Index	SMILES	Probability	Label
Compound_1	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1cccc(c1C)F	0.11	0.0
Compound_2	OC(=O)/C=C/c1ccc(cc1)C1=C(CCOc2c1ccc(c2)F)c1ccc(cc1)O	0.76	1.0
Compound_3	CC/C(=C(\c1cccc2c1cn[nH]2)/c1ccc(cc1)/C=C/C(=O)O)/c1ccccc1	0.51	1.0
Compound_4	FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.04	0.0
Compound_5	Oc1ccc2c(c1)C(=CC12CCc2c1ccc(c2)O)c1ccc(cc1)OCCN1CCCCC1	0.22	0.0
Compound_6	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc(cc1C(F)(F)F)F)O	0.08	0.0
Compound_7	FCCCNCCOc1ncc(c(c1F)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cc(cc1)C)F	0.01	0.0
Compound_8	Oc1cccc(c1)C1=C(C)c2c(OC1c1ccc(cc1)OC[C@@H](N1CCCCC1)C)ccc(c2)O	0.32	0.0
Compound_9	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(c(c1)F)O	0.12	0.0
Compound_10	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc(cc1)OCC(F)(F)F)O	0.05	0.0
Compound_11	CC/C(=C(\c1cc2c([nH]1)cccc2)/c1ccc(cc1)/C=C/C(=O)O)/c1ccc(cc1Cl)C(F)(F)F	0.52	1.0
Compound_12	OC(=O)/C=C/c1ccc(cc1)/C(=C(\c1ccccc1)/C1CCC1)/c1ccc(cc1)c1cncs1	0.61	1.0
Compound_13	O=C(C1CCC(CC1)C(F)(F)F)NCCCCOc1ccc(cc1)C(=C1C2CC3CC1CC(C2)C3)c1ccc(cc1)O	0.06	0.0
Compound_14	FCCCNCCN(c1cc(F)c(c(c1)F)[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1)C	0.01	0.0
Compound_15	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccc(cc1C)OC	0.06	0.0
Compound_16	Oc1ccc2c(c1)CCN(C2(C)c1ccc(cc1)OCCN1CCCC1)c1cccc(c1)F	0.26	0.0
Compound_17	CC/C(=C(\c1ccc2c(c1)cnn2C)/c1ccc(cc1)/C=C/C(=O)O)/c1ccc(cc1Cl)F	0.63	1.0
Compound_18	OC(=O)/C=C/c1cc(F)c(c(c1)F)[C@@]12CCC[C@@H](N1CC(F)(C)C)Cc1c2[nH]c2c1cccc2	0.01	0.0
Compound_19	OC(=O)/C=C/c1ccc(cc1)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.06	0.0
Compound_20	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc(cc1Cl)Cl)O	0.11	0.0
Compound_21	Oc1ccc(cc1)[C@@H]1Sc2cc(C)c(cc2O[C@@H]1c1ccc(cc1)OCCN1CCCCC1)O	0.29	0.0
Compound_22	FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)(F)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.04	0.0
Compound_23	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)CCCN1CCCCC1	0.09	0.0
Compound_24	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(c(c2=CCCC1c1ccc(cc1F)OC(F)(F)F)F)O	0.04	0.0
Compound_25	N#Cc1ccc(cc1)C(=O)c1sc2c(c1c1ccc(cc1)F)ccc(c2)O	0.96	1.0
Compound_26	CCc1cc(O)cc2c1C(=O)C(C(O2)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	0.21	0.0
Compound_27	FCCCNCCOc1ncnc(c1C)C1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_28	C[C@@H]1CCN(C1)[C@H](COc1ccc(cc1)C1Oc2ccc(cc2C(=C1c1ccc(cc1)F)C)O)C	0.24	0.0
Compound_29	FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.03	0.0
Compound_30	COc1cc(O)c(c2c1oc(c2)c1ccc(cc1)O)Br	0.98	1.0
Compound_31	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCC[N+](C(C)C)(C)C)/c1ccccc1	0.04	0.0
Compound_32	