0 +O=C(NCCc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1,CHEMBL197923,0 +O=C(NCCc1ccccc1)c1ccc2c(=O)[nH]c3c(C(=O)NCC4CCCO4)sc(=S)n3c2c1,CHEMBL1337189,0 +O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],CHEMBL1354061,0 +O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1448985,0 +O=C(NCCc1ccccc1)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1,CHEMBL1589673,0 +O=C(NCCc1ccccc1F)C(=O)Nc1nccs1,CHEMBL1534044,0 +O=C(NCCc1ccccc1F)C1CCC(=O)N(Cc2ccccc2F)C1,CHEMBL1535830,0 +O=C(NCCc1ccccc1F)c1ccc2c(c1)OCCO2,CHEMBL1384292,0 +O=C(NCCc1cn[nH]c1)C1CCC(=O)N(CCc2cccc(F)c2)C1,CHEMBL1451651,0 +O=C(NCCc1csc(-c2ccccc2)n1)c1ccco1,CHEMBL1541044,0 +O=C(NCSc1ccccc1)c1ccccc1,CHEMBL1333152,0 +O=C(NCSc1ccncn1)c1ccccc1,CHEMBL1584444,0 +O=C(NC[C@@H]1[C@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]12)c1ccc2[nH]nnc2c1,CHEMBL4165749,0 +O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F,CHEMBL2107832,0 +O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O,CHEMBL1715030,0 +O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O,CHEMBL1733766,0 +O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1,CHEMBL1970709,0 +O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1,CHEMBL1981782,0 +O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CHEMBL1458658,0 +O=C(NCc1ccc(Cl)cc1)NCC(F)(F)F,CHEMBL1407768,0 +O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ncc12,CHEMBL1977713,0 +O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,0 +O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-],CHEMBL1308884,0 +O=C(NCc1ccc(Cl)cc1)c1ccc2[nH]cnc2c1,CHEMBL1370429,0 +O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,CHEMBL1440133,0 +O=C(NCc1ccc(Cl)cc1)c1cccnc1,CHEMBL1412251,0 +O=C(NCc1ccc(Cl)cc1)c1csc(-c2cccnc2)n1,CHEMBL1429965,0 +O=C(NCc1ccc(Cl)cc1)c1n[nH]c([N+](=O)[O-])c1Cl,CHEMBL1342833,0 +O=C(NCc1ccc(F)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1,CHEMBL1567501,0 +O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1,CHEMBL1411795,0 +O=C(NCc1ccc(F)cc1)C1CCN(c2cnccn2)CC1,CHEMBL1556339,0 +O=C(NCc1ccc(F)cc1)c1c2c(nc3ccccc13)CCC2,CHEMBL1523644,0 +O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1cccnc1)C2,CHEMBL1498049,0 +O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O,CHEMBL1727779,0 +O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccc(N3CCC(N4CCCCC4)CC3)cc1S2(=O)=O,CHEMBL1970313,0 +O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccc(N3CCOCC3)cc1S2(=O)=O,CHEMBL1726773,0 +O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,CHEMBL1329003,0 +O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(O)cc2)C1,CHEMBL3188515,0 +O=C(NCc1ccc2c(c1)OCO2)C1CCCCC1,CHEMBL1312982,0 +O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CHEMBL1491678,0 +O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1,CHEMBL1735407,0 +O=C(NCc1ccc2c(c1)OCO2)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl,CHEMBL1585742,0 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+O=C(Nc1c(O)n[nH]c1-c1ccccc1)c1ccccc1,CHEMBL3182417,0 +O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1,CHEMBL495727,0 +O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1cccc(F)c1,CHEMBL1474580,0 +O=C(Nc1cc(-c2cn(CCNc3c4c(nc5ccccc35)CCCC4)nn2)ccn1)Nc1cccc2c1C1CCCCN1C2=O,CHEMBL4559936,0 +O=C(Nc1cc(C(=O)Nc2ccccc2C(=O)O)cc(C(=O)Nc2ccccc2C(=O)O)c1)c1ccccc1,CHEMBL1327017,0 +O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O,CHEMBL536151,0 +O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12,CHEMBL498112,0 +O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1c(F)c(F)c(F)c(F)c1F,CHEMBL1609313,0 +O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1,CHEMBL79004,0 +O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1,CHEMBL1904901,0 +O=C(Nc1cc(F)cc(F)c1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1,CHEMBL1578643,0 +O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(F)cc1,CHEMBL1368552,0 +O=C(Nc1cc(N2CCCCC2)ncn1)c1ccccc1,CHEMBL1393367,0 +O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1,CHEMBL3818173,0 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+O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1,CHEMBL1505187,0 +O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CHEMBL1389785,0 +O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccco1,CHEMBL1576180,0 +O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1,CHEMBL1437208,0 +O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1Cl,CHEMBL1344059,0 +O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CHEMBL1566720,0 +O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1,CHEMBL1468432,0 +O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F,CHEMBL4750196,0 +O=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccc(Cl)cc1,CHEMBL1462808,0 +O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C(NC1CC1)c1ccccc1,CHEMBL1084106,0 +O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1,CHEMBL2000801,0 +O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1,CHEMBL3545328,0 +O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3[nH]2)cc1)c1cccs1,CHEMBL600336,0 +O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,CHEMBL1585309,0 +O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccco1,CHEMBL1429397,0 +O=C(Nc1ccc(-c2nnc(S)o2)cc1)c1cccc(Br)c1,CHEMBL1590193,0 +O=C(Nc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1O,CHEMBL1306524,0 +O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CHEMBL1444905,0 +O=C(Nc1ccc(Br)cc1)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1,CHEMBL1550963,0 +O=C(Nc1ccc(Br)cc1)c1nscc1NCc1ccncc1,CHEMBL473288,0 +O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,CHEMBL1353506,0 +O=C(Nc1ccc(Br)cc1Cl)c1cnccn1,CHEMBL1438369,0 +O=C(Nc1ccc(Br)cc1F)c1ccc2nsnc2c1,CHEMBL1427640,0 +O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)C1=CSCCO1,CHEMBL1502316,0 +O=C(Nc1ccc(C(=O)O)cc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(Br)cc1,CHEMBL1543206,0 +O=C(Nc1ccc(C(=O)O)cc1)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1,CHEMBL1462524,0 +O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1,CHEMBL1608335,0 +O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccco1)NC(=O)c1ccc(Br)o1,CHEMBL1322912,0 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+O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Sc1ncc([N+](=O)[O-])s1,CHEMBL1493199,0 +O=C(Nc1ccc(Cl)cc1)Nc1cnccn1,CHEMBL1388748,0 +O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccccc1Cl)N1CCOCC1,CHEMBL1384711,0 +O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21,CHEMBL1467360,0 +O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1,CHEMBL101683,0 +O=C(Nc1ccc(Cl)cc1)c1nscc1NCc1ccncc1,CHEMBL475709,0 +O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1,CHEMBL1458659,0 +O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,CHEMBL1577622,0 +O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl,CHEMBL1400887,0 +O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)C=CC2=O)c1,CHEMBL1488095,0 +O=C(Nc1ccc(Cl)cc1F)c1ccccc1Br,CHEMBL1369876,0 +O=C(Nc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-],CHEMBL1418638,0 +O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cn1,CHEMBL1699725,0 +O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1,CHEMBL1476255,0 +O=C(Nc1ccc(F)cc1)N1CCc2ccccc2C1,CHEMBL1438026,0 +O=C(Nc1ccc(F)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1,CHEMBL1347861,0 +O=C(Nc1ccc(F)cc1)Nc1nnc(Cc2ccccc2F)s1,CHEMBL1307061,0 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+O=C(Nc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CHEMBL1704051,0 +O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1,CHEMBL1495651,0 +O=C(Nc1ccc(OC(F)(F)F)cc1)c1nscc1NCc1ccncc1,CHEMBL516243,0 +O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12,CHEMBL1614710,0 +O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O,CHEMBL287542,0 +O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@H]1c1ccc(F)cc1,CHEMBL4592872,0 +O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1,CHEMBL1432046,0 +O=C(Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccccc4)nc3c2)cc1)Nc1cc(C(F)(F)F)ccc1F,CHEMBL1909374,0 +O=C(Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccco4)nc3c2)cc1)Nc1cc(C(F)(F)F)ccc1F,CHEMBL1909368,0 +O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL2047981,0 +O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL2332840,0 +O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC(=O)N(c2ccccc2)C1,CHEMBL1390862,0 +O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl,CHEMBL1339369,0 +O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F,CHEMBL1345891,0 +O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL1724398,0 +O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1cc(F)c(F)cc1Cl,CHEMBL1708584,0 +O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,CHEMBL1523328,0 +O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1Cl,CHEMBL1447451,0 +O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CHEMBL1424140,0 +O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1,CHEMBL1301400,0 +O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccccc2)nc2ccccc12,CHEMBL1534425,0 +O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12,CHEMBL1561234,0 +O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(O)nc1,CHEMBL1499783,0 +O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nn(-c2ccc(F)cc2)ccc1=O,CHEMBL1319332,0 +O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nn(-c2ccccc2)ccc1=O,CHEMBL1597782,0 +O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1,CHEMBL1350980,0 +O=C(Nc1ccc([N+](=O)[O-])cc1)C(Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O,CHEMBL1455309,0 +O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(O)nc2c1,CHEMBL1586308,0 +O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2,CHEMBL1303501,0 +O=C(Nc1ccc2[nH]c(O)nc2c1)c1ccccc1F,CHEMBL1532518,0 +O=C(Nc1ccc2[nH]nc(-c3ccc4[nH]ccc4c3)c2c1)c1c(Cl)cccc1Cl,CHEMBL4517719,0 +O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)cc1,CHEMBL1973808,0 +O=C(Nc1ccc2[nH]ncc2c1)c1cccc(F)c1,CHEMBL1461728,0 +O=C(Nc1ccc2c(c1)CCC2)c1cnc(Cl)c(Cl)c1,CHEMBL1495537,0 +O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,CHEMBL1370428,0 +O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1cccc(F)c1,CHEMBL1518083,0 +O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1,CHEMBL1310261,0 +O=C(Nc1ccc2c(c1)CN(Cc1ccc(CO)o1)CC2)c1ccc(C(F)(F)F)cc1,CHEMBL1711602,0 +O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1,CHEMBL1336350,0 +O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ncccn2)CC1,CHEMBL1374762,0 +O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1F,CHEMBL1501480,0 +O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1,CHEMBL1455387,0 +O=C(Nc1ccc2c(c1)OCO2)Oc1ccccc1,CHEMBL1522607,0 +O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccco1,CHEMBL1557315,0 +O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC1,CHEMBL1531392,0 +O=C(Nc1ccc2c[nH]nc2c1)c1c(Cl)cccc1Cl,CHEMBL1300224,0 +O=C(Nc1ccc2ccccc2n1)c1nscc1NCc1ccncc1,CHEMBL474709,0 +O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)cc1,CHEMBL1972489,0 +O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ccccn2)CC1,CHEMBL1381310,0 +O=C(Nc1ccc2nc(S)sc2c1)Nc1ccccc1F,CHEMBL1447210,0 +O=C(Nc1ccc2nc(S)sc2c1)c1ccccc1,CHEMBL1500876,0 +O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cccnc1Cl,CHEMBL1732304,0 +O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)N1CCN(c2ccc(F)cc2)CC1,CHEMBL548629,0 +O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)N1CCN(c2ccccc2F)CC1,CHEMBL1511088,0 +O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1c(F)ccc([N+](=O)[O-])c1F,CHEMBL1308497,0 +O=C(Nc1ccc2ncccc2c1)c1ccccc1Br,CHEMBL1474683,0 +O=C(Nc1ccc2nccnc2c1)Nc1ccccc1Cl,CHEMBL1545215,0 +O=C(Nc1ccc2nccnc2c1)c1ccco1,CHEMBL1465699,0 +O=C(Nc1ccc2nccnc2c1)c1cnccn1,CHEMBL1526686,0 +O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccs1,CHEMBL1449627,0 +O=C(Nc1ccc2oc(=O)c(C(=O)O)cc2c1)Oc1ccccc1,CHEMBL1325749,0 +O=C(Nc1ccc2snnc2c1)Nc1cccc2ccccc12,CHEMBL1536588,0 +O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(C(F)(F)F)c1,CHEMBL1089082,0 +O=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)c1ccccc1,CHEMBL1583060,0 +O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1,CHEMBL1560062,0 +O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc2c(c1)OCO2,CHEMBL1710670,0 +O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,CHEMBL2006715,0 +O=C(Nc1cccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1,CHEMBL1084450,0 +O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1Cl,CHEMBL1542173,0 +O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccco1,CHEMBL1870697,0 +O=C(Nc1cccc(Br)c1)c1nscc1NCCc1ccc2c(c1)OCO2,CHEMBL462528,0 +O=C(Nc1cccc(Br)c1)c1nscc1NCc1ccc2ccccc2n1,CHEMBL458532,0 +O=C(Nc1cccc(Br)c1)c1nscc1NCc1ccnc2ccccc12,CHEMBL517399,0 +O=C(Nc1cccc(Br)c1)c1nscc1NCc1ccncc1,CHEMBL473287,0 +O=C(Nc1cccc(Br)c1)c1nscc1NCc1cnoc1,CHEMBL512380,0 +O=C(Nc1cccc(C(=O)O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1,CHEMBL1428695,0 +O=C(Nc1cccc(C(F)(F)F)c1)C(Sc1ncnc2ccccc12)c1ccccc1,CHEMBL1312005,0 +O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1,CHEMBL1706792,0 +O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CHEMBL1490797,0 +O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccccc1N1CCOCC1,CHEMBL1460590,0 +O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1548822,0 +O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCCc1ccc2c(c1)OCO2,CHEMBL462527,0 +O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1cccnc1,CHEMBL514986,0 +O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccnc2ccccc12,CHEMBL458531,0 +O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccncc1,CHEMBL515880,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1980142,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)cccc12,CHEMBL1980540,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,CHEMBL1966816,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL1973483,0 +O=C(Nc1cccc(Cl)c1)N1CCCC1,CHEMBL1327327,0 +O=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1,CHEMBL1439063,0 +O=C(Nc1cccc(Cl)c1)Nc1ccc(-c2ccnc(NCC3CC3)c2)c(C(F)(F)F)c1,CHEMBL4277313,0 +O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,0 +O=C(Nc1cccc(Cl)c1)O/N=C\c1ccncc1,CHEMBL3198758,0 +O=C(Nc1cccc(Cl)c1)c1cc(N=Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O,CHEMBL1490692,0 +O=C(Nc1cccc(Cl)c1)c1cccnn1,CHEMBL1551329,0 +O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2c(c1)OCCO2,CHEMBL1333130,0 +O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,CHEMBL1577149,0 +O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CHEMBL1393235,0 +O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccccc2Cl)CC1,CHEMBL1608048,0 +O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1,CHEMBL1557789,0 +O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,0 +O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])n1)c1ccccc1[N+](=O)[O-],CHEMBL1300933,0 +O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1,CHEMBL387187,0 +O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,CHEMBL383899,0 +O=C(Nc1cccc(OC(F)(F)F)c1)c1nscc1NCc1ccncc1,CHEMBL475509,0 +O=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccc(-c2ccccc2)cc1,CHEMBL1462687,0 +O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(-c2ccco2)nc2ccccc12,CHEMBL1373095,0 +O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc2ccccc2n1,CHEMBL1506548,0 +O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccco1,CHEMBL1726564,0 +O=C(Nc1cccc([C@@H]2CN(c3ncnc4[nH]ccc34)CCN2CCO)c1)Nc1c(F)cccc1N1CCCC1,CHEMBL4564973,0 +O=C(Nc1cccc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccc1N1CCCC1,CHEMBL4555459,0 +O=C(Nc1cccc([N+](=O)[O-])c1)ONC1=NCCCCC1,CHEMBL1418077,0 +O=C(Nc1cccc2nsnc12)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O,CHEMBL137722,0 +O=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccccc1,CHEMBL1483175,0 +O=C(Nc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1,CHEMBL1404106,0 +O=C(Nc1ccccc1)C(Cl)C(=O)c1ccccc1,CHEMBL1538339,0 +O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O,CHEMBL1311185,0 +O=C(Nc1ccccc1)C1CC(O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CHEMBL1340345,0 +O=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-],CHEMBL1544805,0 +O=C(Nc1ccccc1)C1CCN(c2nccs2)CC1,CHEMBL1327271,0 +O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CHEMBL1585451,0 +O=C(Nc1ccccc1)N1N=CCC1c1ccccc1,CHEMBL1333036,0 +O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1,CHEMBL1562395,0 +O=C(Nc1ccccc1)Nc1ccc(O)c2ccccc12,CHEMBL1730123,0 +O=C(Nc1ccccc1)Nc1ccc2ocnc2c1,CHEMBL1490615,0 +O=C(Nc1ccccc1)Nc1ccccc1,CHEMBL354676,0 +O=C(Nc1ccccc1)Nc1ccccn1,CHEMBL143703,0 +O=C(Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1461972,0 +O=C(Nc1ccccc1)Nc1nncs1,CHEMBL1449262,0 +O=C(Nc1ccccc1)O/N=C/c1ccncc1,CHEMBL1992088,0 +O=C(Nc1ccccc1)Oc1cccnc1O,CHEMBL1412043,0 +O=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)no1,CHEMBL1308391,0 +O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)Nc2ccccn2)c1,CHEMBL1413970,0 +O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2)nc1,CHEMBL1378530,0 +O=C(Nc1ccccc1)c1ccc(COc2ccccc2)cc1,CHEMBL1522424,0 +O=C(Nc1ccccc1)c1ccc(CSc2ccccn2)cc1,CHEMBL1478916,0 +O=C(Nc1ccccc1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1,CHEMBL1499361,0 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+S=C(NCC1CCCO1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,CHEMBL1348131,0 +S=C(NCC1CCCO1)Nc1ccc(Cl)c(Cl)c1,CHEMBL1429843,0 +S=C(NCC1CCCO1)Nc1ccc(Cl)cc1Cl,CHEMBL1482427,0 +S=C(NCC1CCCO1)Nc1ccc(Nc2ccccc2)cc1,CHEMBL1556157,0 +S=C(NCC1CCCO1)c1ccc(Br)cc1,CHEMBL1522908,0 +S=C(NCCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL1545871,0 +S=C(NCCCN1CCOCC1)NCCCN1CCOCC1,CHEMBL1471409,0 +S=C(NCCCN1CCOCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,CHEMBL1500616,0 +S=C(NCCCN1CCOCC1)Nc1ccc(Cl)cc1Cl,CHEMBL1320509,0 +S=C(NCCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1,CHEMBL1539133,0 +S=C(NCCCN1CCOCC1)Nc1cccc(-c2nnc3n2CCCCC3)c1,CHEMBL1467122,0 +S=C(NCCN1CCOCC1)C(=S)NCCN1CCOCC1,CHEMBL1719429,0 +S=C(NCCc1c[nH]c2ccccc12)NC1CCCCC1,CHEMBL1452287,0 +S=C(NCCc1ccccc1)NN=C1CCCCCC1,CHEMBL1400824,0 +S=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl,CHEMBL1408579,0 +S=C(NCCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1,CHEMBL1376213,0 +S=C(NCCc1ccccc1)Nc1nccs1,CHEMBL33981,0 +S=C(NCc1ccc(Cl)c(Cl)c1)NCc1ccco1,CHEMBL1548076,0 +S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1,CHEMBL2103851,0 +S=C(NCc1cccc(Cl)c1)NCc1ccco1,CHEMBL1429715,0 +S=C(NCc1ccccc1)C(=S)NCc1ccccc1,CHEMBL1736190,0 +S=C(NCc1ccccc1)N1CCN(C2CCCCC2)CC1,CHEMBL1866448,0 +S=C(NCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL1350286,0 +S=C(NCc1ccccc1)N1CCn2cccc2C1c1ccncc1,CHEMBL1468411,0 +S=C(NCc1ccccc1)NC1CCCc2ccccc21,CHEMBL1536982,0 +S=C(NCc1ccccc1)NCc1ccco1,CHEMBL1432097,0 +S=C(NCc1ccccc1)NNc1ccccc1,CHEMBL164968,0 +S=C(NCc1ccccc1)NNc1nc2ccccc2[nH]1,CHEMBL1381472,0 +S=C(NCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1,CHEMBL1413175,0 +S=C(NCc1ccccc1)Nc1cccc2cnccc12,CHEMBL1382381,0 +S=C(NCc1ccco1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,CHEMBL1371448,0 +S=C(NCc1ccco1)NCc1ccco1,CHEMBL1733141,0 +S=C(NCc1ccco1)Nc1ccc(Br)cn1,CHEMBL1527312,0 +S=C(NCc1ccco1)Nc1ccc(Cl)cn1,CHEMBL1570490,0 +S=C(NCc1ccco1)Nc1ccc(N2CCOCC2)cc1,CHEMBL1307724,0 +S=C(NCc1ccco1)Nc1ccc2c(c1)OCCO2,CHEMBL1453995,0 +S=C(NCc1cccs1)Nc1cccc2ccccc12,CHEMBL1407520,0 +S=C(NNC(=S)Nc1ccc(Cl)cc1)NNc1ccccc1,CHEMBL1866349,0 +S=C(NNC(=S)Nc1ccccc1)Nc1ccccc1,CHEMBL1342313,0 +S=C(NNc1ccnc2cc(Cl)ccc12)Nc1ccc(Cl)cc1Cl,CHEMBL1374797,0 +S=C(Nc1cc(Cl)ccc1Cl)Nn1cnnc1,CHEMBL1534622,0 +S=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1cccnc1,CHEMBL1588906,0 +S=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1,CHEMBL1331784,0 +S=C(Nc1ccc(CN2CCCCC2)cc1)Nc1cccc(Cl)c1Cl,CHEMBL1547099,0 +S=C(Nc1ccc(Cl)cc1Cl)NC1CCN(Cc2ccccc2)CC1,CHEMBL1380895,0 +S=C(Nc1ccc(Cl)cc1Cl)Nn1cnnc1,CHEMBL1341182,0 +S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CHEMBL1311198,0 +S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCCCCC1,CHEMBL1548862,0 +S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCCN1CCOCC1)Cc1ccccn1,CHEMBL1387415,0 +S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccn2)CC1,CHEMBL1536767,0 +S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccnc1,CHEMBL1299365,0 +S=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Cl,CHEMBL1509469,0 +S=C(Nc1ccc2c[nH]nc2c1)Nc1ccc(Cl)cc1Cl,CHEMBL1452621,0 +S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCC1,CHEMBL1320881,0 +S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCCC1,CHEMBL1510655,0 +S=C(Nc1ccc2nsnc2c1)NC1CCCCC1,CHEMBL1588753,0 +S=C(Nc1cccc(Br)c1)c1ccccc1,CHEMBL1389742,0 +S=C(Nc1cccc(Cl)c1)Nc1cccc2cnccc12,CHEMBL1456371,0 +S=C(Nc1cccc(Cl)c1Cl)Nn1cnnc1,CHEMBL1447081,0 +S=C(Nc1ccccc1)N1CCN(C(=S)c2ccccc2)CC1,CHEMBL1404910,0 +S=C(Nc1ccccc1)N1N=C(c2cccs2)CC1c1cccs1,CHEMBL1489927,0 +S=C(Nc1ccccc1)Nc1ccc2c[nH]nc2c1,CHEMBL1403668,0 +S=C(Nc1ccccc1)Nc1cccc(Br)c1,CHEMBL1576403,0 +S=C(Nc1ccccc1)Nn1cnnc1,CHEMBL1313304,0 +S=C(Nc1ccccc1Cl)Nc1ccc(Cl)cc1Cl,CHEMBL1324244,0 +S=C(Nc1cccnc1)Nc1cccc2cnccc12,CHEMBL1306908,0 +S=C(Nc1nc2c(s1)CCCC2)NC1CC1,CHEMBL1383585,0 +S=C(S)N1CCCC1,CHEMBL1449651,0 +S=C(S)OC1CC2CC1C1CCCC21,CHEMBL404954,0 +S=C(SSC(=S)N1CCOCC1)N1CCOCC1,CHEMBL121556,0 +S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCOCC1,CHEMBL1584476,0 +S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1,CHEMBL1604679,0 +S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCCC1,CHEMBL1562443,0 +S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCCCC1,CHEMBL1563798,0 +S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCOCC1,CHEMBL1375958,0 +S=C(c1ccc(-c2ccccc2)cc1)N1CCOCC1,CHEMBL1452295,0 +S=C(c1ccc(-c2ccccc2)o1)N1CCCCC1,CHEMBL1459270,0 +S=C(c1ccc(-c2ccccc2Cl)o1)N1CCOCC1,CHEMBL1350257,0 +S=C(c1ccc(Br)cc1)N1CCCC1,CHEMBL1726171,0 +S=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1,CHEMBL1224683,0 +S=C(c1ccc(Cl)cc1)N1CCOCC1,CHEMBL1348974,0 +S=C(c1ccc(N2CCCC2)cc1)N1CCCCC1,CHEMBL1364180,0 +S=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1,CHEMBL1541587,0 +S=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc(Cl)c2)CC1,CHEMBL1733868,0 +S=C(c1ccc2c(c1)OCO2)N1CCOCC1,CHEMBL1363620,0 +S=C(c1ccccc1)N1CCCC1,CHEMBL1544719,0 +S=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCCC1,CHEMBL1407203,0 +S=C(c1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCOCC1,CHEMBL1414859,0 +S=C(c1nc2ccccc2[nH]1)N1CCOCC1,CHEMBL1563369,0 +S=C1NCCOCCOCCNC(=S)N2CCOCCOCCN1CCOCCOCC2,CHEMBL2141220,0 +S=C1SCN(Cc2ccccc2)CN1Cc1ccco1,CHEMBL1874177,0 +S=C1SCN(Cc2ccccn2)CN1Cc1ccco1,CHEMBL1603700,0 +S=P(N1CC1)(N1CC1)N1CC1,CHEMBL671,0 +S=P(c1ccc(N2CCOCC2)cc1N1CCOCC1)(N1CCOCC1)N1CCOCC1,CHEMBL1550059,0 +S=c1[nH]ccn1Cc1ccccc1,CHEMBL164791,0 +S=c1[nH]nc(-c2ccccc2)o1,CHEMBL1164316,0 +S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1,CHEMBL1644616,0 +S=c1[nH]nc(CCCc2n[nH]c(=S)o2)o1,CHEMBL594067,0 +S=c1[nH]nnn1C12CC3CC(CC(C3)C1)C2,CHEMBL602646,0 +S=c1sc2c(N3CCOCC3)ncnc2n1-c1ccccc1,CHEMBL1577013,0 +S=c1sscc1-c1ccccc1,CHEMBL182248,0 +SC1=NC(C23CC4CC(CC(C4)C2)C3)=CC(c2ccc3c(c2)OCO3)N1,CHEMBL1506021,0 +SC1=NC(c2ccccc2)N2C(S)=NC(c3ccccc3)N12,CHEMBL1411307,0 +SC1=NC(c2cccs2)=CC(c2ccc(Br)cc2)N1,CHEMBL1577874,0 +SC1=NC2=C(CCC/C2=C\c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1,CHEMBL1481501,0 +SC1=NC2=C(CCCC2=C2SCCS2)C(c2ccccc2)N1,CHEMBL1528944,0 +SC1=NCCN=C(S)NCCOCCOCCN1,CHEMBL1708809,0 +SC1=Nc2ccccc2C1,CHEMBL1345979,0 +SC1=Nc2ccccc2Sc2ccc(Cl)cc21,CHEMBL1331268,0 +SC1=Nc2ccccc2Sc2ccccc21,CHEMBL1413254,0 +Sc1[nH]cnc2c3cc(Cl)ccc3nc1-2,CHEMBL1404042,0 +Sc1[nH]cnc2c3ccccc3nc1-2,CHEMBL1471924,0 +Sc1[nH]nc(SCc2ccccc2)c2ncnc1-2,CHEMBL1883751,0 +Sc1ccc2ccccc2n1,CHEMBL1387650,0 +Sc1cnc2ccccc2n1,CHEMBL1611140,0 +Sc1cnnc2ccccc12,CHEMBL1713037,0 +Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1,CHEMBL1597261,0 +Sc1n[nH]c(-c2ccc(Cl)cc2)n1,CHEMBL22794,0 +Sc1n[nH]c(-c2cccc(Br)c2)n1,CHEMBL1334768,0 +Sc1n[nH]c(-c2ccccc2Br)n1,CHEMBL1447470,0 +Sc1n[nH]c(-c2ccccc2Cl)n1,CHEMBL1448063,0 +Sc1n[nH]c(-c2csc3c2CCCC3)n1,CHEMBL1407081,0 +Sc1n[nH]c(-c2sccc2OCc2ccc(Cl)cc2Cl)n1,CHEMBL1421187,0 +Sc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1,CHEMBL1530327,0 +Sc1n[nH]c(C2CCCCC2)n1,CHEMBL1524353,0 +Sc1n[nH]c(C2COc3ccccc3O2)n1,CHEMBL1374283,0 +Sc1nc(-c2ccc(Br)cc2)nc2ccccc12,CHEMBL1611121,0 +Sc1nc(-c2ccc(Cl)cc2)cs1,CHEMBL1501761,0 +Sc1nc(-c2ccccc2)cn1/N=C/c1ccncc1,CHEMBL3196482,0 +Sc1nc(-c2ccccc2)cs1,CHEMBL571436,0 +Sc1nc(-c2cccs2)cn1-c1ccccc1,CHEMBL1371108,0 +Sc1nc(SCc2ccccc2)nc2ccccc12,CHEMBL1306480,0 +Sc1nc2c[nH]c(Cl)nc-2n1,CHEMBL1698699,0 +Sc1nc2cc(-c3ccccc3)ccc2o1,CHEMBL1509789,0 +Sc1nc2cc(Br)c[nH]c-2n1,CHEMBL1363389,0 +Sc1nc2cc(Cc3ccc4[nH]c(S)nc4c3)ccc2[nH]1,CHEMBL1525958,0 +Sc1nc2cc(Cl)c3cccnc3c2o1,CHEMBL1483015,0 +Sc1nc2cc(Cl)ccc2[nH]1,CHEMBL69086,0 +Sc1nc2cc(Cl)ccc2s1,CHEMBL1456330,0 +Sc1nc2cc3ccccc3cc2[nH]1,CHEMBL1605629,0 +Sc1nc2ccccc2c2ccccc12,CHEMBL1529254,0 +Sc1nc2ccccc2c2nc(-c3ccccc3)nn12,CHEMBL1451125,0 +Sc1nc2ccccc2c2nc(-c3cccnc3)nn12,CHEMBL1575475,0 +Sc1nc2ccccc2n1CCOc1ccccc1,CHEMBL1535944,0 +Sc1nc2ccccc2n1Cc1ccccc1,CHEMBL355612,0 +Sc1nc2cnccc2n1Cc1ccccc1,CHEMBL1519833,0 +Sc1ncc(Cc2ccccc2)s1,CHEMBL1388600,0 +Sc1ncc(Oc2ccc(Cl)cc2Cl)c(S)n1,CHEMBL1733308,0 +Sc1ncc2cnccn12,CHEMBL1906608,0 +Sc1nccc(-c2ccc(Cl)cc2)n1,CHEMBL1534888,0 +Sc1nccc(-c2ccc3c(c2)CCO3)n1,CHEMBL1541713,0 +Sc1nccc(-c2cccs2)n1,CHEMBL1577873,0 +Sc1nccc2ccccc12,CHEMBL1882930,0 +Sc1nccn1CCc1ccccc1,CHEMBL1394760,0 +Sc1ncnc2c1ncn2-c1ccc(Cl)cc1,CHEMBL1735536,0 +Sc1ncnc2c1ncn2C1CCCO1,CHEMBL1567192,0 +Sc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3,CHEMBL1377688,0 +Sc1ncnc2scc(-c3ccc(Br)cc3)c12,CHEMBL1368794,0 +Sc1ncnc2scc(-c3ccc(Cl)cc3)c12,CHEMBL1566725,0 +Sc1nnc(-c2[nH]nc3c2CCC3)n1/N=C/C=C/c1ccccc1,CHEMBL3194849,0 +Sc1nnc(-c2[nH]nc3c2CCC3)n1/N=C/C=C/c1ccco1,CHEMBL3191145,0 +Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1/N=C/C(Br)=C/c1ccccc1,CHEMBL2000340,0 +Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1/N=C/C=C/c1ccco1,CHEMBL3199033,0 +Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1/N=C/c1ccc(Cl)c(Cl)c1,CHEMBL1982202,0 +Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1/N=C/c1cccc(Cl)c1,CHEMBL1994935,0 +Sc1nnc(-c2cc(-c3ccccn3)nc3ccccc23)o1,CHEMBL1311542,0 +Sc1nnc(-c2cc(-c3ccco3)[nH]n2)n1-c1cccc2ccccc12,CHEMBL1417848,0 +Sc1nnc(-c2cc[nH]n2)n1-c1ccccc1Cl,CHEMBL1444579,0 +Sc1nnc(-c2ccc(Br)cc2)n1-c1ccc2c(c1)OCCO2,CHEMBL1424207,0 +Sc1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1,CHEMBL1368075,0 +Sc1nnc(-c2ccc(Cl)cc2)n1/N=C/C=C/c1ccco1,CHEMBL3198816,0 +Sc1nnc(-c2ccc(Cl)cc2)n1CC1CCCO1,CHEMBL1485648,0 +Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1,CHEMBL1357685,0 +Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1,CHEMBL1460947,0 +Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc2c(c1)OCCO2,CHEMBL1486455,0 +Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1,CHEMBL1438241,0 +Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccccc1Cl,CHEMBL1534063,0 +Sc1nnc(-c2cccc(Cl)c2)n1CCN1CCCCC1,CHEMBL1429600,0 +Sc1nnc(-c2ccccc2Cl)n1/N=C/C=C/c1ccco1,CHEMBL3199193,0 +Sc1nnc(-c2ccccn2)c(-c2ccccn2)n1,CHEMBL2143339,0 +Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2Cl)o1,CHEMBL3189300,0 +Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(Cl)c(Cl)c1,CHEMBL3199162,0 +Sc1nnc(-c2ccccn2)n1/N=C/c1cccc(Cl)c1,CHEMBL1995878,0 +Sc1nnc(-c2ccccn2)n1/N=C/c1cccc2ccccc12,CHEMBL3189512,0 +Sc1nnc(-c2ccco2)n1/N=C/C(Cl)=C/c1ccccc1,CHEMBL2002332,0 +Sc1nnc(-c2ccco2)n1/N=C/c1ccc(Br)s1,CHEMBL3189620,0 +Sc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)c(Cl)c1,CHEMBL1994594,0 +Sc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1,CHEMBL3190455,0 +Sc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1Cl,CHEMBL3192531,0 +Sc1nnc(-c2ccco2)n1/N=C/c1cccc(Cl)c1,CHEMBL3193735,0 +Sc1nnc(-c2cccs2)n1/N=C/c1c(Cl)cccc1Cl,CHEMBL3191755,0 +Sc1nnc(-c2cccs2)n1/N=C/c1cccs1,CHEMBL3198207,0 +Sc1nnc(-c2ccncc2)n1/N=C/C(Cl)=C\c1ccccc1,CHEMBL1969851,0 +Sc1nnc(-c2ccncc2)n1/N=C/C=C/c1ccco1,CHEMBL3197887,0 +Sc1nnc(C(c2ccccc2)C2CCCCC2)o1,CHEMBL1359409,0 +Sc1nnc(C2CC2)n1Cc1ccccc1,CHEMBL1509766,0 +Sc1nnc(C2CC2)n1Cc1ccco1,CHEMBL1445447,0 +Sc1nnc(C2CCCCC2)n1/N=C/c1c(Cl)cccc1Cl,CHEMBL3196614,0 +Sc1nnc(C2CCCCC2)n1/N=C/c1ccccc1,CHEMBL3196978,0 +Sc1nnc(C2CCCCC2)n1/N=C/c1ccccc1Br,CHEMBL1966512,0 +Sc1nnc(C2CCCCC2)n1/N=C/c1ccccc1Cl,CHEMBL3192186,0 +Sc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1,CHEMBL1568830,0 +Sc1nnc(CNc2cccc(Cl)c2)o1,CHEMBL1561131,0 +Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1,CHEMBL1421149,0 +Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,CHEMBL1431406,0 +Sc1nnc(COc2ccc(Cl)cc2)o1,CHEMBL1335490,0 +Sc1nnc(COc2ccc3ccccc3c2)o1,CHEMBL1390293,0 +Sc1nnc(COc2ccccc2)n1/N=C/C(Cl)=C/c1ccccc1,CHEMBL1999595,0 +Sc1nnc(COc2ccccc2)n1/N=C/C=C/c1ccco1,CHEMBL3197916,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl,CHEMBL3189178,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1ccc(Br)cc1,CHEMBL3199443,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1ccc(Br)s1,CHEMBL3189569,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1,CHEMBL3190672,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl,CHEMBL3199674,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1cccc(Br)c1,CHEMBL3191756,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1cccc(Cl)c1Cl,CHEMBL3193462,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1ccccc1Br,CHEMBL3189973,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1ccccc1Cl,CHEMBL1999835,0 +Sc1nnc(COc2ccccc2)n1/N=C/c1cccnc1,CHEMBL3193080,0 +Sc1nnc(CSc2nc3ccccc3s2)o1,CHEMBL1610040,0 +Sc1nnc(Cc2ccc(Cl)cc2)o1,CHEMBL1523784,0 +Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1,CHEMBL1612820,0 +Sc1nnc(NCCCN2CCOCC2)s1,CHEMBL1430606,0 +Sc1nnc(NCCc2ccccc2)s1,CHEMBL290545,0 +Sc1nnc(Nc2ccc(Cl)cc2)s1,CHEMBL1567070,0 +Sc1nnc(Nc2cccc3ccccc23)s1,CHEMBL1488398,0 +Sc1nnc(Nc2ccccc2)s1,CHEMBL289356,0 +Sc1nnc(Nc2ccccc2Cl)s1,CHEMBL1482621,0 +Sc1nnc2c3c4c(sc3ncn12)CCCC4,CHEMBL1511078,0 +Sc1nnc2c3ccccc3n(CCc3ccccc3)c2n1,CHEMBL1458824,0 +Sc1nnc2ccc3ccccc3n12,CHEMBL1894559,0 +Sc1nnc2ccccn12,CHEMBL1698968,0 +Sc1nnnc2ccccc12,CHEMBL1712015,0 +[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2CO1,CHEMBL5081774,0 +[N-]=[N+]=CC(=O)c1ccnc(C(=O)C=[N+]=[N-])c1,CHEMBL1401518,0 +[N-]=[N+]=Nc1ccc2sc3c(c2c1)SCCNC3=O,CHEMBL1672572,0 +[O-]/[N+](=C/c1ccc(F)cc1)c1ccc(Cl)cc1,CHEMBL1609758,0 +[O-]/[N+](=C/c1cccnc1)c1ccc(Br)cc1,CHEMBL1556351,0 +[O-]/[N+](=C\c1ccco1)c1ccc(Cl)cc1,CHEMBL1320096,0 +[O-][N+](=Cc1ccccc1)c1ccc(Cl)cc1,CHEMBL1701411,0 +[O-][N+]1=C(c2ccccc2)C(=NO)C(c2ccccc2)=[N+]1[O-],CHEMBL2142793,0 +[O-][S+](CC(O)c1ccccc1)c1ccccc1,CHEMBL2355181,0 +[O-][S+](NCc1ccco1)C12CC3CC(CC(C3)C1)C2,CHEMBL1468656,0 +[O-][S+](c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O,CHEMBL1603949,0 +[O-][S+](c1ccccc1)C(c1ccccc1)c1ccccc1,CHEMBL1880261,0 +[O-][S+](c1ccccc1O)[S+]([O-])c1ccccc1O,CHEMBL119878,0 +[O-][S+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1,CHEMBL1909390,0 +[O-][S+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6ccccc6)c(Cl)c5)c4c3)o2)CC1,CHEMBL1909393,0 +[O-][S+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6ccccc6)c(F)c5)c4c3)o2)CC1,CHEMBL1909391,0 +[O-][n+]1c2c([n+]([O-])c3c1CCC3)CCCC2,CHEMBL2134791,0 +[O-][n+]1c2ccccc2[n+]([O-])c2cc(O)ccc21,CHEMBL179611,0 +[O-][n+]1c2ccccc2c2n1CCN1CCOC21c1ccc(Cl)cc1,CHEMBL1408567,0 +[O-][n+]1c2ccccc2cc2ccccc21,CHEMBL1561666,0 +[O-][n+]1cc(-c2ccc(Cl)cc2)[n+]([O-])c2c1CCC2,CHEMBL1731428,0 +[O-][n+]1cc(-c2ccc(F)cc2)[n+]([O-])c2c1CCC2,CHEMBL1343543,0 +[O-][n+]1cc(-c2ccccc2)[n+]([O-])c2c1CCC2,CHEMBL1324353,0 +[O-][n+]1cccc2c(Br)cc(Br)c(O)c21,CHEMBL1545702,0 +[O-][n+]1ccccc1S,CHEMBL1356238,0 +[O-]c1n[n+](-c2ccc(Cl)cc2)cc2ccccc12,CHEMBL1504041,0 +[S-]C(=N[n+]1ccccc1)Nc1ccc(Cl)cc1,CHEMBL1452904,0 +c1c2c(cc3sc(N4CCCCC4)nc13)OCO2,CHEMBL1428196,0 +c1c2c(cc3sc(N4CCOCC4)nc13)OCO2,CHEMBL1566730,0 +c1cc(-c2c[nH]c3cnccc23)ccn1,CHEMBL4084955,0 +c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1,CHEMBL478629,0 +c1cc(-c2cnn3nc(N4CCOCC4)ccc23)nc(NC2CC2)n1,CHEMBL495771,0 +c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCOCC2)n1,CHEMBL4460272,0 +c1cc(SSc2ccncc2)ccn1,CHEMBL1232076,0 +c1cc2[nH]c(C3CC3)nc2c2nsnc12,CHEMBL1413178,0 +c1cc2[nH]ncc2cc1-c1cc(CN2CCCCC2)no1,CHEMBL1682360,0 +c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1,CHEMBL1969843,0 +c1cc2c(cc1-c1csc(NNC3=NCCCCC3)n1)OCCO2,CHEMBL1532195,0 +c1cc2c(cc1C1CCCCC1)c1c3n2CCN=C3CCC1,CHEMBL1451628,0 +c1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3c1ccc3c(c1)OCO3)OCO2,CHEMBL252915,0 +c1cc2c(s1)CCc1cn[nH]c1-2,CHEMBL2001539,0 +c1cc2c3c(cccc3c1)NC(c1ccc3c(c1)OCO3)N2,CHEMBL1441366,0 +c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1,CHEMBL1976134,0 +c1ccc(-c2c(-c3ccccc3)n(Cc3ccco3)c3ncnc(NCCCn4ccnc4)c23)cc1,CHEMBL1539483,0 +c1ccc(-c2cc(-c3ccccc3)on2)cc1,CHEMBL1374535,0 +c1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)c3ccccc3n2)cc1,CHEMBL1314144,0 +c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,CHEMBL277535,0 +c1ccc(-c2ccc(C3=Nn4c(Cn5nnc6ccccc65)nnc4SC3)cc2)cc1,CHEMBL1424948,0 +c1ccc(-c2ccc(CN3C[C@@H]4C(c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1,CHEMBL1412307,0 +c1ccc(-c2ccc3c(c2)c2c4n3CCN=C4CCC2)cc1,CHEMBL1375115,0 +c1ccc(-c2cn(-c3ccc4[nH]ncc4c3)nn2)c(NCc2ccncc2)c1,CHEMBL516645,0 +c1ccc(-c2cn(-c3ccc4ccccc4n3)nn2)c(NCc2ccncc2)c1,CHEMBL461605,0 +c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,CHEMBL1531566,0 +c1ccc(-c2cnc(-c3cccnc3)o2)cc1,CHEMBL1478676,0 +c1ccc(-c2cnc(CSc3ncnc4sccc34)o2)cc1,CHEMBL1432842,0 +c1ccc(-c2cnc(Nc3ccc(OCCN4CCCC4)cc3)s2)cc1,CHEMBL2218935,0 +c1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,CHEMBL1321734,0 +c1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1,CHEMBL1510704,0 +c1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1,CHEMBL1483261,0 +c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1,CHEMBL1479211,0 +c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,CHEMBL1302009,0 +c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,CHEMBL406375,0 +c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCN4CCOCC4)cc3)c2)nc1,CHEMBL205158,0 +c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCn4ccnc4)cc3)c2)nc1,CHEMBL208437,0 +c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,CHEMBL261454,0 +c1ccc(-c2nc(-c3ccco3)cs2)nc1,CHEMBL1419870,0 +c1ccc(-c2nc(N3CCOCC3)s[n+]2-c2ccccc2)cc1,CHEMBL1537984,0 +c1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1,CHEMBL1909377,0 +c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CHEMBL1533940,0 +c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CHEMBL1326569,0 +c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1,CHEMBL1510167,0 +c1ccc(-c2nnc(-c3ccccn3)nn2)nc1,CHEMBL1519146,0 +c1ccc(-c2nnc(-c3ccccn3)s2)nc1,CHEMBL1400881,0 +c1ccc(-c2nnc(NC3=NCCC3)o2)cc1,CHEMBL1520180,0 +c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccncc2)c1,CHEMBL1087218,0 +c1ccc(-c2nnc(SCC3CCCO3)nc2-c2ccccc2)cc1,CHEMBL1346496,0 +c1ccc(-c2nnc3n2NC(c2ccc4c(c2)OCO4)S3)cc1,CHEMBL1329994,0 +c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,CHEMBL1490798,0 +c1ccc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)cc1,CHEMBL1538398,0 +c1ccc(-n2nc3ccccc3n2)cc1,CHEMBL1578171,0 +c1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1,CHEMBL1366321,0 +c1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1,CHEMBL1493847,0 +c1ccc(C2(c3ccccc3)OCC(Cn3cncn3)O2)cc1,CHEMBL1504903,0 +c1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1,CHEMBL1507982,0 +c1ccc(C2NCCc3ccccc32)cc1,CHEMBL1562024,0 +c1ccc(C2Nc3cccc4cccc(c34)N2)cc1,CHEMBL1327689,0 +c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,CHEMBL1486993,0 +c1ccc(CCc2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(CCc6ccccc6)nn5)O4)O3)nn2)cc1,CHEMBL1701104,0 +c1ccc(CCc2nn3c(-c4ccncc4)nnc3s2)cc1,CHEMBL526673,0 +c1ccc(CCc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,CHEMBL1385800,0 +c1ccc(CCc2nn3c(Cc4ccccc4)nnc3s2)cc1,CHEMBL1559240,0 +c1ccc(CCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CHEMBL1531944,0 +c1ccc(CCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CHEMBL1463052,0 +c1ccc(CCn2nnc3ccccc32)cc1,CHEMBL1303829,0 +c1ccc(CCn2nnnc2C(c2ccccn2)N(Cc2ccco2)Cc2cccs2)cc1,CHEMBL1378104,0 +c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1,CHEMBL1534902,0 +c1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1,CHEMBL1459569,0 +c1ccc(CNC23CC4CC(CC(C4)C2)C3)nc1,CHEMBL1311582,0 +c1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1,CHEMBL1682546,0 +c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,CHEMBL1983534,0 +c1ccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)cc1,CHEMBL215993,0 +c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1,CHEMBL1980163,0 +c1ccc(COc2cncc(-c3cccnc3)c2)cc1,CHEMBL1714420,0 +c1ccc(COc2nsnc2N2CCOCC2)cc1,CHEMBL1534126,0 +c1ccc(COn2c(-c3ccccc3)nc3c2CCc2nonc2-3)cc1,CHEMBL1341764,0 +c1ccc(COn2nnc3ccccc32)c(COn2nnc3ccccc32)c1,CHEMBL1489236,0 +c1ccc(CSc2ccc(-c3cccs3)nn2)nc1,CHEMBL1306451,0 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+O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1,CHEMBL1566547,0 +O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(CCO)CC1,CHEMBL1331925,0 +O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1,CHEMBL1908397,0 +O=C(c1ccc(Br)cc1)c1cc2ccc(O)cc2oc1=O,CHEMBL1352275,0 +O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CC2CC(C1)c1cccc(=O)n1C2,CHEMBL1387052,0 +O=C(c1cccc2nc3ccccc3nc12)N1CCOCC1,CHEMBL1610164,0 +O=C(c1ccccc1)C(Sc1nc[nH]n1)c1ccccc1,CHEMBL1365284,0 +O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1,CHEMBL1307493,0 +O=C(c1ccccc1)N1N=C(c2ccco2)CC1c1cccs1,CHEMBL1368358,0 +O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1O,CHEMBL478980,0 +O=C(c1ccccc1)c1coc2ccc(O)c(CN3CCOCC3)c12,CHEMBL1376980,0 +O=C(c1cccnc1Cl)N1CCOCC1,CHEMBL1345848,0 +O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)CC1,CHEMBL1716810,0 +O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,CHEMBL1408171,0 +O=C1/C(=C/c2cccc(F)c2)Oc2cc(O)ccc21,CHEMBL1345096,0 +O=C1/C(=C\c2cccc([N+](=O)[O-])c2O)SC(=S)N1Cc1ccccc1,CHEMBL1475198,0 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+O=C1CCCN1CCCNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc12,CHEMBL1082027,0 +O=C1CCCc2c1nc(-c1ccccc1)n2O,CHEMBL1550331,0 +O=C1CNC(=O)/C1=C/c1ccccc1,CHEMBL1410882,0 +O=C1COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2N1,CHEMBL1597798,0 +O=C1CSC(=S)N1/N=C/c1c(F)cccc1F,CHEMBL3199885,0 +O=C1CSC(=S)N1/N=C/c1ccc(O)c(O)c1O,CHEMBL1987928,0 +O=C1CSC(c2ccc(Cl)cc2)N1,CHEMBL1529814,0 +O=C1Cc2cc(Nc3ccccc3)ccc2Cc2ccccc21,CHEMBL1096988,0 +O=C1Cc2ccccc2C(=O)N1Cc1ccccc1,CHEMBL1466516,0 +O=C1Cc2ccccc2Cc2cc(-c3ccccc3)ccc21,CHEMBL1096442,0 +O=C1Cc2cnc(Nc3ccc(Cl)cc3)nc2-c2ccccc2N1,CHEMBL596807,0 +O=C1Cc2cnc3ccnn3c2-c2ccccc2N1,CHEMBL590769,0 +O=C1Cc2cnc3ccnn3c2-c2ncccc2N1,CHEMBL591896,0 +O=C1Cc2cnc3ncnn3c2-c2ncccc2N1,CHEMBL608427,0 +O=C1Cc2cnn(-c3ccc(Cl)cc3)c2-c2ccccc2N1,CHEMBL248557,0 +O=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2)S1,CHEMBL1547641,0 +O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)C(=O)N1,CHEMBL1538870,0 +O=C1NC(=O)C(=Cc2cccs2)C(=O)N1,CHEMBL1871588,0 +O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C(=O)N1,CHEMBL4792348,0 +O=C1NC(=O)C(=Cc2csc3ccccc23)C(=O)N1,CHEMBL1489812,0 +O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C(O)/C=C/c1ccc2c(c1)OCO2,CHEMBL1464102,0 +O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1,CHEMBL1427726,0 +O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccoc1,CHEMBL1580019,0 +O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc[nH]1,CHEMBL1375815,0 +O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cccs1,CHEMBL1359006,0 +O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccsc1,CHEMBL1460141,0 +O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\Nc1ccccc1,CHEMBL1329496,0 +O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1,CHEMBL1337304,0 +O=C1NC(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1,CHEMBL1409195,0 +O=C1NC(=S)S/C1=C/c1ccc(OC(=O)c2ccco2)cc1,CHEMBL1462918,0 +O=C1NC(=S)S/C1=C\C=C\c1ccc([N+](=O)[O-])o1,CHEMBL69612,0 +O=C1NC(=S)S/C1=C\c1cc2ccccc2nc1N1CCCCC1,CHEMBL1378300,0 +O=C1NC(=S)S/C1=C\c1ccc2ccccc2c1,CHEMBL456850,0 +O=C1NC(=S)SC1=C1CCCCCC1,CHEMBL1445109,0 +O=C1NC(=S)SC1=Cc1ccc(N(CCCl)CCCl)cc1,CHEMBL1698692,0 +O=C1NC(c2ccccc2)N=C2Oc3ccccc3C=C12,CHEMBL1728761,0 +O=C1NC2c3ccccc3C(=O)N2c2c1cnn2-c1ccccc1,CHEMBL1338190,0 +O=C1NCCCC2c3c(cc(Br)c(O)c3Br)OC12N1CCCCC1,CHEMBL1405837,0 +O=C1NCCSc2c1sc1ccc(O)cc21,CHEMBL1672571,0 +O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,0 +O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,0 +O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1,CHEMBL1535285,0 +O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccc(Cl)cc1,CHEMBL1563027,0 +O=C1Nc2cc(Cl)cnc2N2CCCC12,CHEMBL1375636,0 +O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C(\c1ccccc1)c1ncc[nH]1,CHEMBL4160587,0 +O=C1Nc2ccc(S(=O)(=O)O)cc2/C1=C1/Nc2ccccc2/C1=N\O,CHEMBL440411,0 +O=C1Nc2ccccc2/C1=C/c1cc2c([nH]1)CCC(Br)C2,CHEMBL408565,0 +O=C1Nc2ccccc2/C1=C/c1cnc[nH]1,CHEMBL261692,0 +O=C1Nc2ccccc2/C1=C1\CCc2cc(O)ccc21,CHEMBL175321,0 +O=C1Nc2ccccc2/C1=C\c1ccc2c(/C=C/c3ccc(C(=O)O)cc3)n[nH]c2c1,CHEMBL2407744,0 +O=C1Nc2ccccc2/C1=C\c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1,CHEMBL2407896,0 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+O=C(O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4160416,1 +O=C(O)C(Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1,CHEMBL472244,1 +O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1,CHEMBL1956349,1 +O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1F,CHEMBL1956368,1 +O=C(O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1,CHEMBL470145,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(-c2ccccc2CCc2ccccc2)cc1,CHEMBL2312706,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C(=N/O)c2ccccc2)cc1,CHEMBL3397561,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C=C/c2ccccc2)cc1,CHEMBL573018,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C=C\c2ccccc2)cc1,CHEMBL572795,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/O)cc1,CHEMBL3397548,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/OCCCc2ccccc2)cc1,CHEMBL3397559,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/OCCc2ccccc2)cc1,CHEMBL3397558,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(/C=N/OCc2ccccc2)cc1,CHEMBL3397557,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(C#Cc2ccccc2)cc1,CHEMBL574606,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1,CHEMBL574607,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1,CHEMBL574386,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1,CHEMBL574824,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1,CHEMBL572566,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1,CHEMBL573015,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1,CHEMBL572794,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(C(F)(F)F)c1,CHEMBL1956366,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(Cl)c1,CHEMBL486363,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Br,CHEMBL486205,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Cl,CHEMBL525772,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1,CHEMBL583759,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1,CHEMBL572565,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1,CHEMBL578860,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1,CHEMBL573252,1 +O=C(O)C(Cc1ccccc1Br)Oc1ccc(Cl)cc1,CHEMBL486364,1 +O=C(O)C(Cc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1,CHEMBL471851,1 +O=C(O)C(Cc1ccccc1Cl)Oc1ccc(Cl)cc1,CHEMBL486357,1 +O=C(O)C(Cc1ccccc1F)Oc1ccc(Cl)cc1,CHEMBL1956367,1 +O=C(O)C(Cc1ccccc1Oc1ccccc1)Oc1ccc(Cl)cc1,CHEMBL471814,1 +O=C(O)C(Oc1ccc(Cl)cc1F)c1ccc(Cl)cc1,CHEMBL1956371,1 +O=C(O)C1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1,CHEMBL192609,1 +O=C(O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1,CHEMBL180912,1 +O=C(O)CC1COc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21,CHEMBL4281316,1 +O=C(O)CCCCOc1ccc(NC(=O)Nc2ccccc2)cc1,CHEMBL1828832,1 +O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cccc(-c2ccccc2)c1,CHEMBL3263232,1 +O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL4062724,1 +O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1,CHEMBL4098415,1 +O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc2scnc2c1,CHEMBL4066889,1 +O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc(Cl)c1,CHEMBL4067479,1 +O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc(OC(F)(F)F)c1,CHEMBL4071373,1 +O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL4079308,1 +O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2c(c1)OCO2,CHEMBL4101596,1 +O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1,CHEMBL4091374,1 +O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1cccc2ccccc12,CHEMBL4062472,1 +O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL4094877,1 +O=C(O)CCOc1nc(Nc2cccc3c2CCC3)cc(C(F)(F)F)n1,CHEMBL4518775,1 +O=C(O)CCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1,CHEMBL4074391,1 +O=C(O)CCc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1,CHEMBL1813188,1 +O=C(O)CCc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1,CHEMBL204057,1 +O=C(O)CCc1ccc(OCCN(Cc2ccc(C(F)(F)F)cc2)c2nc3ccccc3s2)cc1,CHEMBL247508,1 +O=C(O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393180,1 +O=C(O)COc1ccc(COc2cc(/C=C/c3ccc(OCC4CC4)cc3)cc(OCC3CC3)c2)cc1F,CHEMBL5169664,1 +O=C(O)COc1ccc(COc2cccc(-c3ccc4cc(OCC5CC5)ccc4c3)c2)cc1F,CHEMBL5184567,1 +O=C(O)COc1ccc(COc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1F,CHEMBL5208754,1 +O=C(O)COc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1F,CHEMBL5179638,1 +O=C(O)COc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1,CHEMBL207198,1 +O=C(O)COc1ccc(SCc2ccc(F)cc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2,CHEMBL234666,1 +O=C(O)COc1ccc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)c2c1CCC2,CHEMBL232398,1 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+O=C(COc1ccc2cc(/C=C3/SC(=O)NC3=O)ccc2c1)Nc1ccc([N+](=O)[O-])cc1,CHEMBL5085291,1 +O=C(Cc1ccc(C(F)(F)F)cc1)OCc1ccc(SCc2ccccc2C(=O)O)cc1,CHEMBL3916538,1 +O=C(Cc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)OCc1ccc(C(F)(F)F)cc1,CHEMBL3957467,1 +O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCCc1ccccc1C(F)(F)F,CHEMBL3919950,1 +O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCc1ccc(-n2cccn2)cc1,CHEMBL3901902,1 +O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCc1ccc(C(F)(F)F)cc1,CHEMBL3982893,1 +O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCCc1ccc(C(F)(F)F)cc1,CHEMBL3978096,1 +O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCCc1ccccc1C(F)(F)F,CHEMBL3925405,1 +O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCc1ccc(-n2cccn2)cc1,CHEMBL3976126,1 +O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCc1ccc(C(F)(F)F)cc1,CHEMBL3894017,1 +O=C(Cc1ccccc1)NC(CSCc1ccccc1)C(=O)O,CHEMBL5184438,1 +O=C(Cc1ccccc1)c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,CHEMBL573492,1 +O=C(Cc1ccccn1)OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1,CHEMBL3963887,1 +O=C(NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O)OCc1ccccc1,CHEMBL5196394,1 +O=C(NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)(C(=O)O)C(=O)O)c1ccc(Cl)cc1,CHEMBL375353,1 +O=C(NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O)c1ccc(Cl)cc1,CHEMBL223249,1 +O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL594625,1 +O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL491501,1 +O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL491500,1 +O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,CHEMBL603424,1 +O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O,CHEMBL83747,1 +O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2[nH]ccc2c1,CHEMBL5077363,1 +O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2CC(C(F)(F)F)C(F)(F)F)c1,CHEMBL5090087,1 +O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2CC2CC2)c1,CHEMBL5081457,1 +O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2CC2COC2)c1,CHEMBL5091134,1 +O=C(NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2S(=O)(=O)c2cccc(F)c2)c1,CHEMBL5088299,1 +O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1,CHEMBL5282748,1 +O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)Nc2ccccn2)c(Cl)cc1F,CHEMBL5291018,1 +O=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1,CHEMBL5273751,1 +O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1,CHEMBL5287866,1 +O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1,CHEMBL5087833,1 +O=C(NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2ccc(Cl)cc2)cc1,CHEMBL252675,1 +O=C(NCc1ccc(NS(=O)(=O)C2CC2)cc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1,CHEMBL5084336,1 +O=C(NCc1cccc(O)c1)c1ccc(NCc2ccc(-c3ccccc3C(=O)O)cc2)cc1,CHEMBL4555317,1 +O=C(NCc1ccccc1)c1cc(C(=O)Nc2ccccc2)c(Cl)c(C(F)(F)F)c1,CHEMBL5281604,1 +O=C(NCc1ccccc1)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1F,CHEMBL5287868,1 +O=C(NCc1ccccc1)c1cc(Cl)c(Cl)c(C(=O)Nc2ccccc2)c1,CHEMBL5289955,1 +O=C(NCc1ccccc1)c1ccc(Br)c(C(=O)Nc2ccccc2)c1,CHEMBL5283176,1 +O=C(NCc1ccccc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1,CHEMBL5278668,1 +O=C(NCc1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1,CHEMBL3678087,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc(CC(C(=O)O)c2ccccc2)cc1,CHEMBL3764453,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1,CHEMBL5083878,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cc(F)cc(F)c1,CHEMBL5075443,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)c(Cl)c1,CHEMBL5094028,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cccc(Cl)c1,CHEMBL5083326,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cccc(F)c1,CHEMBL5071398,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1,CHEMBL5084529,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1C(F)(F)F,CHEMBL5086718,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1Cl,CHEMBL5089975,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)ncn2Cc1cccc(F)c1,CHEMBL5078732,1 +O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(cnn2Cc2cccc(F)c2)c1,CHEMBL5080632,1 +O=C(NCc1ccccc1Cn1cccc1C(=O)O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3,CHEMBL2180631,1 +O=C(NCc1ccccc1Cn1cccc1C(=O)O)Nc1ccc(OC(F)(F)F)cc1,CHEMBL2180634,1 +O=C(NCc1cccs1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1,CHEMBL3678090,1 +O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2n1Cc1ccc(C(F)(F)F)cc1,CHEMBL374363,1 +O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL218176,1 +O=C(NS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL447538,1 +O=C(NS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL218175,1 +O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL222026,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL218230,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(O)ccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL374657,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL385585,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1C(=O)c1cccc(C(F)(F)F)c1,CHEMBL435317,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cc(Cl)ccc1Cl,CHEMBL374705,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1ccc(C(F)(F)F)cc1,CHEMBL218122,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL221342,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(OC(F)(F)F)c1,CHEMBL222165,1 +O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(OCc2ccccc2)c1,CHEMBL218789,1 +O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL374189,1 +O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,CHEMBL386307,1 +O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1,CHEMBL3678096,1 +O=C(Nc1cc(Br)ccc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL484467,1 +O=C(Nc1ccc(-c2cccc3cccnc23)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL119078,1 +O=C(Nc1ccc(-c2ccco2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL119030,1 +O=C(Nc1ccc(-c2ccsc2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL118617,1 +O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL484266,1 +O=C(Nc1ccc(C(F)(F)F)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL522619,1 +O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3c(O)cccc3C2)c1,CHEMBL484466,1 +O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3c(cccc3C(=O)O)C2)c1,CHEMBL496136,1 +O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccc(Cl)cc3C2)c1,CHEMBL496726,1 +O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccc(F)cc3C2)c1,CHEMBL498608,1 +O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL485088,1 +O=C(Nc1ccc(F)cc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL519345,1 +O=C(Nc1ccc(OCCc2ccccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL420525,1 +O=C(Nc1ccc(OCCc2cccs2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL119278,1 +O=C(Nc1ccc(OCCc2ccsc2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL333890,1 +O=C(Nc1ccc(OCc2cccs2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL119869,1 +O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL118546,1 +O=C(Nc1ccc(Oc2cncc(Cl)n2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL119111,1 +O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL330938,1 +O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl,CHEMBL118206,1 +O=C(Nc1ccc2nc(-c3ccccc3)cn2c1)c1cc([N+](=O)[O-])ccc1Cl,CHEMBL5201278,1 +O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl,CHEMBL5174641,1 +O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])ccc1Cl,CHEMBL2324298,1 +O=C(Nc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Cl,CHEMBL4866821,1 +O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,CHEMBL523395,1 +O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl,CHEMBL510698,1 +O=C(O)C(Cc1ccc(Br)cc1)Oc1ccc(Cl)cc1,CHEMBL508225,1 +O=C(O)C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,CHEMBL471191,1 +O=C(O)C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1F,CHEMBL1956363,1 +O=C(O)C(Cc1ccc(F)cc1)Oc1ccc(Cl)cc1,CHEMBL1956350,1 +O=C(O)C(Cc1ccc(OCCOc2ccc3c(c2)CCCC3)cc1)C(=O)O,CHEMBL115463,1 +O=C(O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F,CHEMBL4160416,1 +O=C(O)C(Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1,CHEMBL472244,1 +O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1,CHEMBL1956349,1 +O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1F,CHEMBL1956368,1 +O=C(O)C(Cc1cccc(F)c1)Oc1ccccc1C(F)(F)F,CHEMBL1956369,1 +O=C(O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1,CHEMBL470145,1 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+O=C(O)c1ccc(/C=C\c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1,CHEMBL5177120,1 +O=C(O)c1ccc(COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1,CHEMBL1526763,1 +O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1,CHEMBL4522217,1 +O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1,CHEMBL5197292,1 +O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1F,CHEMBL5177875,1 +O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccc[nH]2)cc1,CHEMBL5178739,1 +O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cn[nH]c2)cc1,CHEMBL5180168,1 +O=C(O)c1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1,CHEMBL325172,1 +O=C(O)c1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393177,1 +O=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL3393178,1 +O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1,CHEMBL3335629,1 +O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1,CHEMBL3335624,1 +O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1,CHEMBL3335628,1 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+CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl,CHEMBL233660,1 +CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,CHEMBL232250,1 +CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O,CHEMBL195021,1 +CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL409,1 +CC(O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1208797,1 +CC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL1672542,1 +CC(c1ccnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL564782,1 +CC(c1cn(C)nn1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL551784,1 +CC(c1nccn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL559580,1 +CC(c1nncn1C)N(CC1CCCCC1)c1ccc(C#N)c(Cl)c1,CHEMBL552108,1 +CC(c1nncn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL559974,1 +CC(c1nnnn1C(C)C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL564015,1 +CC(c1nnnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL556891,1 +CC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1,CHEMBL195515,1 +CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1,CHEMBL33899,1 +CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CHEMBL83,1 +CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120318,1 +CC/C(=C1\c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1,CHEMBL3120317,1 +CC/C(=N/O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1209297,1 +CC/C(C)=C1/Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL63015,1 +CC/C(C)=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL62981,1 +CC/C=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL428922,1 +CC/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21,CHEMBL228878,1 +CC1(C)C(=O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O,CHEMBL1087512,1 +CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO,CHEMBL9337,1 +CC1(C)C(=O)N(c2ccc(C#N)cc2)C(=O)c2ccccc21,CHEMBL479957,1 +CC1(C)C(=O)N(c2ccc(F)cc2)C(=O)c2ccccc21,CHEMBL479565,1 +CC1(C)C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21,CHEMBL480141,1 +CC1(C)C(=O)N(c2cccc(F)c2)C(=O)c2ccccc21,CHEMBL479564,1 +CC1(C)C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21,CHEMBL480140,1 +CC1(C)C(=O)N(c2ccccc2F)C(=O)c2ccccc21,CHEMBL507866,1 +CC1(C)C(=O)Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21,CHEMBL117612,1 +CC1(C)C(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL117518,1 +CC1(C)C(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,CHEMBL117067,1 +CC1(C)C(=O)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21,CHEMBL115638,1 +CC1(C)C(=O)Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL117954,1 +CC1(C)C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])s3)cc21,CHEMBL117506,1 +CC1(C)C(=O)Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL117187,1 +CC1(C)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL117965,1 +CC1(C)C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL119058,1 +CC1(C)C(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL280805,1 +CC1(C)C/C(=N\O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc21,CHEMBL568521,1 +CC1(C)C/C(=N\O)c2ccc(-c3cccc(C#N)c3)cc21,CHEMBL565906,1 +CC1(C)C/C(=N\O)c2ccc(-c3cccc(Cl)c3)cc21,CHEMBL574354,1 +CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)N1,CHEMBL1762203,1 +CC1(C)C=C(CSCCc2ccccc2)c2cc(-c3cccc(O)c3Cl)ccc2N1,CHEMBL380646,1 +CC1(C)C=Cc2c(ccc3c2C(c2ccc(Cl)cc2)Oc2ccccc2-3)N1,CHEMBL33909,1 +CC1(C)C=Cc2cc3c(C(F)(F)F)cc(O)nc3cc2N1,CHEMBL350877,1 +CC1(C)CC(=O)c2c(ccc3c2C(c2ccc(Cl)cc2)Oc2ccccc2-3)N1,CHEMBL286662,1 +CC1(C)CC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc21,CHEMBL577245,1 +CC1(C)CC(=O)c2ccc(-c3cccc(C#N)c3)cc21,CHEMBL574138,1 +CC1(C)CC(=O)c2ccc(-c3cccc(Cl)c3)cc21,CHEMBL577034,1 +CC1(C)CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL356741,1 +CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(O)nc4cc3N[C@H]12,CHEMBL423620,1 +CC1(C)CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1,CHEMBL7289,1 +CC1(C)CCc2cc3c(C(F)(F)F)cc(O)nc3cc2N1,CHEMBL6874,1 +CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1085593,1 +CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1,CHEMBL1085819,1 +CC1(C)C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c21,CHEMBL4092066,1 +CC1(C)C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3c(=O)[nH]ccc23)c2ccc(F)c(O)c21,CHEMBL4085241,1 +CC1(C)Cc2cc3c(C(F)(F)F)cc(O)nc3cc2NC1(C)C,CHEMBL156806,1 +CC1(C)Nc2c(cc(-c3cccn4nccc34)c3c2CCC3)C(C)(C)C1=O,CHEMBL3582120,1 +CC1(C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1,CHEMBL350745,1 +CC1(C)Nc2ccc(-c3cccc(Cl)c3)cc2C(C)(C)O1,CHEMBL165141,1 +CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)C1=O,CHEMBL131681,1 +CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1,CHEMBL354327,1 +CC1(C)Nc2ccc3c(c2C(C)(C)C1=O)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL34589,1 +CC1(C)OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419305,1 +CC1(C)OC(=O)N(Cc2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc21,CHEMBL247090,1 +CC1(C)OC(=O)N(c2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc21,CHEMBL247089,1 +CC1(C)OC(=O)Nc2c(F)cc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL139406,1 +CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL136322,1 +CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,CHEMBL136376,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL305946,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)o3)cc21,CHEMBL70820,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL71527,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc(Cl)cc3)cc21,CHEMBL342199,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc(F)c(C#N)c3)cc21,CHEMBL136721,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL343306,1 +CC1(C)OC(=O)Nc2ccc(-c3ccc([N+](=O)[O-])[nH]3)cc21,CHEMBL67914,1 +CC1(C)OC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL303209,1 +CC1(C)OC(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL136806,1 +CC1(C)OC(=O)Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL138005,1 +CC1(C)OC(=O)Nc2ccc(-c3coc(C#N)c3)cc21,CHEMBL138059,1 +CC1(C)OC(=O)Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL139749,1 +CC1(C)OC(=O)Nc2ccc(Nc3cccc(Cl)c3Cl)cc21,CHEMBL393641,1 +CC1(C)OC(C(C)(C)C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL349398,1 +CC1(C)OC(C(F)(F)F)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL167570,1 +CC1(C)OC(C(F)(F)F)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL164082,1 +CC1(C)OC(C(F)(F)F)Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL167844,1 +CC1(C)OC(S)=Nc2c(Br)cc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL24963,1 +CC1(C)OC(S)=Nc2c(Br)cc(-c3ccc(Cl)c(F)c3)cc21,CHEMBL283982,1 +CC1(C)OC(S)=Nc2c(F)cc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL25128,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(Br)cc(C#N)c3)cc21,CHEMBL24583,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(Br)cc(OC(F)(F)F)c3)cc21,CHEMBL26763,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(C#N)cc(C#N)c3)cc21,CHEMBL429056,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(C#N)cc(OC(F)(F)F)c3)cc21,CHEMBL24689,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(Cl)cc(C#N)c3)cc21,CHEMBL25036,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21,CHEMBL24581,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(Br)c3)cc21,CHEMBL280956,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL282091,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(C(F)(F)F)c3)cc21,CHEMBL25017,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,CHEMBL25462,1 +CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(F)c3)cc21,CHEMBL281182,1 +CC1(C)OC(S)=Nc2ccc(-c3ccc(C#N)o3)cc21,CHEMBL24245,1 +CC1(C)OC(S)=Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL25469,1 +CC1(C)OC(S)=Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL25037,1 +CC1(C)OC(S)=Nc2ccc(-c3ccc(F)c(F)c3)cc21,CHEMBL25181,1 +CC1(C)OC(S)=Nc2ccc(-c3cccc(Br)c3)cc21,CHEMBL25015,1 +CC1(C)OC(S)=Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL280613,1 +CC1(C)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL24380,1 +CC1(C)OC(S)=Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL24621,1 +CC1(C)OC(S)=Nc2ccc(-c3cccc(F)c3F)cc21,CHEMBL28199,1 +CC1(C)OC(S)=Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL24965,1 +CC1(C)OC(S)=Nc2ccc(-c3ccccc3Cl)cc21,CHEMBL24672,1 +CC1(C)OC(S)=Nc2ccc(-c3ccccc3F)cc21,CHEMBL285872,1 +CC1(C)OC(S)=Nc2ccc(-c3cncc(Br)c3)cc21,CHEMBL25556,1 +CC1(C)OC(S)=Nc2ccc(-c3coc(C#N)c3)cc21,CHEMBL282649,1 +CC1(C)OC(S)=Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL282650,1 +CC1(C)OC(c2ccccc2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL167620,1 +CC1(C)OC(c2cccs2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL164140,1 +CC1(C)OCC(=O)Nc2ccc(-c3cc(Cl)cc(C#N)c3)cc21,CHEMBL487729,1 +CC1(C)OCC(=O)Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21,CHEMBL519581,1 +CC1(C)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL487728,1 +CC1(C)OCC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,CHEMBL487727,1 +CC1(C)OCC(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc21,CHEMBL488558,1 +CC1(C)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL491206,1 +CC1(C)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL529665,1 +CC1(C)OCC(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc21,CHEMBL530108,1 +CC1(C)OCC(=O)Nc2ccc(-c3ccc(F)cc3)cc21,CHEMBL486910,1 +CC1(C)OCC(=O)Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL486709,1 +CC1(C)OCC(=O)Nc2ccc(-c3cccc(F)c3F)cc21,CHEMBL488758,1 +CC1(C)OCC(=O)Nc2ccc(-c3ccccc3F)cc21,CHEMBL486499,1 +CC1(C)OCC(=S)Nc2ccc(-c3cc(F)cc(F)c3)cc21,CHEMBL509935,1 +CC1(C)[C@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O,CHEMBL1076438,1 +CC1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL115903,1 +CC1(Cc2ccccc2)C(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL26755,1 +CC1(Cc2ccccc2)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL280121,1 +CC1(F)OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419307,1 +CC1(c2ccccc2)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL25415,1 +CC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL523659,1 +CC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL487930,1 +CC1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL492228,1 +CC12CC(C)(C(=O)Nc3nccs3)C(c3ccccc31)c1ccccc12,CHEMBL474189,1 +CC12CC(C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12,CHEMBL514630,1 +CC1=C(C#N)[C@@H](c2ccc(F)cc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1,CHEMBL1097751,1 +CC1=C(C)C(C)(C)Nc2cc3nc(O)cc(C(F)(F)F)c3cc21,CHEMBL349539,1 +CC1=CC(C)(C)N(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL345342,1 +CC1=CC(C)(C)N(C)c2cc3nc(O)cc(C(F)(F)F)c3cc21,CHEMBL347870,1 +CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(=O)n(C)c1c2C,CHEMBL160923,1 +CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(O)nc1c2C,CHEMBL157703,1 +CC1=CC(C)(C)Nc2cc(F)c3c(c21)C(O)c1cc(F)ccc1-3,CHEMBL92777,1 +CC1=CC(C)(C)Nc2cc(F)c3c(c21)Cc1cc(F)ccc1-3,CHEMBL431280,1 +CC1=CC(C)(C)Nc2cc3[nH]c4ccccc4c3cc21,CHEMBL329339,1 +CC1=CC(C)(C)Nc2cc3c(c(Cl)c21)-c1ccccc1C3O,CHEMBL330702,1 +CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3,CHEMBL433403,1 +CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3(C)O,CHEMBL328669,1 +CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3=O,CHEMBL91227,1 +CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3OC(=O)C(F)(F)F,CHEMBL327934,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cc(F)cc1C3O,CHEMBL316348,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)ccc(F)c1C3,CHEMBL327847,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3,CHEMBL313418,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3=O,CHEMBL90766,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3O,CHEMBL328261,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1cc(F)c([N+](=O)[O-])cc1C3,CHEMBL330527,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1cc(F)cc(F)c1C3O,CHEMBL328787,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3,CHEMBL446418,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3C,CHEMBL327918,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3Cc1ccccc1,CHEMBL93474,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3O,CHEMBL91708,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Cl)cc1C3,CHEMBL328523,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(F)cc1C3,CHEMBL92750,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(F)cc1C3O,CHEMBL93451,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc([N+](=O)[O-])cc1C3,CHEMBL328506,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1cccc(CO)c1C3,CHEMBL92089,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,CHEMBL329198,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3=O,CHEMBL94286,1 +CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3O,CHEMBL93407,1 +CC1=CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL160386,1 +CC1=CC(C)(C)Nc2cc3nc(O)cc(C(F)(F)F)c3cc21,CHEMBL160451,1 +CC1=CC(C)(C)Nc2cc3nc(O)cc(C)c3cc21,CHEMBL346487,1 +CC1=CC(C)(C)Nc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL6441,1 +CC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc21,CHEMBL328058,1 +CC1=CC(C)(C)Nc2ccc(-c3c(C)sc(C#N)c3C)cc21,CHEMBL334890,1 +CC1=CC(C)(C)Nc2ccc(-c3cc(Br)c(C#N)s3)cc21,CHEMBL132950,1 +CC1=CC(C)(C)Nc2ccc(-c3cc(Br)cs3)cc21,CHEMBL538158,1 +CC1=CC(C)(C)Nc2ccc(-c3cc(C#N)sc3C)cc21,CHEMBL132195,1 +CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL117465,1 +CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(F)c3)cc21,CHEMBL117586,1 +CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21,CHEMBL117308,1 +CC1=CC(C)(C)Nc2ccc(-c3ccc(Br)s3)cc21,CHEMBL339399,1 +CC1=CC(C)(C)Nc2ccc(-c3ccc(C#N)s3)cc21,CHEMBL132193,1 +CC1=CC(C)(C)Nc2ccc(-c3ccc(C=O)s3)cc21,CHEMBL134786,1 +CC1=CC(C)(C)Nc2ccc(-c3ccc(Cl)s3)cc21,CHEMBL133661,1 +CC1=CC(C)(C)Nc2ccc(-c3ccc([N+](=O)[O-])s3)cc21,CHEMBL133656,1 +CC1=CC(C)(C)Nc2ccc(-c3cccc(C#N)c3)cc21,CHEMBL115904,1 +CC1=CC(C)(C)Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL117585,1 +CC1=CC(C)(C)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL93027,1 +CC1=CC(C)(C)Nc2ccc(-c3ccccc3)cc21,CHEMBL93463,1 +CC1=CC(C)(C)Nc2ccc(-c3cccs3)cc21,CHEMBL337199,1 +CC1=CC(C)(C)Nc2ccc(-c3ccsc3C#N)cc21,CHEMBL134258,1 +CC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21,CHEMBL335992,1 +CC1=CC(C)(C)Nc2ccc(-c3csc(C=O)c3)cc21,CHEMBL337885,1 +CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3Br)cc21,CHEMBL132192,1 +CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3C)cc21,CHEMBL131855,1 +CC1=CC(C)(C)Nc2ccc(-c3sccc3C)cc21,CHEMBL133794,1 +CC1=CC(C)(C)Nc2ccc3c([nH]c4ccccc43)c21,CHEMBL94183,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/Br)Oc1ccc(F)cc1-3,CHEMBL62700,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C#N)Oc1ccc(F)cc1-3,CHEMBL62731,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C1CCCCC1)Oc1ccc(F)cc1-3,CHEMBL418670,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C=O)Oc1ccc(F)cc1-3,CHEMBL65689,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1c(F)cccc1F)Oc1ccccc1-3,CHEMBL344644,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)cc(F)c1)Oc1ccccc1-3,CHEMBL342190,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)ccc1F)Oc1ccccc1-3,CHEMBL137103,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(Br)cc1)Oc1ccccc1-3,CHEMBL137902,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(C)cc1)Oc1ccccc1-3,CHEMBL139468,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL136915,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)c(F)c1)Oc1ccccc1-3,CHEMBL342426,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1)Oc1c(F)cccc1-3,CHEMBL133117,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1)Oc1ccccc1-3,CHEMBL136464,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1F)Oc1ccccc1-3,CHEMBL428125,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL137956,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(C)c1)Oc1ccccc1-3,CHEMBL344048,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(Cl)c1)Oc1ccccc1-3,CHEMBL337262,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1c(F)cccc1-3,CHEMBL130257,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL32812,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1F)Oc1ccccc1-3,CHEMBL135138,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3,CHEMBL413309,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL134602,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL134421,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccc(F)cc1-3,CHEMBL334586,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccccc1-3,CHEMBL335591,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C#N)Oc1ccc(F)cc1-3,CHEMBL334747,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C(C)C)Oc1ccc(F)cc1-3,CHEMBL132672,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C(F)(F)F)Oc1ccc(F)cc1-3,CHEMBL133124,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1c(F)cccc1-3,CHEMBL337856,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccc(F)cc1-3,CHEMBL336736,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,CHEMBL302362,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C=O)Oc1ccc(F)cc1-3,CHEMBL422268,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Cl)Oc1ccc(F)cc1-3,CHEMBL132256,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Cl)Oc1ccccc1-3,CHEMBL344627,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccc(F)cc1-3,CHEMBL335249,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccccc1-3,CHEMBL435822,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3,CHEMBL336353,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1OC(F)(F)F)Oc1ccc(F)cc1-3,CHEMBL132578,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccn1)Oc1ccc(F)cc1-3,CHEMBL335879,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3,CHEMBL336169,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1)Oc1ccc(F)cc1-3,CHEMBL336751,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,CHEMBL130141,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3,CHEMBL134277,1 +CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,CHEMBL132363,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(=C(c1ccccc1)c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL303768,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3,CHEMBL65929,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(Cl)cc1-3,CHEMBL286446,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccc(F)cc1-3,CHEMBL116007,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(C)Oc1ccccc1-3,CHEMBL115174,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(CCC(C)C)Oc1ccccc1-3,CHEMBL114607,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(CCCCCl)Oc1ccccc1-3,CHEMBL332264,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccccc1-3,CHEMBL138283,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(C)cc(Br)c1)Oc1ccccc1-3,CHEMBL101907,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3,CHEMBL102541,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(F)cc(Br)c1)Oc1ccccc1-3,CHEMBL102602,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)cc1)Oc1ccc(Cl)cc1-3,CHEMBL322576,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)cc1)Oc1ccccc1-3,CHEMBL103232,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Br)nc1)Oc1ccccc1-3,CHEMBL102179,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C(F)(F)F)cc1)Oc1ccccc1-3,CHEMBL321584,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3,CHEMBL103092,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)cc1)Oc1ccccc1-3,CHEMBL102403,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL94753,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccc(F)cc1-3,CHEMBL94749,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(C)c1)Oc1ccccc1-3,CHEMBL102720,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(Cl)c1)Oc1ccccc1-3,CHEMBL317921,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)c(F)c1)Oc1ccccc1-3,CHEMBL102754,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1cc(F)ccc1-3,CHEMBL108230,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-3,CHEMBL322575,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccc(F)cc1-3,CHEMBL106994,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccccc1-3,CHEMBL286595,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL320423,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL104347,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3,CHEMBL320632,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)cc1)Oc1ccccc1-3,CHEMBL323324,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Br)c1)Oc1ccccc1-3,CHEMBL430855,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Br)n1)Oc1ccccc1-3,CHEMBL101852,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1-3,CHEMBL431807,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1-3,CHEMBL418990,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,CHEMBL318513,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(Cl)cc1-3,CHEMBL319915,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(F)cc1-3,CHEMBL320164,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(Cl)cc1-3,CHEMBL104183,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccc(F)cc1-3,CHEMBL416411,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(Cl)c1)Oc1ccccc1-3,CHEMBL320690,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccc(Cl)cc1-3,CHEMBL322485,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccccc1-3,CHEMBL103237,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(Cl)cc1-3,CHEMBL318409,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccc(F)cc1-3,CHEMBL104037,1 +CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3,CHEMBL101914,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(Br)cc(Br)cc1-3,CHEMBL66198,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(C)cc(Cl)cc1-3,CHEMBL62798,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(Cl)cccc1-3,CHEMBL62714,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Br)cc1-3,CHEMBL62761,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(C#N)cc1-3,CHEMBL62227,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Cl)cc1-3,CHEMBL65743,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,CHEMBL418684,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cccc1-3,CHEMBL63610,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(Br)c(C=O)c1F,CHEMBL66650,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(-c2ccccc2)cc1-3,CHEMBL65307,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(Br)cc1-3,CHEMBL63870,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(C)cc1-3,CHEMBL294116,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(Cl)cc1-3,CHEMBL64123,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(F)cc1-3,CHEMBL65079,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,CHEMBL64294,1 +CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccccc1-3,CHEMBL67362,1 +CC1=CC(C)(C)Nc2ccc3c(c21)Cc1c(F)cccc1-3,CHEMBL91927,1 +CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc(Br)ccc1-3,CHEMBL446160,1 +CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])c(F)cc1-3,CHEMBL328804,1 +CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc([N+](=O)[O-])ccc1-3,CHEMBL330235,1 +CC1=CC(C)(C)Nc2ccc3c(c21)Cc1ccccc1-3,CHEMBL92730,1 +CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@@H]1C=CCCC1)Oc1c(F)cc(F)cc1-3,CHEMBL510305,1 +CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCCC(C)=C1C)Oc1c(F)cc(F)cc1-3,CHEMBL507532,1 +CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCC[C@@]2(C)O[C@@H]12)Oc1c(F)cc(F)cc1-3,CHEMBL507701,1 +CC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21,CHEMBL327551,1 +CC1=C[C@@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1,CHEMBL453579,1 +CC1=C[C@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1,CHEMBL510373,1 +CC1=NCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL519560,1 +CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL34824,1 +CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL32603,1 +CC1C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,CHEMBL324156,1 +CC1C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21,CHEMBL117322,1 +CC1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C,CHEMBL2419309,1 +CC1C(c2ccc3c(c2)NC(=O)CO3)=C(c2ccc(F)cc2)C(=O)N1C1CC1,CHEMBL2419296,1 +CC1C/C(=N/O)c2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL566125,1 +CC1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,CHEMBL93894,1 +CC1CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,CHEMBL156278,1 +CC1CC(C)(C)Nc2cc3nc(O)cc(C(F)(F)F)c3cc21,CHEMBL156142,1 +CC1CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,CHEMBL34882,1 +CC1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,CHEMBL63788,1 +CC1CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(F)cc1[N+](=O)[O-],CHEMBL65380,1 +CC1CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,CHEMBL293409,1 +CC1CC(O)c2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL568048,1 +CC1CC(c2ccc(Cl)c(Cl)c2)=NN1S(=O)(=O)c1ccc(Cl)cc1,CHEMBL190198,1 +CC1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1,CHEMBL148070,1 +CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12,CHEMBL3658377,1 +CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1,CHEMBL144680,1 +CC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21,CHEMBL415289,1 +CC1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1,CHEMBL227408,1 +CC1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1,CHEMBL366252,1 +CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F,CHEMBL227440,1 +CC1Cc2cc3c(C(F)(F)F)cc(O)nc3cc2NC1(C)C,CHEMBL160665,1 +CC1NC(=O)C(c2ccc(F)cc2)=C1c1cc(Cl)c2c(c1)NC(=O)CO2,CHEMBL2419300,1 +CC1NC(=O)C(c2ccc(F)cc2)=C1c1cc(F)c2c(c1)NC(=O)CO2,CHEMBL2419299,1 +CC1NC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419298,1 +CC1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1,CHEMBL164695,1 +CC1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(c2ccccc2)O1,CHEMBL165215,1 +CC1Nc2ccc(-c3ccc(C#N)s3)cc2C(C)(C)O1,CHEMBL164188,1 +CC1Nc2ccc(-c3ccc(F)c(C#N)c3)cc2C(C)(C)O1,CHEMBL165612,1 +CC1Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C(C)(C)O1,CHEMBL164908,1 +CC1Nc2ccc(-c3cccc(Cl)c3)cc2C(C)(C)O1,CHEMBL167928,1 +CC1Nc2ccc(-c3cccc(F)c3)cc2C(C)(C)O1,CHEMBL165148,1 +CC1Nc2ccc(-c3coc(C#N)c3)cc2C(C)(C)O1,CHEMBL167492,1 +CC1Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1,CHEMBL164139,1 +CC1Nc2ccc(-c3csc(C#N)c3)cc2C2(CCCCC2)O1,CHEMBL164080,1 +CC1OC(=O)C(c2ccc(F)cc2)=C1c1ccc2c(c1)NC(=O)CO2,CHEMBL2419306,1 +CC1OC(S)=Nc2ccc(-c3cccc(F)c3)cc21,CHEMBL24913,1 +CC1OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,CHEMBL446389,1 +CC1OCC(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL491205,1 +CC1c2cc3c(C(F)(F)F)cc(O)nc3cc2NC(C)(C)C1(C)C,CHEMBL157344,1 +CCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL4476493,1 +CCC(=O)N1CC[C@H](N(Cc2cc(Cl)ccc2Cl)c2ccc(C#N)c(Cl)c2)C1,CHEMBL589625,1 +CCC(=O)N1CC[C@H](N(Cc2cc(F)ccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL590100,1 +CCC(=O)N1CC[C@H](N(Cc2ccccc2Br)c2ccc(C#N)c(Cl)c2)C1,CHEMBL607030,1 +CCC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,CHEMBL600465,1 +CCC(=O)N1CC[C@H](N(Cc2ccccc2C)c2ccc(C#N)c(Cl)c2)C1,CHEMBL592532,1 +CCC(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL2203820,1 +CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,CHEMBL196003,1 +CCC(=O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1209235,1 +CCC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,CHEMBL4460554,1 +CCC(C)N1C[C@@H](N(Cc2ccccc2C)c2ccc(C#N)c(Cl)c2)CC1=O,CHEMBL552492,1 +CCC(CC)n1c(=O)[nH]c2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL438506,1 +CCC(CC)n1c(=S)[nH]c2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL429996,1 +CCC(CC)n1c(=S)[nH]c2ccc(-c3ccc(C#N)n3C)cc21,CHEMBL239958,1 +CCC(CC)n1c(=S)[nH]c2ccc(-c3ccc(F)c(Cl)c3)cc21,CHEMBL241437,1 +CCC(Cc1cc(C)c(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094484,1 +CCC(Cc1cc(C)cc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094476,1 +CCC(Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094478,1 +CCC(Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094477,1 +CCC(Cc1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094471,1 +CCC(Cc1ccc(C)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094474,1 +CCC(Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094482,1 +CCC(Cc1ccc(O)c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094485,1 +CCC(Cc1ccc(OC)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094481,1 +CCC(Cc1ccc2ccccc2c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094480,1 +CCC(Cc1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094470,1 +CCC(Cc1cccc(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094473,1 +CCC(Cc1cccc2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094479,1 +CCC(Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C,CHEMBL3094469,1 +CCC(O)c1ccc(-c2ccc(C#N)n2C)cc1,CHEMBL1209299,1 +CCC(c1nncn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL557293,1 +CCC(c1nnnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1,CHEMBL556892,1 +CCC/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL65014,1 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+O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(-c2ccccc2)cc1,CHEMBL1164248,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1,CHEMBL1164752,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(C2CCCCC2)cc1,CHEMBL1164338,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)c(Cl)c1,CHEMBL1163529,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)cc1,CHEMBL1163480,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(F)cc1,CHEMBL1163481,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1cccc(F)c1,CHEMBL1163485,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccccc1,CHEMBL1165353,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1,CHEMBL1164857,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1,CHEMBL1164856,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1,CHEMBL1163617,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1,CHEMBL1163625,1 +O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)c1cccc(Cl)c1,CHEMBL1163717,1 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+O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1,CHEMBL144068,1 +O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(F)cc2)=N1,CHEMBL144694,1 +O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1,CHEMBL145544,1 +O=C(c1ccc(Cl)cc1)N1CCCC(c2ccccc2)=N1,CHEMBL145346,1 +O=C(c1ccc(F)c(Br)c1)N1CCCC(c2ccccc2)=N1,CHEMBL262171,1 +O=C(c1ccc(F)c(F)c1)N1CCCC(c2ccccc2)=N1,CHEMBL144803,1 +O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1,CHEMBL343410,1 +O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)cc2)=N1,CHEMBL145744,1 +O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(F)cc2)=N1,CHEMBL415534,1 +O=C(c1cccc(Cl)c1)N1CCCC(c2ccccc2)=N1,CHEMBL357848,1 +O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1,CHEMBL3911549,1 +O=C1CCC(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1,CHEMBL144321,1 +O=C1COC(c2ccc(Cl)s2)(c2ccc(Cl)s2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1,CHEMBL488557,1 +O=C1COC(c2ccccc2)(c2ccccc2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1,CHEMBL527871,1 +O=C1COC(c2ccco2)(C(F)(F)C(F)(F)F)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1,CHEMBL488559,1 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+O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c(-c2ccccc2)s1,CHEMBL2436044,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)s1,CHEMBL2436034,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(C(=O)O)cc2F)c(-c2ccccc2)s1,CHEMBL2436043,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(-c2ccccc2)s1,CHEMBL2436041,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c(-c2ccccc2)s1,CHEMBL2436040,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(F)cc2C(=O)O)c(-c2ccccc2)s1,CHEMBL2436036,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(-c2ccccc2)s1,CHEMBL2436032,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2cccc(F)c2C(=O)O)c(-c2ccccc2)s1,CHEMBL2436035,1 +O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccccc2C(=O)O)c(-c2ccccc2)s1,CHEMBL2436033,1 +O=C(CCc1ccc(C(F)(F)P(=O)(O)O)cc1)Nc1cc(NC(=O)CCc2ccc(C(F)(F)P(=O)(O)O)cc2)cc(C(=O)NCCc2ccc(C(=O)O)cc2)c1,CHEMBL5269879,1 +O=C(CCc1ccc(C(F)(F)P(=O)(O)O)cc1)Nc1cc(NC(=O)CCc2ccc(C(F)(F)P(=O)(O)O)cc2)cc(C(=O)NCc2ccc(C(=O)O)cc2)c1,CHEMBL1161219,1 +O=C(CCc1ccccc1)NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O,CHEMBL1823757,1 +O=C(CCc1ccccc1)N[C@@H](Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)cc1)c1nc2ccccc2[nH]1,CHEMBL2113225,1 +O=C(CCn1cc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)S(=O)(=O)c2cccc3cccnc23)nn1)Nc1ccc(C(=O)O)c(O)c1,CHEMBL3632913,1 +O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)NC1CC1,CHEMBL2396719,1 +O=C(COc1ccc(/C=C2\C(=O)N(CC(=O)c3ccccc3)C(=O)N2CC(=O)c2ccccc2)cc1)c1ccccc1,CHEMBL3628461,1 +O=C(COc1ccc(Cl)cc1)NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O,CHEMBL1823756,1 +O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)N1c2ccccc2Sc2ccccc21,CHEMBL3985776,1 +O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccc(-c2nnn[nH]2)c1,CHEMBL4642505,1 +O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccc(OCc2ccccc2)cc1,CHEMBL4174951,1 +O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccc(Oc2ccccc2)cc1,CHEMBL4164305,1 +O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccccc1,CHEMBL4171689,1 +O=C(Cc1ccc(Cl)cc1)NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O,CHEMBL1823755,1 +O=C(Cc1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)Cc1ccccc1,CHEMBL5271227,1 +O=C(Cn1cc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)S(=O)(=O)c2cccc3cccnc23)nn1)Nc1ccc(C(=O)O)c(O)c1,CHEMBL3632912,1 +O=C(NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O)c1ccccc1,CHEMBL1823749,1 +O=C(NC1CCCCC1)c1ccc(-c2ccc(C(=O)NC3CCCCC3)s2)cc1,CHEMBL4648494,1 +O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,CHEMBL3220078,1 +O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccccc1[N+](=O)[O-],CHEMBL3220071,1 +O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1,CHEMBL261108,1 +O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1,CHEMBL3088258,1 +O=C(Nc1ccc(-c2ccc(NC(=O)C3CCCCC3)cn2)cc1)C1CCCCC1,CHEMBL3238205,1 +O=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1,CHEMBL3238193,1 +O=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1,CHEMBL3238194,1 +O=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)cc1)C1CCN(C(=O)c2ccco2)CC1,CHEMBL3238195,1 +O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1)c1ccc(F)cc1,CHEMBL3238204,1 +O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1,CHEMBL3238183,1 +O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3)cn2)cc1)c1ccccc1,CHEMBL3238203,1 +O=C(Nc1ccc(-c2ccc(NC(=O)c3ccco3)cn2)cc1)c1ccco1,CHEMBL3238202,1 +O=C(Nc1ccc(I)cc1)C(=O)Nc1ccc(NC(=O)C(c2ccccc2)S(=O)(=O)O)cc1,CHEMBL3609373,1 +O=C(Nc1ccc(NC(=O)C(c2ccccc2)S(=O)(=O)O)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1,CHEMBL3609374,1 +O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CO[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]2C(COCc3ccccc3)=CC[C@H]12,CHEMBL4798517,1 +O=C(Nc1ccc2c(c1)C(=O)C(=O)C=C2c1ccccc1)OCc1ccccc1,CHEMBL433065,1 +O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1,CHEMBL261362,1 +O=C(Nc1cccc2c1C(=O)C(=O)C=C2c1ccccc1)OCc1ccccc1,CHEMBL291310,1 +O=C(Nc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1,CHEMBL72757,1 +O=C(Nc1ccccc1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)cc1,CHEMBL4635749,1 +O=C(Nc1ccccc1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)s2)cc1,CHEMBL4646731,1 +O=C(Nc1ccccc1)c1ccc(-c2ncc(C(=O)Nc3ccccc3)s2)cc1,CHEMBL4635833,1 +O=C(Nc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1,CHEMBL261418,1 +O=C(Nc1ccccc1C(=O)O)c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)n1,CHEMBL2436026,1 +O=C(O)/C=C/C(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1O,CHEMBL1086020,1 +O=C(O)/C=C/c1ccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1,CHEMBL5281085,1 +O=C(O)/C=C/c1ccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)cc1,CHEMBL1242827,1 +O=C(O)/C=C/c1ccc(O)c(O)c1,CHEMBL145,1 +O=C(O)/C=C/c1cccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)c1,CHEMBL1241469,1 +O=C(O)/C=C\C(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1O,CHEMBL24140,1 +O=C(O)C(=O)N(c1cc(Cl)ccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL559892,1 +O=C(O)C(=O)N(c1cc(O)ccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL550542,1 +O=C(O)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL562238,1 +O=C(O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(=O)O,CHEMBL417564,1 +O=C(O)C(=O)N(c1ccccc1C(=O)O)c1c(O)ccc2ccccc12,CHEMBL563043,1 +O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cc([N+](=O)[O-])cc2ccccc12,CHEMBL551222,1 +O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccc(O)cc12,CHEMBL305785,1 +O=C(O)C(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O,CHEMBL139923,1 +O=C(O)C(=O)Nc1cc(-c2ccc(F)cc2)sc1C(=O)O,CHEMBL423546,1 +O=C(O)C(=O)Nc1cc(-c2ccc(O)cc2)sc1C(=O)O,CHEMBL337759,1 +O=C(O)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O,CHEMBL141481,1 +O=C(O)C(=O)Nc1cc(-c2ccsc2)sc1C(=O)O,CHEMBL138575,1 +O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O,CHEMBL342478,1 +O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1,CHEMBL2375447,1 +O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1,CHEMBL2375443,1 +O=C(O)C(=O)Nc1ccc(CC(c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1,CHEMBL2375445,1 +O=C(O)C(=O)Nc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1C(=O)O,CHEMBL259505,1 +O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1,CHEMBL2375444,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC(C1OCCO1)C2,CHEMBL341558,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC(O)C2,CHEMBL139356,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC1(C2)OCCO1,CHEMBL198589,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC2,CHEMBL139489,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCCC2,CHEMBL138152,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCCCC2,CHEMBL138151,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCC(c1ccccc1)c1ccccc1)C2,CHEMBL138106,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCCc1ccccc1)C2,CHEMBL424652,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccc(-c3ccccc3)cc1)C2,CHEMBL139196,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1cccc3ccccc13)C2,CHEMBL139074,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccc1)C2,CHEMBL140120,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccn1)C2,CHEMBL136867,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccncc1)C2,CHEMBL342603,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccsc1)C2,CHEMBL341947,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccc3ccccc3n1)C2,CHEMBL136316,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccc1)C2,CHEMBL138951,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccn1)C2,CHEMBL138277,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1cccnc1)C2,CHEMBL140757,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccncc1)C2,CHEMBL138240,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2,CHEMBL139393,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2CNC(=O)c1cc2cc(F)ccc2[nH]1,CHEMBL185891,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN[C@H]2CNC(=O)c1cc2cc(F)ccc2[nH]1,CHEMBL591998,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCO[C@H]2COC1=NS(=O)(=O)c2ccccc21,CHEMBL577144,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCS(=O)(=O)C2,CHEMBL343587,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCSC2,CHEMBL139423,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC[S+]([O-])C2,CHEMBL139422,1 +O=C(O)C(=O)Nc1sc2c(c1C(=O)O)COC(COC1=NS(=O)(=O)c3ccccc31)C2,CHEMBL5278790,1 +O=C(O)C(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)C(=O)O)cc3)c(C(=O)Nc3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)c2)cc1,CHEMBL1240534,1 +O=C(O)C(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)C(=O)O)cc3)c(C(=O)Nc3ccc(Oc4ccc(SC(F)(F)F)cc4)cc3)c2)cc1,CHEMBL1240789,1 +O=C(O)C(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)C(=O)O)cc3)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1,CHEMBL1240800,1 +O=C(O)C(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)C(=O)O)cc3)cc2)cc1,CHEMBL129681,1 +O=C(O)C(=O)c1sc2c(c1C(=O)O)CCN[C@@H]2CNCc1ccc(O)cc1,CHEMBL5272037,1 +O=C(O)C(CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL25486,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S,CHEMBL4464385,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S,CHEMBL4462926,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S,CHEMBL4473627,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S,CHEMBL4462172,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(Br)cc4)ccc3c2)SC1=S,CHEMBL4475724,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)SC1=S,CHEMBL4434712,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2)SC1=S,CHEMBL4450252,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccc(F)cc4)ccc3c2)SC1=S,CHEMBL4445615,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)SC1=S,CHEMBL4535547,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccccc4)ccc3c2)SC1=S,CHEMBL4445331,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc3cc(OCc4ccccc4Cl)ccc3c2)SC1=S,CHEMBL4474570,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)SC1=S,CHEMBL4445382,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S,CHEMBL4571252,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S,CHEMBL4544579,1 +O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S,CHEMBL4546939,1 +O=C(O)C(Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL25558,1 +O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]2C(COCc3ccccc3)=CC[C@H]12,CHEMBL4786441,1 +O=C(O)C1CC(=O)N(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1,CHEMBL2017842,1 +O=C(O)C1CCN(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1=O,CHEMBL2017843,1 +O=C(O)CC(CC(=O)c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CHEMBL3088268,1 +O=C(O)CC(CC(=O)c1ccccc1)c1ccc(Cn2c3ccccc3c3ccccc32)cc1,CHEMBL3088269,1 +O=C(O)CCC(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1O,CHEMBL24098,1 +O=C(O)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COc1ccc(C(=O)CBr)cc1)C(=O)O,CHEMBL105795,1 +O=C(O)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)c1ccccc1-c1ccc(C(=O)CBr)cc1)C(=O)O,CHEMBL102756,1 +O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,CHEMBL1935345,1 +O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S,CHEMBL1935346,1 +O=C(O)CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,CHEMBL1935343,1 +O=C(O)CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S,CHEMBL1935344,1 +O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,CHEMBL226156,1 +O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S,CHEMBL1935342,1 +O=C(O)CCCOc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL25584,1 +O=C(O)CCN1C(=O)/C(=C/c2ccc(OCCCCc3ccccc3)cc2)SC1=S,CHEMBL5432267,1 +O=C(O)CCN1C(=O)/C(=C/c2cccc(OCCCCc3ccccc3)c2)SC1=S,CHEMBL5410633,1 +O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,CHEMBL1935340,1 +O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S,CHEMBL1935341,1 +O=C(O)CCNc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1OCCc1ccccc1,CHEMBL280198,1 +O=C(O)CN(C(=O)Cc1ccccc1)c1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1,CHEMBL3088252,1 +O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)SC1=S,CHEMBL2216806,1 +O=C(O)CN1C(=O)/C(=C/c2ccc(OCCCCc3ccccc3)cc2)SC1=S,CHEMBL5410568,1 +O=C(O)CN1C(=O)/C(=C/c2cccc(OCCCCc3ccccc3)c2)SC1=S,CHEMBL5428185,1 +O=C(O)CN1C(=O)/C(=C/c2cccc(OCCc3ccccc3)c2)SC1=S,CHEMBL4459307,1 +O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S,CHEMBL1935337,1 +O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)SC1=S,CHEMBL1935327,1 +O=C(O)CN1C(=O)S/C(=C\c2cccc(OCCc3ccccc3)c2)C1=O,CHEMBL4448571,1 +O=C(O)CNc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1OCCc1ccccc1,CHEMBL284763,1 +O=C(O)COc1c(-c2nn[nH]n2)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL241070,1 +O=C(O)COc1c(Br)cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc1Br,CHEMBL108721,1 +O=C(O)COc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL24003,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(C(=O)Nc3ccccc3)cc2)c1Br,CHEMBL212285,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)CC(=O)O)cc2)c1Br,CHEMBL215335,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3ccccc3)cc2)c1Br,CHEMBL212232,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3cccnc3)cc2)c1Br,CHEMBL214378,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3ccco3)cc2)c1Br,CHEMBL387242,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1Br,CHEMBL383882,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc(O)cc2)c1Br,CHEMBL214502,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc3cc[nH]c3c2)c1Br,CHEMBL383967,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc3ccccc3c2)c1Br,CHEMBL215242,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccc3ccoc3c2)c1Br,CHEMBL215243,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC(=O)c3ccccc3)c2)c1Br,CHEMBL397254,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCC3)c2)c1Br,CHEMBL394852,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCC3)c2)c1Br,CHEMBL243940,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCCC3)c2)c1Br,CHEMBL243941,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(C(=O)NCc4ccccc4)CC3)c2)c1Br,CHEMBL396555,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)c2)c1Br,CHEMBL230643,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)c2)c1Br,CHEMBL390244,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL541214,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Cl,CHEMBL244563,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4C(F)(F)F)CC3)c2)c1Br,CHEMBL230751,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)c2)c1Br,CHEMBL230645,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1Br,CHEMBL244360,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCOCC3)c2)c1Br,CHEMBL394853,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCCCC3)c2)c1Br,CHEMBL243732,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(C(=O)Nc4ccccc4)CC3)c2)c1Br,CHEMBL230325,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(C(=O)Nc4ccccc4Cl)CC3)c2)c1Br,CHEMBL387614,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL388426,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1Br,CHEMBL429105,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCc3ccccc3)c2)c1Br,CHEMBL243731,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1Br,CHEMBL397255,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(O)c2)c1Br,CHEMBL213662,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(OC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,CHEMBL244564,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(OCC3CCN(C(=O)Nc4ccccc4)CC3)c2)c1Br,CHEMBL230543,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccc(OCc3ccccc3)c2)c1Br,CHEMBL394851,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccccc2)c1Br,CHEMBL213758,1 +O=C(O)COc1c(C(=O)O)sc(-c2cccnc2)c1Br,CHEMBL215656,1 +O=C(O)COc1c(C(=O)O)sc(-c2ccsc2)c1Br,CHEMBL373883,1 +O=C(O)COc1c(F)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1F,CHEMBL198496,1 +O=C(O)COc1c(F)ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)c1F,CHEMBL196850,1 +O=C(O)COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1ccc(C(F)(F)F)cc1,CHEMBL238138,1 +O=C(O)COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1cccc(C(F)(F)F)c1,CHEMBL515797,1 +O=C(O)COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1ccccc1,CHEMBL238137,1 +O=C(O)COc1c(O)cc(-c2ccc(C(F)(F)F)cc2)cc1OCc1ccc(C(F)(F)F)cc1,CHEMBL236636,1 +O=C(O)COc1c(O)cc(-c2cccc(C(F)(F)F)c2)cc1OCc1ccc(C(F)(F)F)cc1,CHEMBL237915,1 +O=C(O)COc1c(O)cc(-c2cccc(C(F)(F)F)c2)cc1OCc1ccccc1,CHEMBL236216,1 +O=C(O)COc1cc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc1C(=O)O,CHEMBL388425,1 +O=C(O)COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1,CHEMBL138257,1 +O=C(O)COc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1C1CCCC1,CHEMBL282372,1 +O=C(O)COc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1-c1ccccc1,CHEMBL24213,1 +O=C(O)COc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL283635,1 +O=C(O)COc1ccc(-c2nocc3c(C(=O)c4cccc(C(F)(F)F)c4)ccc2-3)cc1,CHEMBL202573,1 +O=C(O)COc1ccc(C(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,CHEMBL197827,1 +O=C(O)COc1ccc(CC2=C(c3ccccc3)c3ccccc3C(=O)C2=O)cc1,CHEMBL301436,1 +O=C(O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1,CHEMBL57841,1 +O=C(O)COc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1C(=O)O,CHEMBL406646,1 +O=C(O)COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,CHEMBL371083,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(Br)c(C(F)(F)P(=O)(O)O)c2)cc1,CHEMBL1938815,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1,CHEMBL371929,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)c(F)c2)cc1,CHEMBL1938816,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,CHEMBL198882,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C3CC(=O)NS3(=O)=O)c(Br)c2)cc1,CHEMBL1938822,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C3CC(=O)NS3(=O)=O)c(F)c2)cc1,CHEMBL1938823,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)cc1,CHEMBL1938820,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(F)c(C(F)(F)P(=O)(O)O)c2)cc1,CHEMBL1938817,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(NC(=O)C(=O)O)c(C(=O)O)c2)cc1,CHEMBL445680,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(OCC(=O)O)c(Br)c2)cc1,CHEMBL407722,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(OCC(=O)O)c(C(=O)O)c2)cc1,CHEMBL259456,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(Br)c(C(F)(F)P(=O)(O)O)cc3c2)cc1,CHEMBL1938824,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(Br)c(C(F)(F)P(=O)(O)O)cc3n2)cc1,CHEMBL1938825,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(F)c(C(F)(F)P(=O)(O)O)cc3c2)cc1,CHEMBL1938828,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(F)c(C(F)(F)P(=O)(O)O)cc3n2)cc1,CHEMBL1938829,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)Cc2cccs2)cc1,CHEMBL197929,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)c2ccc(-c3csnn3)cc2)cc1,CHEMBL197681,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,CHEMBL198220,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,CHEMBL372973,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1Br,CHEMBL197884,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1C(F)(F)F,CHEMBL383777,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1Cl,CHEMBL370304,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1F,CHEMBL362917,1 +O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1OC(F)(F)F,CHEMBL197910,1 +O=C(O)[C@@H](CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc1Br,CHEMBL326425,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S,CHEMBL2153198,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,CHEMBL2153058,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S,CHEMBL2153059,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S,CHEMBL2153200,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S,CHEMBL2153199,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)SC1=S,CHEMBL2153196,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S,CHEMBL2153195,1 +O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2Cl)SC1=S,CHEMBL2153203,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3oc4ccccc4c23)cc1Br,CHEMBL324232,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc1Br,CHEMBL290496,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL1083714,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1c(I)cc(-c2c3ccccc3cc3sc4ccccc4c23)cc1I,CHEMBL416598,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(C(O)c4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL1083270,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccc(F)cc4)sc4ccccc34)cc2)cc1,CHEMBL1083271,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccc(O)cc4O)sc4ccccc34)cc2)cc1,CHEMBL3350939,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL188928,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1[N+](=O)[O-],CHEMBL1086228,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1,CHEMBL1084871,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1-c1ccc(Cl)cc1,CHEMBL1082298,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL187610,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccn4)sc4ccccc34)cc2)cc1,CHEMBL3350945,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4nccs4)sc4ccccc34)cc2)cc1,CHEMBL3350946,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3ccsc3Cc3ccccc3)cc2)cc1,CHEMBL3350941,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3oc4ccccc4c3Cc3ccccc3)cc2)cc1,CHEMBL3350942,1 +O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1,CHEMBL3088264,1 +O=C(O)[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL3350948,1 +O=C(O)[C@H](CCc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL1082299,1 +O=C(O)[C@H](CCc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL1085961,1 +O=C(O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1,CHEMBL1667958,1 +O=C(O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1,CHEMBL1667960,1 +O=C(O)[C@H](Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1Br,CHEMBL1086226,1 +O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccc(F)cc34)cc2)cc1,CHEMBL3350947,1 +O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL365490,1 +O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1Br,CHEMBL366281,1 +O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1C1CCCC1,CHEMBL1086230,1 +O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ncccc34)cc2)cc1,CHEMBL3350943,1 +O=C(O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1,CHEMBL1667957,1 +O=C(O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1,CHEMBL1667959,1 +O=C(O)[C@H](Oc1ccc(-c2ccc(-c3c(Cc4ccc(O)cc4O)sc4ccccc34)cc2)cc1)c1ccccc1,CHEMBL1082937,1 +O=C(O)[C@H](Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)c1ccccc1,CHEMBL193134,1 +O=C(O)c1cc(-c2ccc(CC(C(=O)c3cc(F)cc(F)c3)c3ccc(F)cc3)cc2)no1,CHEMBL2017845,1 +O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)no1,CHEMBL2017848,1 +O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)no1,CHEMBL2017847,1 +O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)cc2)no1,CHEMBL2017846,1 +O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)no1,CHEMBL2017836,1 +O=C(O)c1cc(-c2ccc(CC(c3ccccc3)c3nc(-c4ccccc4)no3)cc2)no1,CHEMBL2017851,1 +O=C(O)c1cc(-c2ccccc2)cc(Cc2cc(-c3ccccc3)cc(C(=O)O)c2O)c1O,CHEMBL228563,1 +O=C(O)c1cc(/C=C/c2ccc(/C=C/c3cc(Br)c(O)c(C(=O)O)c3)cc2)cc(Br)c1O,CHEMBL455694,1 +O=C(O)c1cc(/C=C/c2ccc(/C=C/c3cc(C(=O)O)c(O)c(-c4ccco4)c3)cc2)cc(-c2ccco2)c1O,CHEMBL453868,1 +O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O,CHEMBL228397,1 +O=C(O)c1cc(Cc2cc(Cc3ccccc3)c(O)c(C(=O)O)c2)cc(Cc2ccccc2)c1O,CHEMBL3706920,1 +O=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)P(=O)(O)O)cc2)ccc1O,CHEMBL198977,1 +O=C(O)c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)ccc1O,CHEMBL441959,1 +O=C(O)c1cc2c(/C=C\c3cc(F)cc(F)c3)c(-c3ccccc3)oc2cc1O,CHEMBL2311593,1 +O=C(O)c1cc2c(/C=C\c3ccc(OC(F)(F)F)cc3)c(-c3ccccc3)oc2cc1O,CHEMBL2316897,1 +O=C(O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(-c3ccccc3)oc2cc1O,CHEMBL2316906,1 +O=C(O)c1cc2c(C#Cc3ccc(F)cc3F)c(-c3ccccc3)oc2cc1O,CHEMBL2316910,1 +O=C(O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)oc2cc1O,CHEMBL2316908,1 +O=C(O)c1cc2c(C#Cc3cccc(C(F)(F)F)c3)c(-c3ccccc3)oc2cc1O,CHEMBL2316902,1 +O=C(O)c1cc2c(C#Cc3cccc(Cl)c3)c(-c3ccccc3)oc2cc1O,CHEMBL2316905,1 +O=C(O)c1cc2c(C#Cc3cccc(F)c3)c(-c3ccccc3)oc2cc1O,CHEMBL2316904,1 +O=C(O)c1cc2c(CCc3ccc(OC(F)(F)F)cc3)c(-c3ccccc3)oc2cc1O,CHEMBL2316895,1 +O=C(O)c1cc2c(CCc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)oc2cc1O,CHEMBL2316896,1 +O=C(O)c1cc2c(CCc3cccc(C(F)(F)F)c3)c(-c3ccccc3)oc2cc1O,CHEMBL2316894,1 +O=C(O)c1cc2oc3c(Oc4ccc(-c5ccc(O)c(O)c5)cc4O)cc(O)cc3c2cc1O,CHEMBL251261,1 +O=C(O)c1cc2oc3c(Oc4ccc(-c5ccc(OS(=O)(=O)O)c(O)c5)cc4O)cc(O)cc3c2cc1O,CHEMBL251431,1 +O=C(O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1O,CHEMBL1160384,1 +O=C(O)c1ccc(-c2ccc(Cc3c(-c4ccc(O)cc4)oc4cc(O)ccc4c3=O)cc2)cc1O,CHEMBL495142,1 +O=C(O)c1ccc(-c2ccc(Cc3c(-c4ccc(O)cc4)oc4ccccc4c3=O)cc2)cc1O,CHEMBL494537,1 +O=C(O)c1ccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)cc1,CHEMBL1242735,1 +O=C(O)c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1,CHEMBL4638054,1 +O=C(O)c1ccc(/C=N/OCc2ccc(-c3cccc(C(F)(F)P(=O)(O)O)c3)cc2)o1,CHEMBL1766712,1 +O=C(O)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(C(=O)c2ccccc2)c2ccccc2)cc1,CHEMBL8660,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)S/C2=N\c2ccc(F)cc2)cc1,CHEMBL4061225,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)S/C2=N\c2ccccc2)cc1,CHEMBL3098852,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCCc4ccccc4)cc3)SC2=S)cc1,CHEMBL4099520,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(F)c3)S/C2=N\c2ccccc2)cc1,CHEMBL3098857,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S/C2=N\c2ccc(C(F)(F)F)cc2)cc1,CHEMBL2011701,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S/C2=N\c2ccc(F)cc2)cc1,CHEMBL4080177,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S/C2=N\c2ccccc2)cc1,CHEMBL477262,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1,CHEMBL4091784,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)S/C2=N\c2ccc(C(F)(F)F)cc2)cc1,CHEMBL2011699,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)S/C2=N\c2ccc(F)cc2)cc1,CHEMBL4062661,1 +O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)S/C2=N\c2ccccc2)cc1,CHEMBL478274,1 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+O=C(O)c1ccc(COc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1,CHEMBL280992,1 +O=C(O)c1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccc(C(=O)O)cc4)C3=O)cc2)cc1,CHEMBL2158214,1 +O=C(O)c1ccc(COc2cccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccc(C(=O)O)cc4)C3=O)c2)cc1,CHEMBL1765349,1 +O=C(O)c1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1,CHEMBL1160380,1 +O=C(O)c1ccc(NC(=O)c2csc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)C3CCCCC3)n2)cc1,CHEMBL2436028,1 +O=C(O)c1ccc(S(=O)(=O)Oc2c(Br)cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2Br)cc1O,CHEMBL285307,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(C(=O)c5ccccc5)oc5ccccc45)cc3)cc2C2CCCC2)cc1O,CHEMBL24481,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(C(=O)c5ccccc5)oc5ccccc45)cc3)cc2[N+](=O)[O-])cc1O,CHEMBL278094,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1,CHEMBL276983,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1O,CHEMBL23998,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2C2CCCC2)cc1O,CHEMBL24331,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2[N+](=O)[O-])cc1O,CHEMBL538903,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2)cc1O,CHEMBL25368,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2Br)cc1O,CHEMBL285308,1 +O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc45)cc3)cc2)cc1O,CHEMBL24900,1 +O=C(O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,CHEMBL244695,1 +O=C(O)c1cccc(-c2ccc(Cc3c(-c4ccc(O)cc4)oc4cc(O)ccc4c3=O)cc2)c1,CHEMBL493122,1 +O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3ccc(Cl)c(Cl)c3)cc2)c1,CHEMBL5206722,1 +O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3cccc(Cl)c3)cc2)c1,CHEMBL5179597,1 +O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3cccc([N+](=O)[O-])c3)cc2)c1,CHEMBL5185543,1 +O=C(O)c1cccc(/C=C/c2ccc(Oc3cnoc3-c3ccccc3Cl)cc2)c1,CHEMBL5190487,1 +O=C(O)c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)(O)O)cc3n2)c1,CHEMBL411295,1 +O=C(O)c1cccc(NC(=O)c2csc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)C3CCCCC3)n2)c1,CHEMBL2436027,1 +O=C(O)c1cccc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)C3CCCCC3)sc2-c2ccccc2)c1,CHEMBL2436030,1 +O=C(O)c1cccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)c1,CHEMBL287278,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4cc(Br)c(C(=O)[C@H](Cc5ccccc5)C(=O)O)c(Br)c4)n3)cc12,CHEMBL1241314,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(I)cc4)n3)cc12,CHEMBL1242736,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCCC5)cc4)n3)cc12,CHEMBL1242362,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCCCC5)cc4)n3)cc12,CHEMBL1242553,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCOCC5)cc4)n3)cc12,CHEMBL1242642,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc12,CHEMBL1242552,1 +O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4cccc(I)c4)n3)cc12,CHEMBL1242826,1 +O=C(O)c1ccccc1C(=O)NCCC(Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br)C(=O)O,CHEMBL25322,1 +O=C(O)c1ccccc1C(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1O,CHEMBL284363,1 +O=C(O)c1coc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)n1,CHEMBL2017839,1 +O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)n1,CHEMBL2017850,1 +O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)n1,CHEMBL2017849,1 +O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)n1,CHEMBL2017840,1 +O=C(O)c1csc(-c2ccc(CC(c3ccc(F)cc3)c3nc(-c4cccc(F)c4)no3)cc2)n1,CHEMBL2017854,1 +O=C(O)c1nnc(-c2ccc(-c3ccccc3)cc2)o1,CHEMBL3394773,1 +O=C(OC1CSSC1)c1ccc(Br)cc1,CHEMBL2419098,1 +O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2cc(Br)ccc2Br)cc1,CHEMBL3402413,1 +O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2ccccc2F)cc1,CHEMBL3402407,1 +O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2ccccc2[N+](=O)[O-])cc1,CHEMBL3402410,1 +O=C(OC1CSSC1)c1ccc(C#CCCOC(=O)c2cc(Br)ccc2Br)cc1,CHEMBL3402419,1 +O=C(OC1CSSC1)c1ccc(CCCCCCOC(=O)c2cc(Br)ccc2Br)cc1,CHEMBL3402418,1 +O=C(OC1CSSC1)c1ccc(OCCCCCCOC(=O)c2cc(Br)ccc2Br)cc1,CHEMBL3402417,1 +O=C(OC1CSSC1)c1ccc(OCCOC(=O)c2cc(Br)ccc2Br)cc1,CHEMBL3402415,1 +O=C(OC1CS[S+]([O-])C1)c1cc(Br)ccc1Br,CHEMBL2419072,1 +O=C(OC1OC[C@@H](OC(=O)c2ccc(O)c(O)c2)[C@H](OC(=O)c2ccc(O)c(O)c2)[C@H]1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,CHEMBL4103235,1 +O=C(OCC(COC(=O)c1cc(O)c(O)c(Br)c1)OC(=O)c1cc(O)c(O)c(Br)c1)c1cc(O)c(O)c(Br)c1,CHEMBL4068962,1 +O=C(OCC(COC(=O)c1ccc(O)c(O)c1)OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,CHEMBL4095475,1 +O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1ccc(F)cc1,CHEMBL3402409,1 +O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1ccc([N+](=O)[O-])cc1,CHEMBL3402412,1 +O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1cccc(F)c1,CHEMBL3402408,1 +O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1cccc([N+](=O)[O-])c1,CHEMBL3402411,1 +O=C(OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(Br)c2)[C@H](OC(=O)c2cc(O)c(O)c(Br)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(Br)c1)c1cc(O)c(O)c(Br)c1,CHEMBL4097758,1 +O=C(OC[C@H]1OC(OC(=O)c2ccc(O)c(O)c2)[C@H](OC(=O)c2ccc(O)c(O)c2)[C@@H]1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,CHEMBL4085304,1 +O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CHEMBL206710,1 +O=C(OCc1ccccc1)C(Cc1ccc(C(F)(F)C(=O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OCc1ccccc1,CHEMBL9046,1 +O=C(OCc1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)OCc1ccccc1,CHEMBL267954,1 +O=C(OCc1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(c1ccccc1)n1nnc2ccccc21,CHEMBL267245,1 +O=C(O[C@@H]1OC[C@@H](OC(=O)c2cc(O)c(O)c(Br)c2)[C@H](OC(=O)c2cc(O)c(O)c(Br)c2)[C@H]1OC(=O)c1cc(O)c(O)c(Br)c1)c1cc(O)c(O)c(Br)c1,CHEMBL4079730,1 +O=C(O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccccc3)c(O)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,CHEMBL510229,1 +O=C(O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](C(=O)O)O[C@@H](C2=CC(=O)c3ccccc3C2=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,CHEMBL502436,1 +O=C(c1cc(O)c(O)c(Br)c1Br)c1c(Br)c(O)c(O)c(Br)c1Br,CHEMBL2016662,1 +O=C(c1ccc(CN(Cc2ccc(C(=O)C(F)(F)P(=O)(O)O)cc2)S(=O)(=O)c2cc(F)ccc2F)cc1)C(F)(F)P(=O)(O)O,CHEMBL5288250,1 +O=C(c1ccc(CN(Cc2ccc(C(=O)C(F)(F)P(=O)(O)O)cc2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1)C(F)(F)P(=O)(O)O,CHEMBL5267531,1 +O=C(c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(F)(F)P(=O)(O)O,CHEMBL199159,1 +O=C(c1ccc(O)cc1)N(Cc1ccc(-c2csnn2)cc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL424840,1 +O=C(c1ccc(O)cc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,CHEMBL474021,1 +O=C(c1ccc2c(-c3ccc(OC(C(=O)O)C(=O)O)cc3)nocc1-2)C1CCCC1,CHEMBL202219,1 +O=C(c1ccccc1)C(C/C=C/c1ccccc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)c1ccccc1,CHEMBL9087,1 +O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)c1ccccc1,CHEMBL8758,1 +O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)c(Cl)c1)c1ccccc1,CHEMBL428651,1 +O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)c1ccccc1,CHEMBL266056,1 +O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)c1ccccc1,CHEMBL267022,1 +O=C(c1ccccc1)C(Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1)(Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1)n1nnc2ccccc21,CHEMBL1938814,1 +O=C(c1ccccc1)C(Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1)(c1ccc2cc(C(F)(F)P(=O)(O)O)c(Br)cc2c1)n1nnc2ccccc21,CHEMBL5275241,1 +O=C(c1ccccc1)C(c1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL400572,1 +O=C(c1ccccc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,CHEMBL24501,1 +O=C(c1ccccc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1,CHEMBL1083269,1 +O=C1/C(=C/c2ccc(-c3ccccc3)cc2)NC(=S)C1c1ccccc1,CHEMBL4636382,1 +O=C1/C(=C/c2ccc(-c3ccccc3)cc2)NC(=S)N1c1ccccc1,CHEMBL5277409,1 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O,CHEMBL565795,1 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCS(=O)(=O)O,CHEMBL565810,1 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1CCS(=O)(=O)O,CHEMBL567069,1 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O,CHEMBL584481,1 +O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)O,CHEMBL565371,1 +O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N(Cc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1,CHEMBL3628464,1 +O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N(Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl,CHEMBL3628463,1 +O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)N(Cc2ccccc2Cl)C(=O)N1Cc1ccccc1Cl,CHEMBL3628384,1 +O=C1/C(=N/CCc2cc(Br)c(O)c(Br)c2)C=C(O)c2cccnc21,CHEMBL336095,1 +O=C1/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc(C(F)(F)F)cc1,CHEMBL4750975,1 +O=C1/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc(Cl)cc1,CHEMBL4746515,1 +O=C1/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc([N+](=O)[O-])cc1,CHEMBL4762771,1 +O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2cnncc21,CHEMBL340653,1 +O=C1C=C(C2CCCC2)c2ccccc2C1=O,CHEMBL58288,1 +O=C1C=C(Cc2ccccc2)c2ccccc2C1=O,CHEMBL292386,1 +O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O,CHEMBL61245,1 +O=C1C=C(c2c[nH]c3cc(C(=O)O)ccc23)c2ccccc2C1=O,CHEMBL435374,1 +O=C1C=C(c2c[nH]c3ccc(C(=O)O)cc23)c2ccccc2C1=O,CHEMBL300119,1 +O=C1C=C(c2cc(Cl)ccc2Cl)c2ccccc2C1=O,CHEMBL58747,1 +O=C1C=C(c2cc(F)ccc2F)c2ccccc2C1=O,CHEMBL58762,1 +O=C1C=C(c2ccc(-c3ccccc3)cc2)c2ccccc2C1=O,CHEMBL58287,1 +O=C1C=C(c2ccc(O)cc2)c2ccccc2C1=O,CHEMBL59402,1 +O=C1C=C(c2cccc3ccccc23)c2ccccc2C1=O,CHEMBL59240,1 +O=C1C=C(c2ccccc2)c2ccccc2C1=O,CHEMBL51447,1 +O=C1C=C(c2ccccc2O)c2ccccc2C1=O,CHEMBL60925,1 +O=C1C=C(c2ccccc2[N+](=O)[O-])c2ccccc2C1=O,CHEMBL59239,1 +O=C1C=C(n2ccc3ccccc32)c2ccc(OC(Cc3ccccc3)C(=O)O)cc2C1=O,CHEMBL298849,1 +O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)cc2)C=C1,CHEMBL3394769,1 +O=C1C=CC(=O)C([C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)=C1,CHEMBL451520,1 +O=C1C=CC(=O)C([C@@H]2O[C@H](Cn3cc(COC(=O)c4cccc(C(=O)OCc5cn(C[C@H]6O[C@@H](C7=CC(=O)C=CC7=O)[C@H](OC(=O)c7ccccc7)[C@@H](OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)c4)nn3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)=C1,CHEMBL446857,1 +O=C1C=CC(=O)C([C@@H]2O[C@H](Cn3cc(COC(=O)c4cccc(C(=O)OCc5cn(C[C@H]6O[C@@H](C7=CC(=O)C=CC7=O)[C@H](OC(=O)c7ccccc7)[C@@H](OC(=O)c7ccccc7)[C@H]6OC(=O)c6ccccc6)nn5)c4)nn3)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)=C1,CHEMBL510405,1 +O=C1C=Cc2ccccc2C1=O,CHEMBL52347,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3c(Cl)cccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL377613,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3c(F)cccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL209197,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL206950,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cc(Cl)ccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL207645,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL210324,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL264347,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4c(O)cccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL377138,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL377816,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL378747,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(F)ccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL378746,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL211033,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL377774,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL207489,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL210965,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL210159,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Cl)cc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL378992,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(F)c(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL207492,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL380164,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL437119,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(Br)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL209107,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NCCN3)cc2)S(=O)(=O)N1,CHEMBL401833,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)N1,CHEMBL252710,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@@H](c4ccccc4)N3)cc2)S(=O)(=O)N1,CHEMBL403116,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)N1,CHEMBL254301,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@H](c4ccccc4)N3)cc2)S(=O)(=O)N1,CHEMBL403117,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL436933,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(-c4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL403908,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(CCCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL403681,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(CCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL253269,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(CCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL403680,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(Cc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL252277,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc[nH]3)cc2)S(=O)(=O)N1,CHEMBL254513,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL212147,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(Cl)c3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL208984,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)C3=NC[C@@H](CCc4ccccc4)N3)cc2)S(=O)(=O)N1,CHEMBL403577,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)C3=NC[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)N1,CHEMBL253475,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)C3=NC[C@@H](Cc4ccccc4F)N3)cc2)S(=O)(=O)N1,CHEMBL428589,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL424880,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(-c4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL253282,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(CCCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL253478,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(CCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL253500,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(CCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL403746,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(Cc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,CHEMBL404319,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3Br)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL209180,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL209304,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL211990,1 +O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL210837,1 +O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL3901092,1 +O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4cc(Cl)ccc4[nH]3)cc2F)S(=O)(=O)N1,CHEMBL377141,1 +O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2Br)S(=O)(=O)N1,CHEMBL212319,1 +O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)N1,CHEMBL208114,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4c(Br)cccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL246870,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4c(C(F)(F)F)cccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL245831,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4c(Cl)cccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL246454,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4c(F)cccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL246038,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4cc(Br)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL394382,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4cc(C(F)(F)F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL393682,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4cc(Cl)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL246452,1 +O=C1CC(c2ccc(C[C@H](Nc3nc4cc(F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1,CHEMBL246036,1 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+O=C1Oc2cc(O)c3c(c2[C@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@@H](O)C3,CHEMBL4644603,1 +O=C1Oc2cc(O)c3c(c2[C@]12c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@@H](O)C3,CHEMBL4640921,1 +O=C1c2c(O)cc(O)c3c2[C@@H]2[C@@H](c4ccccc4O[C@H]2c2cccc(O)c2-3)[C@H]1O,CHEMBL403411,1 +O=C1c2ccccc2C(=O)c2c1cc(O)c(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2O,CHEMBL5220593,1 +O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O,CHEMBL5220938,1 +O=Cc1coc2cc(-c3ccc(-c4ccccc4)cc3)ccc2c1=O,CHEMBL559311,1 +O=Cc1coc2ccc(-c3ccc(-c4ccccc4)cc3)cc2c1=O,CHEMBL87536,1 +O=P(O)(Cc1cc2c(O)c(c1)Cc1cc(CP(=O)(O)c3ccccc3)cc(c1O)Cc1cc(CP(=O)(O)c3ccccc3)cc(c1O)Cc1cc(CP(=O)(O)c3ccccc3)cc(c1O)C2)c1ccccc1,CHEMBL4530344,1 +O=P(O)(Cc1cc2c(O)c(c1)S(=O)(=O)c1cc(CP(=O)(O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(=O)(O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(=O)(O)c3ccccc3)cc(c1O)S2(=O)=O)c1ccccc1,CHEMBL4569405,1 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+O=S(=O)(Nc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3)nc2c1)c1ccc(Cl)c(C(F)(F)F)c1,CHEMBL4169499,1 +O=S(=O)(Nc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3)nc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL4166077,1 +O=S(=O)(Nc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3)nc2c1)c1ccc(F)c(C(F)(F)F)c1,CHEMBL4531228,1 +O=S(=O)(Nc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3)nc2c1)c1ccc2ccccc2c1,CHEMBL4531689,1 +O=S(=O)(Nc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3)nc2c1)c1ccc2ncsc2c1,CHEMBL4545651,1 +O=S(=O)(Nc1ccc2oc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)nc2c1)c1ccc(Cl)s1,CHEMBL4590591,1 +O=S(=O)(O)C(F)(F)c1ccc(-c2cccc(F)c2)cc1,CHEMBL2087700,1 +O=S(=O)(O)C(F)(F)c1cccc(-c2ccc(-c3ccccc3)cc2)c1,CHEMBL602117,1 +O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1,CHEMBL425511,1 +O=S(=O)(O)c1cc(O)c2cccc(/N=N/c3cccc4c(O)cc(S(=O)(=O)O)cc34)c2c1,CHEMBL4476561,1 +O=S(=O)(O)c1ccc2cc(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1,CHEMBL472004,1 +O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1,CHEMBL5266431,1 +O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nc4cc(NS(=O)(=O)c5ccc(Cl)s5)ccc4o3)cc2)ccc1Cl,CHEMBL4167333,1 +O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc(-c4ccc(NS(=O)(=O)c5ccc(Cl)s5)cc4)nc3c2)ccc1Cl,CHEMBL4161583,1 +O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1,CHEMBL199124,1 +O=c1c(-c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,CHEMBL515252,1 +O=c1c(Cc2ccc(-c3ccc(O)c(O)c3)cc2)c(-c2ccc(O)cc2)oc2cc(O)ccc12,CHEMBL521821,1 +O=c1c(Cc2ccc(-c3ccc(O)c(O)c3)cc2)c(-c2ccc(O)cc2)oc2ccccc12,CHEMBL523885,1 +O=c1c(Cc2ccc(-c3ccccc3)cc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)cc12,CHEMBL515146,1 +O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,CHEMBL187265,1 +O=c1c2cc(O)c(O)cc2oc2cc(OCc3cccc(Cl)c3F)cc(O)c12,CHEMBL5290331,1 +O=c1cc(-c2ccc(O)c(-c3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)c2)oc2cc(O)cc(O)c12,CHEMBL272861,1 +O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,CHEMBL63354,1 +O=c1cc(-c2ccc(O)c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c2)oc2cc(O)cc(O)c12,CHEMBL63677,1 +O=c1cc(-c2ccc(O)cc2)oc2c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12,CHEMBL1208973,1 +O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CHEMBL463145,1 +O=c1ccc2cc(S(=O)(=O)Nc3ccc(-c4nc5cc(NS(=O)(=O)c6ccc7oc(=O)ccc7c6)ccc5o4)cc3)ccc2o1,CHEMBL3924724,1 +O=c1oc(/C=C/c2ccc(O)c(O)c2)cc(O)c1-c1cc(O)c(O)cc1/C=C/c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1,CHEMBL221760,1 +OC[C@H]1O[C@@H](O[C@@H]2c3ccccc3[C@H](O)C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEMBL4561426,1 +OCc1ccc(-c2ccc(O)cc2O)c(C(O)(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1,CHEMBL3394771,1 +Oc1c(Br)cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc1Br,CHEMBL109290,1 +Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL24267,1 +Oc1c(I)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1I,CHEMBL24712,1 +Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br,CHEMBL374829,1 +Oc1cc(-c2ncc(-c3ccc(OCc4ccccc4)cc3)o2)c(Br)c(Br)c1O,CHEMBL4530291,1 +Oc1cc(-c2ncc(-c3ccc(OCc4ccccc4)cc3)o2)cc(Br)c1O,CHEMBL4439769,1 +Oc1cc(-c2ncc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)o2)c(Br)c(Br)c1O,CHEMBL4588870,1 +Oc1cc(-c2ncc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)o2)cc(Br)c1O,CHEMBL4548732,1 +Oc1cc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)o2)c(Br)c(Br)c1O,CHEMBL4580396,1 +Oc1cc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)o2)cc(Br)c1O,CHEMBL4468432,1 +Oc1cc(-c2ncc(-c3ccccc3)o2)c(Br)c(Br)c1O,CHEMBL4531749,1 +Oc1cc(-c2ncc(-c3ccccc3)o2)cc(Br)c1O,CHEMBL4444674,1 +Oc1cc(Cc2cc(Br)c(O)c(Br)c2Br)c(Br)c(Br)c1O,CHEMBL2386063,1 +Oc1cc(Cc2cc(O)c(Br)c(Br)c2Br)c(Br)c(Br)c1O,CHEMBL5266281,1 +Oc1ccc(-c2ccc(-c3c(Cc4ccc(O)cc4O)sc4ccccc34)cc2)cc1,CHEMBL24032,1 +Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,CHEMBL282306,1 +Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,CHEMBL24606,1 +Oc1ccc(-c2ncc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)o2)cc1O,CHEMBL4166697,1 +Oc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)o2)cc1O,CHEMBL4170059,1 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+CC(C)(C)c1ccc(-c2cccc(-c3cc(C(N)=O)cc(C(=O)O)c3)c2)cc1,CHEMBL202667,1 +CC(C)(C)c1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1,CHEMBL3892598,1 +CC(C)(C)c1ccc(Oc2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1,CHEMBL2385510,1 +CC(C)/C=C/C1=C(O)C(=O)c2ccccc2C1=O,CHEMBL62718,1 +CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,CHEMBL15193,1 +CC(C)=CCC1=C(OS(=O)(=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O,CHEMBL2023282,1 +CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O,CHEMBL253467,1 +CC(C)C1CC(=O)c2nnn(-c3cc(F)c(-c4ccccc4F)c(F)c3)c2C1,CHEMBL4640504,1 +CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O,CHEMBL155771,1 +CC(C)CNC(=O)c1cc(C(=O)NCc2ccccc2)nn1-c1ccc(Cl)cc1,CHEMBL141304,1 +CC(C)COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OCC(C)C,CHEMBL5178031,1 +CC(C)COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,CHEMBL5408286,1 +CC(C)Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1,CHEMBL4224742,1 +CC(C)N(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)cs1,CHEMBL3937185,1 +CC(C)Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,CHEMBL5408707,1 +CC(C)c1ccc(-c2c(F)cc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2F)cc1,CHEMBL4636651,1 +CC(C)c1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1,CHEMBL3818257,1 +CC(C)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1,CHEMBL4229141,1 +CC(C)c1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1C#N,CHEMBL118468,1 +CC/C(=C\CO)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5421173,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cc(F)c(F)c(F)c2)c(C(=O)OC)c1,CHEMBL1929446,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(Cl)cc2)c(C(=O)OC)c1,CHEMBL1929438,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)c(F)c2)c(C(=O)OC)c1,CHEMBL1929445,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)cc2)c(C(=O)OC)c1,CHEMBL1929435,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)cc2C)c(C(=O)OC)c1,CHEMBL1929443,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)cc2F)c(C(=O)OC)c1,CHEMBL1929441,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)cc2OC)c(C(=O)OC)c1,CHEMBL1929447,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)nc2)c(C(=O)OC)c1,CHEMBL1929444,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)c(C(=O)OC)c1,CHEMBL1929451,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc3c(c2)OCO3)c(C(=O)OC)c1,CHEMBL1929449,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)c(C(=O)OC)c1,CHEMBL1929437,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(F)c2)c(C(=O)OC)c1,CHEMBL1929440,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(=O)OC)c1,CHEMBL1929439,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC(F)F)c2)c(C(=O)OC)c1,CHEMBL1929452,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC)c2)c(C(=O)OC)c1,CHEMBL1929450,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC3CCC3)c2)c(C(=O)OC)c1,CHEMBL1929453,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)c(C(=O)OC)c1,CHEMBL1929434,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)c(C(=O)OC)c1,CHEMBL1929436,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccnc2)c(C(=O)OC)c1,CHEMBL1929442,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1,CHEMBL1929433,1 +CC/C(O)=C(\C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1,CHEMBL1929432,1 +CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1,CHEMBL2178110,1 +CCC(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5439442,1 +CCC(=O)Nc1ccc(N(C)Cc2cccnc2)cc1C(=O)O,CHEMBL1084927,1 +CCC(C)N(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)cs1,CHEMBL3928205,1 +CCC(C)Nc1nccc(-c2cnc3sc(C)cn3c2=O)n1,CHEMBL5199042,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cc(F)cc(F)c1,CHEMBL5173982,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cc2ccccc2o1,CHEMBL5200075,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(Cl)cc1,CHEMBL5174482,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(F)c(F)c1,CHEMBL5181287,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(F)cc1,CHEMBL5208193,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc(OC)cc1,CHEMBL5177668,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc2c(c1)OCO2,CHEMBL5179920,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccc2ccccc2c1,CHEMBL5206463,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(C(F)(F)F)c1,CHEMBL5193565,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(Cl)c1,CHEMBL5174428,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(Cl)c1C,CHEMBL5201005,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(F)c1,CHEMBL5182196,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(F)c1C,CHEMBL5175230,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC(F)(F)F)c1,CHEMBL5203955,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1,CHEMBL5209435,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc2ccccc12,CHEMBL5182494,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1,CHEMBL5171811,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1C,CHEMBL5186097,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1Cl,CHEMBL5177094,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccccc1F,CHEMBL5198288,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1ccnc(F)c1,CHEMBL5191795,1 +CCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1C(=O)c1ccccc1,CHEMBL5401192,1 +CCC(C)Oc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12,CHEMBL5178813,1 +CCC(C)c1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2C)cc1,CHEMBL3818031,1 +CCC(CC)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5404114,1 +CCC(CC)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1,CHEMBL5194645,1 +CCC(CC)Oc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12,CHEMBL5190641,1 +CCC(CCO)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5426062,1 +CCCC(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5399532,1 +CCCC(C)N(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)c(C)s1,CHEMBL3893343,1 +CCCC(C)N(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)cs1,CHEMBL3927131,1 +CCCC(C)Oc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1,CHEMBL5198888,1 +CCCC(C)Oc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12,CHEMBL5193995,1 +CCCCCCNC(=O)COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OC,CHEMBL4852681,1 +CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1,CHEMBL36981,1 +CCCCOc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1,CHEMBL3817894,1 +CCCCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,CHEMBL5394449,1 +CCCCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1,CHEMBL3818502,1 +CCCCc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C)cc2)nc1,CHEMBL5171775,1 +CCCN(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)cs1,CHEMBL3909259,1 +CCCNC(=O)C1=C(Nc2ccc(C)c(C)c2)SCC1=O,CHEMBL2431484,1 +CCCOC(=O)C1=C(Nc2ccc(C)c(C)c2)SCC1=O,CHEMBL2431523,1 +CCCOc1cc(NC(=O)/C(C#N)=C(/C)O)c(F)cc1-c1cccc(OC)c1,CHEMBL5197464,1 +CCCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1,CHEMBL2385715,1 +CCCOc1cccc(-c2c(F)c(F)c(NC(=O)c3c(O)nn4ccccc34)c(F)c2F)c1,CHEMBL5090281,1 +CCN(/N=C/c1ccccc1C(=O)O)c1nc(-c2ccccc2Cl)cs1,CHEMBL3910373,1 +CCN(C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F)C1CC1,CHEMBL5407738,1 +CCN(C)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5409267,1 +CCN(CC(F)F)C(=O)Nc1nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5428012,1 +CCN(CC)C(=O)N(C)c1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5439460,1 +CCN(CC)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2Cl)cc1F,CHEMBL5419877,1 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+Nc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O,CHEMBL218249,1 +Nc1ccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)cc1,CHEMBL4635090,1 +Nc1cccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)c1,CHEMBL4641822,1 +Nc1ccccc1-c1ccc(-n2nnc3c2C(=O)c2ccccc2C3=O)cc1,CHEMBL4640238,1 +O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1,CHEMBL43185,1 +O=C(/C=C/c1ccc(O)c(C(=O)O)c1)c1ccc(Cl)cc1,CHEMBL2178112,1 +O=C(C1CCCC1)N1CCN(Cc2cccc(Nc3nc4ccccc4s3)c2Cl)CC1,CHEMBL5075241,1 +O=C(CCNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,CHEMBL3184096,1 +O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21,CHEMBL3188954,1 +O=C(CCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21,CHEMBL3186954,1 +O=C(CCNC(=O)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21,CHEMBL3185911,1 +O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,CHEMBL3184132,1 +O=C(CCNC(=O)c1ccc2c(c1)OC(F)(F)O2)N[C@@H]1CCCc2ccccc21,CHEMBL3188811,1 +O=C(CCNC(=O)c1cccc(Cl)c1)N[C@@H]1CCCc2ccccc21,CHEMBL3186409,1 +O=C(CCNC(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21,CHEMBL3907085,1 +O=C(NC1CC1)c1ccc(-n2cnc3c(Cl)cc(F)cc32)s1,CHEMBL2012963,1 +O=C(NC1CC1)c1ccc(N2CCSc3ccccc32)s1,CHEMBL3694254,1 +O=C(NC1CCCc2c1cnn2-c1ccccc1)c1noc2c1CCCC2,CHEMBL4633419,1 +O=C(NC1CCCc2c1cnn2-c1ccccc1)c1onc2c1CCCC2,CHEMBL4649494,1 +O=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccccc1,CHEMBL4648021,1 +O=C(NC1CCCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2,CHEMBL4643928,1 +O=C(NCc1ccccc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1,CHEMBL143628,1 +O=C(NCc1cccnc1)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n(-c2ccc(Cl)cc2)n1,CHEMBL142444,1 +O=C(NCc1cccnc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1,CHEMBL341925,1 +O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccn1,CHEMBL551051,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Br)ccn1,CHEMBL4643648,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(C(F)(F)F)ccn1,CHEMBL4642109,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Cl)ccn1,CHEMBL4646131,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(F)ccn1,CHEMBL4649747,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccn1,CHEMBL4634816,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ncc2ccccn12,CHEMBL4640411,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ncccn1,CHEMBL4639767,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ncn2c1CCCC2,CHEMBL4637894,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1noc2c1CCCC2,CHEMBL4644015,1 +O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2,CHEMBL4649285,1 +O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccn1,CHEMBL4649675,1 +O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1noc2c1CCCC2,CHEMBL4644245,1 +O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1onc2c1CCCC2,CHEMBL4639419,1 +O=C(Nc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5079952,1 +O=C(Nc1c(F)c(F)c(-c2ccc(F)cc2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5071607,1 +O=C(Nc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5078949,1 +O=C(Nc1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5092556,1 +O=C(Nc1c(F)c(F)c(-c2cccc(O)c2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5088148,1 +O=C(Nc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5090431,1 +O=C(Nc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F)c1ccsc1C(=O)O,CHEMBL4580266,1 +O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nn2c(Cl)cccc12,CHEMBL5075870,1 +O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nn2c1CCCC2,CHEMBL5087682,1 +O=C(Nc1c(F)c(F)c(-c2ccccc2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL4173846,1 +O=C(Nc1c(F)c(F)c(-c2cccnc2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5079607,1 +O=C(Nc1c(F)c(F)c(-c2cccs2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5086254,1 +O=C(Nc1c(F)c(F)c(-c2ccnc(C(F)(F)F)c2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5080170,1 +O=C(Nc1c(F)c(F)c(N2CCOCC2)c(F)c1F)c1c(O)nn2ccccc12,CHEMBL5090397,1 +O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)O,CHEMBL202431,1 +O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O,CHEMBL1088742,1 +O=C(Nc1ccc(-c2ccccc2)cc1)c1ccsc1C(=O)O,CHEMBL381043,1 +O=C(Nc1ccc(Oc2ccccc2)cc1)c1c(O)nn2ccccc12,CHEMBL4175712,1 +O=C(Nc1ccc2c(c1)nnn2-c1ccccc1)c1c(O)nn2ccccc12,CHEMBL5188838,1 +O=C(Nc1ccc2c(ccn2-c2ccccc2)c1)c1c(O)nn2ccccc12,CHEMBL5172821,1 +O=C(Nc1cccc2ccc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)cc12)c1ccccc1,CHEMBL3942246,1 +O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1,CHEMBL370865,1 +O=C(Nc1ccccc1C(=O)O)c1ccc2cc(Br)ccc2c1,CHEMBL199574,1 +O=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2c1,CHEMBL200536,1 +O=C(Nc1nc2ccccc2s1)c1ccc(Cl)cc1Cl,CHEMBL2178109,1 +O=C(Nc1nc2ccccc2s1)c1cccc(C(Cl)(Cl)Cl)c1,CHEMBL2178105,1 +O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CCC1,CHEMBL154623,1 +O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)COC1,CHEMBL194954,1 +O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CSC1,CHEMBL194955,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CCC1,CHEMBL157105,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)COC1,CHEMBL195163,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CSC1,CHEMBL194075,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc4c3OCO4)cc2F)CCC1,CHEMBL5415127,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc4ocnc34)cc2F)CCC1,CHEMBL5432354,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3ccccc3Cl)cc2F)CCC1,CHEMBL345147,1 +O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3ccccc3F)cc2F)CCC1,CHEMBL154513,1 +O=C(O)C1=C(C(=O)Nc2cc(Br)c(OCc3c(F)cccc3Cl)c(Br)c2)CCC1,CHEMBL196181,1 +O=C(O)C1=C(C(=O)Nc2cc(Br)c(OCc3c(F)cccc3Cl)c(Br)c2)CSC1,CHEMBL194776,1 +O=C(O)C1=C(C(=O)Nc2cc(Br)c(OCc3ccccc3)c(Br)c2)CCC1,CHEMBL197553,1 +O=C(O)C1=C(C(=O)Nc2cc(Br)c(OCc3ccccc3)c(Br)c2)CSC1,CHEMBL195246,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Br)cc3)c(Cl)c2)CCC1,CHEMBL348871,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Br)cc3)cc2Cl)CCC1,CHEMBL154908,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Br)cc3)cc2F)CCC1,CHEMBL345446,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2F)CCC1,CHEMBL154214,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(O)c3)cc2F)CCC1,CHEMBL345685,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)c(Cl)c2)CCC1,CHEMBL345464,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2C(F)(F)F)CCC1,CHEMBL157004,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2Cl)CCC1,CHEMBL155548,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2F)CCC1,CHEMBL154493,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[N+](=O)[O-])CCC1,CHEMBL155530,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc4ccccc34)cc2C(F)(F)F)CCC1,CHEMBL349577,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccccc3)cc2)CCC1,CHEMBL348270,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccccc3)cc2)CS(=O)(=O)C1,CHEMBL196173,1 +O=C(O)C1=C(C(=O)Nc2ccc(-c3ccccc3)cc2)CSC1,CHEMBL372101,1 +O=C(O)C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)CCC1,CHEMBL193365,1 +O=C(O)C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)COC1,CHEMBL193371,1 +O=C(O)C1=C(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC1,CHEMBL370008,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCCCc1ccc2c(C(=O)O)cccc2c1,CHEMBL3981004,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,CHEMBL3926030,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc2ccccc2c2ccccc12,CHEMBL3966747,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(-c2ccccc2)cc1,CHEMBL3974614,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(C(F)(F)F)cc1,CHEMBL3897952,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(OC(F)(F)F)cc1,CHEMBL3986776,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2ccccc2c1,CHEMBL3984245,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc(C(F)(F)F)c1,CHEMBL3899009,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc(Cl)c1,CHEMBL3910083,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc2ccccc12,CHEMBL3955618,1 +O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cnc2ccccc2c1,CHEMBL3908781,1 +O=C(O)c1c(O)c(-c2ccc(-c3ccc(O)cc3)cc2)nc2ccc(F)cc12,CHEMBL386159,1 +O=C(O)c1c(O)c(-c2ccc(-c3ccc(O)cc3)cc2)nc2ccccc12,CHEMBL218062,1 +O=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12,CHEMBL41719,1 +O=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccccc12,CHEMBL219648,1 +O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(Br)cc12,CHEMBL218700,1 +O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(C(F)(F)F)cc12,CHEMBL386700,1 +O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(OC(F)(F)F)cc12,CHEMBL218052,1 +O=C(O)c1c(O)c(-c2ccc(O)cc2)nc2ccc(F)cc12,CHEMBL219489,1 +O=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12,CHEMBL218084,1 +O=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12,CHEMBL218169,1 +O=C(O)c1c(O)c(-c2ccc(Sc3ccccc3)cc2)nc2ccc(F)cc12,CHEMBL218085,1 +O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12,CHEMBL219376,1 +O=C(O)c1c2c(nc3ccc(C(F)(F)F)cc13)-c1ccc(-c3ccccc3)cc1CC2,CHEMBL105175,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccc(C(F)(F)F)cc3)cc1CC2,CHEMBL107362,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3cccc(C(F)(F)F)c3)cc1CC2,CHEMBL104824,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2,CHEMBL104209,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CS2,CHEMBL320245,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1OC2,CHEMBL107642,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1S(=O)(=O)C2,CHEMBL108327,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1SC2,CHEMBL104302,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1[S+]([O-])C2,CHEMBL324668,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)nc1CC2,CHEMBL104001,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3C(F)(F)F)cc1CC2,CHEMBL322274,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3F)cc1CC2,CHEMBL320204,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccoc3)cc1CC2,CHEMBL326692,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccsc3)cc1CC2,CHEMBL107224,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1cccc(-c3ccccc3)c1CC2,CHEMBL106930,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1cccc(Oc3ccccc3)c1CC2,CHEMBL322929,1 +O=C(O)c1c2c(nc3ccc(F)cc13)-c1cnc(-c3ccccc3)nc1CC2,CHEMBL322100,1 +O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12,CHEMBL39162,1 +O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12,CHEMBL3600460,1 +O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2sccc12,CHEMBL38669,1 +O=C(O)c1cc(-c2ccc(-c3ccccn3)cc2)nc2ccccc12,CHEMBL4225626,1 +O=C(O)c1cc(-c2ccc(-c3cccnc3)cc2)nc2ccccc12,CHEMBL4226167,1 +O=C(O)c1cc(-c2ccc(-c3cccnc3C(F)(F)F)cc2)nc2ccccc12,CHEMBL4227002,1 +O=C(O)c1cc(-c2ccc(-c3cccnc3Cl)cc2)nc2ccccc12,CHEMBL4224965,1 +O=C(O)c1cc(-c2ccc(-c3cccnc3F)cc2)nc2ccccc12,CHEMBL4225552,1 +O=C(O)c1cc(-c2ccc(-c3cccnn3)cc2)nc2ccccc12,CHEMBL4227258,1 +O=C(O)c1cc(-c2ccc(-c3ccncc3)cc2)nc2ccccc12,CHEMBL4226212,1 +O=C(O)c1cc(-c2ccc(-c3cnccc3C(F)(F)F)cc2)nc2ccccc12,CHEMBL4227592,1 +O=C(O)c1cc(-c2ccc(-n3ccnc3)cc2)nc2ccccc12,CHEMBL4225229,1 +O=C(O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12,CHEMBL4226040,1 +O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Br)cc12,CHEMBL3818640,1 +O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccc(Br)cc12,CHEMBL3819188,1 +O=C(O)c1cc(-c2ccc(F)cc2)nc2ccc(Cl)cc12,CHEMBL2385720,1 +O=C(O)c1cc(-c2ccc(N3CCCCC3)cc2)nc2ccccc12,CHEMBL4226260,1 +O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(Cl)cc12,CHEMBL2385719,1 +O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc12,CHEMBL2385514,1 +O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12,CHEMBL2385515,1 +O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,CHEMBL1571058,1 +O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12,CHEMBL3677728,1 +O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1,CHEMBL3674663,1 +O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2F)nc1,CHEMBL3674675,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2c(F)cc(O)cc2F)nc1,CHEMBL3674627,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2cc(C(F)(F)F)ccc2F)nc1,CHEMBL3674674,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2cc(F)ccc2F)nc1,CHEMBL3674673,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2cccc(OC3CC3)c2)nc1,CHEMBL3674634,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(-c2ccccc2)c1,CHEMBL3674633,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(C(F)(F)F)c1,CHEMBL3674660,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)nc1,CHEMBL3674625,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C(F)(F)F)nc1,CHEMBL3674671,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C2CC2)nc1,CHEMBL3674630,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2Cl)nc1,CHEMBL3674666,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2F)nc1,CHEMBL3674670,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cnc(C2CC2)c(-c2ccccc2)c1,CHEMBL3674635,1 +O=C(O)c1cc(C2CC2)ccc1Nc1cncc(-c2ccccc2)c1,CHEMBL3674631,1 +O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F,CHEMBL2263646,1 +O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F,CHEMBL2263645,1 +O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F,CHEMBL2263447,1 +O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1,CHEMBL5182587,1 +O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12,CHEMBL3677749,1 +O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12,CHEMBL3677750,1 +O=C(O)c1cc(Cl)cc2c1N=C(c1ccc(-c3ccccc3)cc1)C2,CHEMBL3677753,1 +O=C(O)c1cc(Cl)cc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c12,CHEMBL3677747,1 +O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1,CHEMBL3674662,1 +O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F,CHEMBL2259675,1 +O=C(O)c1cc(F)cc2[nH]c(-c3c(F)cc(-c4ccccc4)cc3F)nc12,CHEMBL3677763,1 +O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12,CHEMBL3677744,1 +O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12,CHEMBL3677758,1 +O=C(O)c1ccc2cc(CCCCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1,CHEMBL3983745,1 +O=C(O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1,CHEMBL3890631,1 +O=C(O)c1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2noc3c2CCCC3)c1,CHEMBL4633148,1 +O=C(O)c1cccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)c1,CHEMBL3907470,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)nc12,CHEMBL3677814,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)c(F)c4)c(F)c3F)nc12,CHEMBL3677815,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)nc12,CHEMBL3677818,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(OCc5ccccc5)cc4)c(F)c3F)nc12,CHEMBL3677817,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(F)c4F)c(F)c3F)nc12,CHEMBL3677813,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(OC(F)(F)F)c4)c(F)c3F)nc12,CHEMBL3677832,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)nc12,CHEMBL3677738,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)nc12,CHEMBL3677816,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccnc4)c(F)c3F)nc12,CHEMBL3677821,1 +O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccsc4)c(F)c3F)nc12,CHEMBL3677828,1 +O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4)cc3)nc12,CHEMBL3677734,1 +O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3)nc12,CHEMBL3677735,1 +O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12,CHEMBL3677803,1 +O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12,CHEMBL3593998,1 +O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12,CHEMBL3677733,1 +O=C(O)c1cccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc12,CHEMBL3677726,1 +O=C(O)c1cccc2[nH]c(-c3ccc(Oc4c(F)cccc4F)cc3)nc12,CHEMBL3677757,1 +O=C(O)c1cccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc12,CHEMBL3677731,1 +O=C(O)c1cccc2[nH]c(-c3cccc(Oc4ccccc4)c3)nc12,CHEMBL3677730,1 +O=C(O)c1cccc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c12,CHEMBL3677760,1 +O=C(O)c1cccc2nc(-c3c(F)c(F)c(-c4cccc(F)c4)c(F)c3F)[nH]c12,CHEMBL3677810,1 +O=C(O)c1cccc2nc(-c3c(F)c(F)c(-c4cccc(OCc5ccccc5)c4)c(F)c3F)[nH]c12,CHEMBL3677792,1 +O=C(O)c1cccc2nc(-c3c(F)c(F)c(-c4ccccc4OCc4ccccc4)c(F)c3F)[nH]c12,CHEMBL3677786,1 +O=C(O)c1cccc2nc(-c3c(F)c(F)c(-c4cccs4)c(F)c3F)[nH]c12,CHEMBL3677809,1 +O=C(O)c1cccc2nc(-c3ccc(-c4c(F)cccc4F)cc3)[nH]c12,CHEMBL3677761,1 +O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12,CHEMBL3677736,1 +O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3F)[nH]c12,CHEMBL3677742,1 +O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c12,CHEMBL3677739,1 +O=C(O)c1ccccc1/C=N/N(CCO)c1nc(-c2ccccc2Cl)cs1,CHEMBL3900235,1 +O=C(O)c1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1,CHEMBL3949527,1 +O=C(O)c1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)cs1,CHEMBL3896992,1 +O=C(O)c1ccccc1CCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O,CHEMBL3910672,1 +O=C(O)c1ccccc1N/N=C/c1ccc(-c2ccccc2Cl)o1,CHEMBL1088743,1 +O=C(O)c1ccccc1Nc1ccc(Cl)cc1,CHEMBL2043303,1 +O=C(O)c1cccn2cc(-c3ccc(-c4ccccc4)cc3)nc12,CHEMBL3677823,1 +O=C(O)c1cccn2nc(-c3ccc(-c4ccccc4)cc3)nc12,CHEMBL3677807,1 +O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F,CHEMBL2263643,1 +O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(OC3CCC3)c2)cc1F,CHEMBL2263630,1 +O=C(O)c1cccnc1Nc1ccc(Cl)cc1,CHEMBL1237007,1 +O=C(O)c1cccnc1Nc1ccc(F)cc1,CHEMBL3916793,1 +O=C(O)c1ccncc1Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1F,CHEMBL2263635,1 +O=C(O)c1cscc1C(=O)Nc1c(F)cc(-c2ccccc2OC(F)(F)F)cc1F,CHEMBL199347,1 +O=C(O)c1cscc1C(=O)Nc1ccc(-c2ccccc2)cc1,CHEMBL199501,1 +O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(Cl)cc12,CHEMBL4437585,1 +O=C(c1ccccc1)c1cc(F)c(Nc2ncccc2C(=O)O)c(F)c1,CHEMBL5412179,1 +O=C(c1ccccc1)c1ccc(Nc2ncccc2C(=O)O)c(Cl)c1,CHEMBL5423324,1 +O=C(c1ccccc1)c1ccc(Nc2ncccc2C(=O)O)c(F)c1,CHEMBL5427310,1 +O=C(c1ccccc1)c1ccc(Nc2ncccc2C(=O)O)cc1,CHEMBL5419515,1 +O=C1C(O)=C(CC=C(Cl)Cl)C(=O)c2ccccc21,CHEMBL1990817,1 +O=C1C(O)=C(N2CCN(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,CHEMBL4474026,1 +O=C1C(O)=C(N2CCN(c3cccc(Cl)c3Cl)CC2)C(=O)c2ccccc21,CHEMBL4586212,1 +O=C1C(O)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21,CHEMBL2041119,1 +O=C1C(O)=C(Nc2ccc(F)cc2)C(=O)c2ccccc21,CHEMBL4566973,1 +O=C1C(O)=C(Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc21,CHEMBL4546952,1 +O=C1C(O)=C(Nc2ccc3c(c2)OCO3)C(=O)c2ccccc21,CHEMBL4524841,1 +O=C1C(O)=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21,CHEMBL4472078,1 +O=C1C(O)=C(Nc2cccc(Cl)c2)C(=O)c2ccccc21,CHEMBL4457147,1 +O=C1C(O)=C(Nc2cccc(Cl)c2Cl)C(=O)c2ccccc21,CHEMBL4540838,1 +O=C1C(O)=C(Nc2ccccc2)C(=O)c2ccccc21,CHEMBL2408377,1 +O=C1C(O)=C(Nc2ccccc2Cl)C(=O)c2ccccc21,CHEMBL4452960,1 +O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,CHEMBL1450,1 +O=C1CCCc2n[nH]c(Nc3ccc(C(F)(F)F)cc3)c21,CHEMBL418870,1 +O=C1c2cc(F)ccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1,CHEMBL4638560,1 +O=C1c2ccc(F)cc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1,CHEMBL4643209,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2cc(CO)ccc2F)c(F)c1,CHEMBL4635115,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccc(F)cc2)c(F)c1,CHEMBL4632909,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2cccc(CO)c2)c(F)c1,CHEMBL4637493,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2cccc(F)c2)c(F)c1,CHEMBL4645385,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1,CHEMBL4646288,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2cccc(F)c2)cc1,CHEMBL4645170,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2cccc(O)c2)cc1,CHEMBL4641558,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccccc2)cc1,CHEMBL4640115,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccccc2F)cc1,CHEMBL4638432,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccccc2O)cc1,CHEMBL4648838,1 +O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2cccnc2)cc1,CHEMBL4642049,1 +O=Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1,CHEMBL2178104,1 +O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12,CHEMBL222556,1 +OC1c2ccccc2C(O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1,CHEMBL4639751,1 +Oc1ccc(/C=N/c2cccc3ccccc23)c(O)c1,CHEMBL2178107,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NC#N)CCC3)c(F)c2)c1,CHEMBL5437165,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NO)CCC3)c(F)c2)c1,CHEMBL5409772,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NOC)CCC3)c(F)c2)c1,CHEMBL5439713,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NS(C)(=O)=O)CCC3)c(F)c2)c1,CHEMBL5429444,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CC(F)(F)C3)c(F)c2)c1,CHEMBL5408943,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,CHEMBL5417026,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)COC3)c(F)c2)c1,CHEMBL5402885,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CSC3)c(F)c2)c1,CHEMBL5396308,1 +[2H]C([2H])([2H])Oc1cccc(-c2cc(F)c(NC(=O)C3=C(C(N)=O)CCC3)c(F)c2)c1,CHEMBL5426306,1 +[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,CHEMBL5405308,1 +[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c3c2CCC3)c1,CHEMBL5406415,1 +[2H]C([2H])([2H])Oc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1,CHEMBL5395588,1 +[2H]C([2H])([2H])Oc1cccc(-c2cnc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,CHEMBL5420122,1 +[2H]C([2H])([2H])Oc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1,CHEMBL5398990,1 +[2H]C([2H])([2H])Oc1nc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cs1,CHEMBL5433526,1 +[2H]C([2H])([2H])c1ccccc1NC(=O)c1cc(F)c(-c2cn(C)c(C(C)(C)O)n2)cc1O[C@@H](C)C(F)(F)F,CHEMBL5073905,1 +[2H]C([2H])([2H])n1cc(-c2cc3c(C(C)C)cn(-c4ccccc4C)c(=O)c3cc2F)nc1C(C)(C)O,CHEMBL5434365,1 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+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL1990254,1 +NCC(O)C(O)Cn1cc(I)c2c(N)ncnc21,CHEMBL1975534,1 +NCC1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1,CHEMBL591285,1 +NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1,CHEMBL1998121,1 +NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL1966279,1 +NCCCNc1nc(-c2ccc3[nH]ncc3c2)nc2ccccc12,CHEMBL3338843,1 +NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,CHEMBL2002479,1 +NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O,CHEMBL1975490,1 +NCCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1972258,1 +NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,CHEMBL592030,1 +NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(CC(N)=O)cc23)cc1,CHEMBL519965,1 +NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1,CHEMBL473080,1 +NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,CHEMBL2000481,1 +NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1972290,1 +NCCNc1nc(-c2ccc3[nH]ncc3c2)nc2ccccc12,CHEMBL3338842,1 +NCCNc1nc(-c2ccncc2)cc2cnccc12,CHEMBL1214929,1 +NCCOc1cccc(Nc2ccnc(N)n2)c1,CHEMBL1995448,1 +NCCOc1cncc(C=Cc2ccncc2)c1,CHEMBL1989518,1 +NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,CHEMBL590109,1 +NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1,CHEMBL4753043,1 +NC[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,CHEMBL5278787,1 +NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OCCO)c1)c1ccccc1,CHEMBL4111527,1 +NC[C@@H]1CC[C@H](Oc2ccc3c(=O)[nH]ccc3c2)C1,CHEMBL1667979,1 +NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,CHEMBL3544960,1 +NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,CHEMBL523586,1 +NC[C@H]1CC[C@@H](Oc2ccc3c(=O)[nH]ccc3c2)C1,CHEMBL1667980,1 +NCc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1,CHEMBL484967,1 +NCc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]2)cc1,CHEMBL2333884,1 +NCc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)cc1,CHEMBL4472964,1 +NCc1ccc2c(N)nccc2c1,CHEMBL1643355,1 +NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1,CHEMBL519693,1 +NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,CHEMBL1988163,1 +N[C@@H](C(=O)Nc1ccc2c(c1)OCc1cnccc1-2)c1ccccc1,CHEMBL4748727,1 +N[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)Cc1ccccc1,CHEMBL4743809,1 +N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1,CHEMBL2333905,1 +N[C@H](Cc1ccc(F)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1,CHEMBL2333906,1 +N[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(-c2ccncc2)cc1,CHEMBL5283002,1 +N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCc1cnccc1-2,CHEMBL4746531,1 +N[C@H]1CCC[C@H](Oc2ccc3c(=O)[nH]ccc3c2)C1,CHEMBL1667977,1 +N[C@H]1CC[C@H](Oc2ccc3c(=O)[nH]ccc3c2)C1,CHEMBL1667976,1 +Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,CHEMBL1987448,1 +Nc1cc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc3s2)ccn1,CHEMBL4639553,1 +Nc1cc(-c2cc3c(=O)n(Cc4cccc(F)c4)cnc3s2)ccn1,CHEMBL4649693,1 +Nc1cc(-c2cn[nH]c2)ccc1C(=O)NCCCc1ccccc1,CHEMBL3950431,1 +Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,CHEMBL1994361,1 +Nc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)cc1,CHEMBL4475912,1 +Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,CHEMBL1080071,1 +Nc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)c1,CHEMBL4440876,1 +Nc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1,CHEMBL3581127,1 +Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1,CHEMBL3218009,1 +Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12,CHEMBL1682346,1 +Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,CHEMBL1986499,1 +Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,CHEMBL1972158,1 +Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,CHEMBL1975128,1 +Nc1n[nH]c2cccc(-c3ccc(Br)cc3)c12,CHEMBL1990346,1 +Nc1n[nH]c2cccc(-c3ccc(F)cc3)c12,CHEMBL1971519,1 +Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,CHEMBL1993722,1 +Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,CHEMBL1985311,1 +Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL219722,1 +Nc1nc(-c2ccc3c(N)[nH]nc3c2)cc(N2CCO[C@H](C(=O)Nc3ccccc3)C2)n1,CHEMBL1614774,1 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1,CHEMBL1765733,1 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1,CHEMBL1765732,1 +Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,CHEMBL2007574,1 +Nc1nc(NC2CCCC2)cc(-c2ccc3c(N)n[nH]c3c2)n1,CHEMBL1765762,1 +Nc1nc(Nc2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)cc(-c2ccncc2)n1,CHEMBL5269267,1 +Nc1nc(Nc2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)cc(N2C[C@@H]3CCCN[C@@H]3C2)n1,CHEMBL5285335,1 +Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,CHEMBL191003,1 +Nc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1,CHEMBL1765876,1 +Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1970083,1 +Nc1ncc(-c2ccncc2)nc1N1CCN(CCO)CC1,CHEMBL589655,1 +Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1966514,1 +Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12,CHEMBL1965570,1 +Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,CHEMBL1972220,1 +Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1980297,1 +Nc1nccc(-c2ccc3c(N)n[nH]c3c2)n1,CHEMBL1688215,1 +Nc1nccc2c(S(=O)(=O)N3CCCNCC3)cccc12,CHEMBL1667963,1 +Nc1nccc2cc(CNCCNc3ccccc3)ccc12,CHEMBL1643362,1 +Nc1nccc2cc(CNCCOc3ccccc3)ccc12,CHEMBL1643357,1 +Nc1nccc2cc(CNCCc3ccc(Cl)c(Cl)c3)ccc12,CHEMBL1643358,1 +Nc1nccc2cc(CNCCc3ccccc3)ccc12,CHEMBL1643361,1 +Nc1nccc2cc(CNCCc3ccncc3)ccc12,CHEMBL1643364,1 +Nc1nccc2cc(CNCc3ccc4ccccc4c3)ccc12,CHEMBL1643366,1 +Nc1nccc2cc(CNCc3cccc(Oc4ccccc4)c3)ccc12,CHEMBL1643365,1 +Nc1nccc2cc(CNCc3ccccc3)ccc12,CHEMBL1643367,1 +Nc1nccc2cc(OC3CCN(Cc4ccccc4)CC3)ccc12,CHEMBL1643575,1 +Nc1nccc2cc(OC3CCNCC3)ccc12,CHEMBL1643572,1 +Nc1nccc2cc(O[C@@H]3CCCN(Cc4ccccc4)C3)ccc12,CHEMBL1643573,1 +Nc1nccc2cc(O[C@@H]3CCCNC3)ccc12,CHEMBL1643571,1 +Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12,CHEMBL1643574,1 +Nc1nccc2cc(O[C@H]3CCCNC3)ccc12,CHEMBL1643368,1 +Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12,CHEMBL1976220,1 +Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12,CHEMBL394790,1 +Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL231209,1 +Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,CHEMBL1987910,1 +Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12,CHEMBL1991138,1 +Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,CHEMBL2001239,1 +Nc1ncnc2c1C(=O)Nc1ccccc1N2,CHEMBL1980671,1 +Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,CHEMBL411903,1 +Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,CHEMBL260092,1 +Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1,CHEMBL1988370,1 +Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC(N2CCCC2)CC1,CHEMBL1965910,1 +Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,CHEMBL1081312,1 +Nc1ncnc2c1sc1ncnc(N)c12,CHEMBL1976090,1 +Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL213505,1 +Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,CHEMBL1994693,1 +Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL1998585,1 +Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1967531,1 +Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,CHEMBL1990583,1 +Nc1noc2cccc(-c3cccc(O)c3)c12,CHEMBL1970340,1 +Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1,CHEMBL1079032,1 +Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,CHEMBL1078426,1 +Nc1nonc1-c1nc2ccccc2n1C1CC1,CHEMBL1079293,1 +Nc1nonc1-c1nc2ccccc2n1C1CCC1,CHEMBL1079294,1 +Nc1nonc1-c1nc2ccccc2n1C1CCCC1,CHEMBL1079295,1 +Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,CHEMBL1078929,1 +Nc1nonc1-c1nc2ccccc2n1CC1CC1,CHEMBL1078930,1 +Nc1nonc1-c1nc2ccccc2n1CC1CCC1,CHEMBL1078820,1 +Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,CHEMBL2004692,1 +Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,CHEMBL1975256,1 +O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,CHEMBL1967719,1 +O=C(CCCC1CCSS1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1,CHEMBL5278924,1 +O=C(CNCc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl,CHEMBL1084900,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1,CHEMBL4451407,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1,CHEMBL4529033,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccc(F)cc2)c1,CHEMBL4586827,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1,CHEMBL4555946,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1,CHEMBL4467403,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1,CHEMBL4437283,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccccc2)c1,CHEMBL4586795,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2cnc(C(F)(F)F)s2)c1,CHEMBL4445974,1 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1,CHEMBL4474804,1 +O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1,CHEMBL4089840,1 +O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCCc2ccccc21,CHEMBL3929004,1 +O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21,CHEMBL5268152,1 +O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)NC1CCC1,CHEMBL3944615,1 +O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)Nc1nc2ccccc2o1,CHEMBL3968518,1 +O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581119,1 +O=C(Cc1ccc(O)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581124,1 +O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4248883,1 +O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccncc2)cs1,CHEMBL3581125,1 +O=C(Cc1ccc2c(c1Cl)OCO2)Nc1nc(-c2ccncc2)cs1,CHEMBL3581126,1 +O=C(Cc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581118,1 +O=C(Cc1cccc(O)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4245089,1 +O=C(Cc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581123,1 +O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncc(F)cc23)cs1,CHEMBL4777515,1 +O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1,CHEMBL4778806,1 +O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4245242,1 +O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4251324,1 +O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4249314,1 +O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4242191,1 +O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4245507,1 +O=C(Cc1cccc(OCCCN2CCOCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4241299,1 +O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4242549,1 +O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4238696,1 +O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4240949,1 +O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL4248852,1 +O=C(Cc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl,CHEMBL1084890,1 +O=C(Cc1ccccc1)Nc1ccc2c(c1)OCc1cnccc1-2,CHEMBL4762662,1 +O=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3ncccc23)cs1,CHEMBL4240883,1 +O=C(Cc1ccccc1)Nc1nc(-c2ccnc3[nH]ccc23)cs1,CHEMBL4251448,1 +O=C(Cc1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3581116,1 +O=C(Cc1ccccc1Cl)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1,CHEMBL5281033,1 +O=C(Cc1ccccc1F)Nc1nc(-c2ccncc2)cs1,CHEMBL3581117,1 +O=C(Cc1ccccc1O)Nc1nc(-c2ccncc2)cs1,CHEMBL3581122,1 +O=C(Cc1cccs1)Nc1nc2ccccc2s1,CHEMBL1421720,1 +O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1986143,1 +O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,CHEMBL1996931,1 +O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1998545,1 +O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,CHEMBL1969755,1 +O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,CHEMBL2003341,1 +O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1964937,1 +O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1974288,1 +O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1,CHEMBL4569508,1 +O=C(NCC(O)c1ccccc1)Nc1ccc2[nH]ncc2c1,CHEMBL2023151,1 +O=C(NCC1CCCCC1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12,CHEMBL1923175,1 +O=C(NCCCc1ccccc1)Nc1ccc2[nH]ncc2c1,CHEMBL2023155,1 +O=C(NCCc1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1,CHEMBL2023153,1 +O=C(NCCc1ccccc1)Nc1ccc(-c2ccncc2)cc1,CHEMBL2023159,1 +O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1,CHEMBL2023154,1 +O=C(NCCc1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218299,1 +O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,CHEMBL1987535,1 +O=C(NCCc1cccs1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12,CHEMBL1923177,1 +O=C(NCc1cc(Cl)cc(Cl)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3908001,1 +O=C(NCc1cc(F)cc(F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3958434,1 +O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1,CHEMBL1970709,1 +O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1,CHEMBL1981782,1 +O=C(NCc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218025,1 +O=C(NCc1ccc(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1,CHEMBL3935950,1 +O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12,CHEMBL1923172,1 +O=C(NCc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218023,1 +O=C(NCc1ccc(O)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218013,1 +O=C(NCc1cccc(Cl)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218024,1 +O=C(NCc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218021,1 +O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218297,1 +O=C(NCc1cccc(O)c1)c1ccc(-c2ccncc2)cc1,CHEMBL4536833,1 +O=C(NCc1cccc(OC(F)(F)F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3965107,1 +O=C(NCc1cccc(OC(F)(F)F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12,CHEMBL1923171,1 +O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccncc2)cc1,CHEMBL4475535,1 +O=C(NCc1cccc(OC(F)F)c1)Nc1nc(-c2ccncc2)cs1,CHEMBL3932202,1 +O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(-c2ccncc2)cc1,CHEMBL4570150,1 +O=C(NCc1cccc2c1OCCCO2)c1ccc(-c2ccncc2)cc1,CHEMBL4463301,1 +O=C(NCc1cccc2c1OCCO2)c1ccc(-c2ccncc2)cc1,CHEMBL4522042,1 +O=C(NCc1cccc2ccccc12)Nc1nc(-c2ccncc2)cs1,CHEMBL3987124,1 +O=C(NCc1ccccc1)Nc1ccc(-c2ccncc2)cc1,CHEMBL2023156,1 +O=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218005,1 +O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL1977135,1 +O=C(NCc1ccccc1)c1ccc(-c2cn[nH]c2)cc1CCO,CHEMBL3965615,1 +O=C(NCc1ccccc1)c1ccc2c(c1)OCc1cnccc1-2,CHEMBL4748957,1 +O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1,CHEMBL1972142,1 +O=C(NCc1ccccc1Cl)Nc1nc(-c2ccncc2)cs1,CHEMBL3217759,1 +O=C(NCc1ccccc1F)Nc1nc(-c2ccncc2)cs1,CHEMBL3218022,1 +O=C(NCc1ccccc1O)Nc1nc(-c2ccncc2)cs1,CHEMBL3218012,1 +O=C(NCc1ccccn1)Nc1nc(-c2ccncc2)cs1,CHEMBL3944452,1 +O=C(NCc1cccnc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3926492,1 +O=C(NCc1ccco1)Nc1nc(-c2ccncc2)cs1,CHEMBL3963845,1 +O=C(NCc1ccncc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3973907,1 +O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,CHEMBL1983575,1 +O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,CHEMBL1999811,1 +O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1,CHEMBL1992555,1 +O=C(N[C@H](CCN1CCCC1)c1cccc(F)c1)c1ccc(-c2ccnc(F)c2)cc1,CHEMBL4521871,1 +O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(-c2ccncc2)cc1,CHEMBL4459077,1 +O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2cn[nH]c2)c(C(F)(F)F)c1,CHEMBL4107473,1 +O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2cn[nH]c2)c(Cl)c1,CHEMBL4107563,1 +O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1,CHEMBL4114203,1 +O=C(N[C@H](CO)c1ccccc1)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1,CHEMBL4107796,1 +O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F,CHEMBL1991410,1 +O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C(NC1CC1)c1ccccc1,CHEMBL1084106,1 +O=C(Nc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21,CHEMBL3921800,1 +O=C(Nc1ccc(-c2ccc3cn[nH]c3c2)cc1)Nc1cccc(F)c1,CHEMBL1969942,1 +O=C(Nc1ccc(-c2ccncc2)cc1)N[C@@H](CO)Cc1ccccc1,CHEMBL2023160,1 +O=C(Nc1ccc(-c2ccncc2)cc1)N[C@@H](CO)c1ccccc1,CHEMBL2023157,1 +O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1ccccc1,CHEMBL2023158,1 +O=C(Nc1ccc(-c2cn[nH]c2)cc1)N(CCO)Cc1ccccc1,CHEMBL2331562,1 +O=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CCO)c1cccc(F)c1,CHEMBL2332056,1 +O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21,CHEMBL5289256,1 +O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)c1ccc(N2CCCCC2)cc1,CHEMBL3935660,1 +O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)c1ccccc1,CHEMBL3980970,1 +O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)c1csc(-c2ccc(C(F)(F)F)cc2)n1,CHEMBL3957734,1 +O=C(Nc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3962641,1 +O=C(Nc1ccc2[nH]ncc2c1)N[C@H](CO)Cc1ccccc1,CHEMBL2023150,1 +O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)cc1,CHEMBL1973808,1 +O=C(Nc1ccc2[nH]ncc2c1)c1cccc(F)c1,CHEMBL1461728,1 +O=C(Nc1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3218298,1 +O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,CHEMBL1996979,1 +O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,CHEMBL1974416,1 +O=C(Nc1nc(-c2ccncc2)cs1)C1COc2ccccc2O1,CHEMBL510515,1 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(CC2CCCO2)CC1,CHEMBL3902671,1 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCc2ccccc2C1,CHEMBL3915031,1 +O=C(Nc1nc(-c2ccncc2)cs1)NC(CO)c1ccccc1,CHEMBL3218295,1 +O=C(Nc1nc(-c2ccncc2)cs1)NC(c1ccccc1)c1ccccc1,CHEMBL3914256,1 +O=C(Nc1nc(-c2ccncc2)cs1)N[C@@H](CO)c1ccccc1,CHEMBL3218286,1 +O=C(Nc1nc(-c2ccncc2)cs1)N[C@H](CO)c1ccccc1,CHEMBL3218278,1 +O=C(Nc1nc(-c2ccncc2)cs1)N[C@H]1CCCc2ccccc21,CHEMBL3903548,1 +O=C(Nc1nc(-c2ccncc2)cs1)N[C@H]1CCc2ccccc21,CHEMBL3916739,1 +O=C(Nc1nc(-c2ccncc2)cs1)Nc1ccccc1Cl,CHEMBL3978510,1 +O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1F,CHEMBL3581115,1 +O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,CHEMBL1983980,1 +O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,CHEMBL242865,1 +O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1,CHEMBL396523,1 +O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,CHEMBL243088,1 +O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCC(O)C1,CHEMBL1997340,1 +O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1,CHEMBL1908397,1 +O=C(c1cccc(-c2cnc3[nH]ccc3c2)c1)N1CCOCC1,CHEMBL1997872,1 +O=C1C(Nc2cccc(OC(F)(F)F)c2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5287054,1 +O=C1C(Nc2cccc(OC(F)F)c2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5273553,1 +O=C1C(Nc2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5278266,1 +O=C1C(Oc2cccc(OC(F)(F)F)c2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5271236,1 +O=C1CC(c2ccccc2)CN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5274249,1 +O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,CHEMBL2002470,1 +O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,CHEMBL296586,1 +O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,CHEMBL50894,1 +O=C1N(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)CCN1c1cccnc1,CHEMBL5285043,1 +O=C1N(c2ccccc2)CCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5275907,1 +O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,CHEMBL2001920,1 +O=C1NC2(CCCC2)Nc2cc(-c3ccncc3)sc21,CHEMBL4211971,1 +O=C1NC2(CCCCC2)Nc2cc(-c3ccncc3)sc21,CHEMBL4207094,1 +O=C1NC2(CCCCCC2)Nc2cc(-c3ccncc3)sc21,CHEMBL4216947,1 +O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,CHEMBL1997129,1 +O=C1NCCc2[nH]c(-c3ccncc3)cc21,CHEMBL225519,1 +O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccccc3c21,CHEMBL4294912,1 +O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,CHEMBL1979057,1 +O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,CHEMBL2004771,1 +O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23,CHEMBL1969502,1 +O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CHEMBL1973540,1 +O=C1Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CHEMBL1986590,1 +O=C1OC(c2ccccc2)CN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CHEMBL5284542,1 +O=C1c2ccc(-c3ccncc3)cc2OCCN1Cc1cccc(C(F)(F)F)c1,CHEMBL4867403,1 +O=C1c2ccc(-c3ccncc3)cc2OCCN1Cc1cccc(OC(F)(F)F)c1,CHEMBL4865566,1 +O=Cc1cccc(CN2CCOc3cc(-c4ccncc4)ccc3C2=O)c1,CHEMBL4874825,1 +O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,CHEMBL1987756,1 +O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1,CHEMBL1233300,1 +O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,CHEMBL38380,1 +O=c1[nH]c(CN2CCCC2)nc2cc(-c3ccncc3)sc12,CHEMBL4080367,1 +O=c1[nH]c(CN2CCCC2)nc2cc(-c3cn[nH]c3)sc12,CHEMBL4098392,1 +O=c1[nH]c([C@@H]2CCCCN2)nc2cc(-c3c[nH]nc3C(F)(F)F)sc12,CHEMBL4570191,1 +O=c1[nH]c([C@@H]2CNC[C@H]2c2ccc(Cl)cc2)nc2ccc(-c3cn[nH]c3)cc12,CHEMBL2333898,1 +O=c1[nH]c([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc12,CHEMBL2334292,1 +O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,CHEMBL1992796,1 +O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,CHEMBL2000393,1 +O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,CHEMBL1966808,1 +O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,CHEMBL1968151,1 +O=c1[nH]ccc2cc(OC3CCCNCC3)ccc12,CHEMBL1667971,1 +O=c1[nH]ccc2cc(OC3CCNCC3)ccc12,CHEMBL1667969,1 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+Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12,CHEMBL259551,0 +Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12,CHEMBL260135,0 +Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3n2)s1,CHEMBL361237,0 +Nc1nc(-c2ccc3c(N)[nH]nc3c2)cc(N2CCOCC2)n1,CHEMBL1614772,0 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC(NC(=O)c3ccccc3)C2)n1,CHEMBL1765745,0 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC2)n1,CHEMBL1765878,0 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCCC2)n1,CHEMBL1765879,0 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@H](C(=O)NC3CCCC3)C2)n1,CHEMBL1765735,0 +Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCO[C@@H](C(=O)Nc3ccccc3)C2)n1,CHEMBL1765731,0 +Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1,CHEMBL1794053,0 +Nc1nc(-c2cccc(Cl)c2)c(-c2ccc3ncccc3n2)s1,CHEMBL365663,0 +Nc1nc(-c2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1,CHEMBL1765758,0 +Nc1nc(-c2ccccn2)c(-c2ccc3ncccc3n2)s1,CHEMBL181361,0 +Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,CHEMBL230011,0 +Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1c(F)cccc1F,CHEMBL261720,0 +Nc1nc2c(c(=O)[nH]1)CC=N2,CHEMBL219544,0 +Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1,CHEMBL1982874,0 +Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)n(CC3CC3)n2)cc1C(F)(F)F,CHEMBL3715238,0 +Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c2scc(-c3ccc(F)c(Cl)c3)c12,CHEMBL241517,0 +Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O,CHEMBL4859660,0 +Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O,CHEMBL4855542,0 +Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OC1CCCCC1,CHEMBL4785602,0 +Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1,CHEMBL4749141,0 +Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12,CHEMBL1994938,0 +Nc1ncc2cccc(-c3ccccc3)n12,CHEMBL1997119,0 +Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,CHEMBL1888586,0 +Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,CHEMBL1909407,0 +Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1,CHEMBL274863,0 +Nc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1,CHEMBL1909402,0 +Nc1nccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1,CHEMBL381604,0 +Nc1nccc2cnc(-c3ccccc3)n12,CHEMBL1969156,0 +Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,CHEMBL2177818,0 +Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,CHEMBL2177819,0 +Nc1ncccc1OCc1ccccc1,CHEMBL194009,0 +Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12,CHEMBL1240885,0 +Nc1ncnc2c1N=C(c1ccccc1)CCN2,CHEMBL262623,0 +Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1,CHEMBL1976376,0 +Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1,CHEMBL47940,0 +Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](N2CCC2)C1,CHEMBL551064,0 +Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O,CHEMBL2001288,0 +Nc1ncnc2c1ccn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1,CHEMBL4218073,0 +Nc1ncnc2c1cnn2-c1ccccc1,CHEMBL65063,0 +Nc1ncnc2c1ncn2Cc1ccc(F)cc1,CHEMBL426037,0 +Nc1ncnc2ncn(Cc3ccc(F)cc3)c12,CHEMBL180422,0 +Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,CHEMBL588025,0 +Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,CHEMBL273564,0 +Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)c12,CHEMBL1980896,0 +Nc1ncnc2scc(-c3ccccc3)c12,CHEMBL1975212,0 +Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12,CHEMBL1988594,0 +Nc1ncnc2sccc12,CHEMBL1972934,0 +Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,CHEMBL1994830,0 +Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1,CHEMBL1080970,0 +Nc1nonc1-c1nc2cnccc2n1C1CC1,CHEMBL185962,0 +Nc1nonc1-c1nc2cnccc2n1C1CCCCC1,CHEMBL189231,0 +Nc1nonc1-n1cc(CO)nn1,CHEMBL1991251,0 +O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NN=Cc1c[nH]c2ccccc12,CHEMBL1994308,0 +O=C(CCCCCCn1cc(Nc2ncc3ccn(Cc4ccccc4F)c3n2)cn1)NO,CHEMBL5076728,0 +O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1,CHEMBL235658,0 +O=C(CNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2,CHEMBL3824119,0 +O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1,CHEMBL1614705,0 +O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1,CHEMBL4444893,0 +O=C(COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1)Nc1cccnc1,CHEMBL3666716,0 +O=C(Cc1c(F)cccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1,CHEMBL3310142,0 +O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1ccccn1,CHEMBL4084465,0 +O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1cn[nH]c1,CHEMBL4070290,0 +O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1ccccn1,CHEMBL4062790,0 +O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1,CHEMBL571546,0 +O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1,CHEMBL1992581,0 +O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2,CHEMBL2003482,0 +O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12,CHEMBL1996576,0 +O=C(Cc1ccccc1Cl)Nc1ccc2cn[nH]c2c1,CHEMBL1987533,0 +O=C(N1CCN(c2ncnc3[nH]nc(Cl)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,CHEMBL4285143,0 +O=C(N1CCS(=O)(=O)CC1)N1C[C@H](c2ccc(OC(F)(F)F)cc2)C[C@H](c2nc(C3CC3)no2)C1,CHEMBL4630644,0 +O=C(NC(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3892412,0 +O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1,CHEMBL1221601,0 +O=C(NC1(Cc2ccc(F)cc2)CC1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1,CHEMBL2420551,0 +O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1,CHEMBL2420555,0 +O=C(NC1(c2ccccc2)CC1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1,CHEMBL2420572,0 +O=C(NC1(c2ccccc2)CCC1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1,CHEMBL2420573,0 +O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl,CHEMBL445813,0 +O=C(NCC1CC1)c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1,CHEMBL479038,0 +O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL2005475,0 +O=C(NCCCC1CCCCC1)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1,CHEMBL4531775,0 +O=C(NCCCCCCNC(=O)NCc1cccnc1)NCc1cccnc1,CHEMBL2003420,0 +O=C(NCCCCCCNC(=O)Nc1cccnc1)Nc1cccnc1,CHEMBL1998193,0 +O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1,CHEMBL577784,0 +O=C(NCCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4064274,0 +O=C(NCCc1c[nH]cn1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4075712,0 +O=C(NCCc1cc[nH]n1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4076529,0 +O=C(NCCc1ccccc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4073639,0 +O=C(NCCc1ccccn1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4076131,0 +O=C(NCCc1cccnc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4074476,0 +O=C(NCCc1ccncc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4077459,0 +O=C(NCCc1cn[nH]c1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4081802,0 +O=C(NC[C@@H]1[C@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]12)c1ccc2[nH]nnc2c1,CHEMBL4165749,0 +O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F,CHEMBL2107832,0 +O=C(NCc1c(Cl)cccc1Cl)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4063014,0 +O=C(NCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4091281,0 +O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ncc12,CHEMBL1977713,0 +O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1,CHEMBL1967094,0 +O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccncc2)cs1,CHEMBL3913793,0 +O=C(NCc1cccc2[nH]ccc12)Nc1nc(-c2ccncc2)cs1,CHEMBL3218010,0 +O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1,CHEMBL225282,0 +O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,CHEMBL1964644,0 +O=C(NCc1ccccc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4099398,0 +O=C(NCc1ccccc1C(F)(F)F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4071638,0 +O=C(NCc1cccnc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4077197,0 +O=C(NCc1ccn[nH]1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4090144,0 +O=C(NCc1ccncc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4072898,0 +O=C(NCc1cn[nH]c1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4087244,0 +O=C(NCc1nc2ccccc2[nH]1)Nc1nc(-c2ccncc2)cs1,CHEMBL3975425,0 +O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1,CHEMBL4564312,0 +O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1,CHEMBL4537788,0 +O=C(NCc1ncc[nH]1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F,CHEMBL4075475,0 +O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1966722,0 +O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,CHEMBL1975138,0 +O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,CHEMBL105442,0 +O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F,CHEMBL1614766,0 +O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,CHEMBL507361,0 +O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1,CHEMBL1992645,0 +O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)N1CCc2cnc(NC3CCOCC3)nc2C1,CHEMBL3298678,0 +O=C(N[C@H](CO)c1ccccc1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1,CHEMBL2420564,0 +O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](Oc3ccncc3)CN2C1=O)OC1CCCC1,CHEMBL4516471,0 +O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1,CHEMBL495727,0 +O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1,CHEMBL1993413,0 +O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O,CHEMBL536151,0 +O=C(Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1F,CHEMBL4750196,0 +O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1,CHEMBL2007124,0 +O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1,CHEMBL3545328,0 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+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,CHEMBL1981792,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(OC(F)F)ccc12,CHEMBL1981215,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,CHEMBL1967513,0 +O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12,CHEMBL2007603,0 +O=C(Nc1cccc(Cl)c1)Nc1nc(CCNc2ncnc3ccsc23)cs1,CHEMBL1986177,0 +O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,CHEMBL482767,0 +O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3cn[nH]c3c2)c1,CHEMBL1983393,0 +O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1972119,0 +O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1,CHEMBL387187,0 +O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,CHEMBL383899,0 +O=C(Nc1cccc([C@@H]2CN(c3ncnc4[nH]ccc34)CCN2CCO)c1)Nc1c(F)cccc1N1CCCC1,CHEMBL4564973,0 +O=C(Nc1cccc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccc1N1CCCC1,CHEMBL4555459,0 +O=C(Nc1ccccc1)Nc1ccc2[nH]ncc2c1,CHEMBL2023148,0 +O=C(Nc1ccccc1)Nc1cccc(C(F)(F)F)c1,CHEMBL1605296,0 +O=C(Nc1ccccc1)Nc1ccccc1,CHEMBL354676,0 +O=C(Nc1ccccc1)c1n[nH]c2ccccc12,CHEMBL508964,0 +O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,CHEMBL1077739,0 +O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1,CHEMBL2204495,0 +O=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2Br)c[nH]1,CHEMBL4436895,0 +O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1,CHEMBL4780458,0 +O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1,CHEMBL1651534,0 +O=C(Nc1ccncc1)c1ccccn1,CHEMBL2022281,0 +O=C(Nc1ccncc1)c1cccnc1,CHEMBL67352,0 +O=C(Nc1ccncc1)c1ccncc1,CHEMBL66221,0 +O=C(Nc1ccncc1)c1cncc(-c2ccc(F)cc2)c1,CHEMBL2023145,0 +O=C(Nc1ccncc1)c1cncc(Br)c1,CHEMBL1566648,0 +O=C(Nc1ccncc1)c1cnccc1-c1ccc(F)cc1,CHEMBL2023144,0 +O=C(Nc1ccncc1)c1cnccc1Cl,CHEMBL2022282,0 +O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1,CHEMBL4458424,0 +O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1,CHEMBL1998829,0 +O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CC2)c1,CHEMBL5278465,0 +O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(NC(=O)C2CC2)c1,CHEMBL5288565,0 +O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC(=O)C2CC2)c1,CHEMBL5270581,0 +O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,CHEMBL1992371,0 +O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,CHEMBL1994538,0 +O=C(Nc1cnccn1)Nc1ccnc2c(F)cc(F)cc12,CHEMBL1967336,0 +O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,CHEMBL1975647,0 +O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,CHEMBL2003817,0 +O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,CHEMBL1976455,0 +O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,CHEMBL2002599,0 +O=C(Nc1cnccn1)Nc1ccnc2ccccc12,CHEMBL1981720,0 +O=C(Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12)C1CC1,CHEMBL261440,0 +O=C(Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12)C1CC1,CHEMBL419903,0 +O=C(Nc1n[nH]c2cc(-c3ccccc3)ccc12)C1CC1,CHEMBL405021,0 +O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,CHEMBL1995811,0 +O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(Cl)cc1,CHEMBL1987073,0 +O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1,CHEMBL1966204,0 +O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,CHEMBL1983595,0 +O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,CHEMBL2003638,0 +O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CC1,CHEMBL408564,0 +O=C(Nc1n[nH]c2nc(-c3ccco3)ccc12)C1CC1,CHEMBL101804,0 +O=C(Nc1n[nH]c2nc3ccccc3cc12)c1ccncc1,CHEMBL1990415,0 +O=C(Nc1n[nH]c2nnc(-c3cccnc3)cc12)C1CC1,CHEMBL1909343,0 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2ccco2)CC1,CHEMBL3976768,0 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(Cc2ccccc2)C[C@@H]1Cc1ccccc1,CHEMBL3906049,0 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2cccnc2)CC1,CHEMBL3968238,0 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccncc2)CC1,CHEMBL3890560,0 +O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccncn2)CC1,CHEMBL3900632,0 +O=C(Nc1nc(-c2ccncc2)cs1)NC1Cc2ccccc2C1,CHEMBL3963230,0 +O=C(Nc1nc(-c2ccncc2)cs1)N[C@@H]1CCc2ccccc21,CHEMBL4114172,0 +O=C(Nc1nc(-c2ccncc2)cs1)Nc1ccc(F)cc1F,CHEMBL3965078,0 +O=C(Nc1nc(-c2ccncc2)cs1)Nc1ccccc1F,CHEMBL3919067,0 +O=C(Nc1nc2c(O)cccc2s1)Nc1ccccc1-c1ccccc1,CHEMBL2002690,0 +O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,CHEMBL210887,0 +O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1,CHEMBL379787,0 +O=C(Nc1nccs1)c1ccncc1,CHEMBL421744,0 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+O=C(O)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1,CHEMBL1909401,0 +O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12,CHEMBL1230165,0 +O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21,CHEMBL1182777,0 +O=C(O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1,CHEMBL2420585,0 +O=C(O)c1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1,CHEMBL1719248,0 +O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,CHEMBL1992231,0 +O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,CHEMBL1979933,0 +O=C(O)c1cnc2c(ccc3ccccc32)c1O,CHEMBL216550,0 +O=C(O)c1csc2c1NCCNC2=O,CHEMBL1974875,0 +O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(Cc5ccccc5)cc4)c3s2)C1)N1CCOCC1,CHEMBL1909409,0 +O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)C1)N1CCOCC1,CHEMBL507329,0 +O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(ccn5Cc5cc(F)ccc5F)c4)c3s2)C1)N1CCOCC1,CHEMBL1909410,0 +O=C(Oc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCC(c2ccccc2)C1,CHEMBL3952135,0 +O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCCC1,CHEMBL2006481,0 +O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1,CHEMBL1986530,0 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a/topu-lbvs-full/src/splits/seed_2028/split_info.json b/topu-lbvs-full/src/splits/seed_2028/split_info.json new file mode 100644 index 0000000000000000000000000000000000000000..e682d20053b8946603730b3464b0d4cdf42550ea --- /dev/null +++ b/topu-lbvs-full/src/splits/seed_2028/split_info.json @@ -0,0 +1,30 @@ +{ + "target": "src", + "seed": 2028, + "created_at": "2026-03-09T00:05:49.785798", + "n_actives_total": 2894, + "n_inactives_raw": 28940, + "n_inactives_working": 28940, + "inactive_capped": false, + "raw_ratio": 10.0, + "train_actives": 2459, + "train_inactives": 24590, + "train_total": 27049, + "train_ratio": 10.0, + "train_pct_of_actives": 0.849689011748445, + "val_actives": 435, + "val_inactives": 4350, + "val_total": 4785, + "val_ratio": 10.0, + "val_pct_of_actives": 0.15031098825155495, + "warnings": [], + "n_warnings": 0, + "test_actives": 98, + "test_inactives": 3920, + "test_total": 4018, + "test_ratio": 40.0, + "final_npz": "CHEMBL267_final_ecfp4.npz", + "topu_npz": 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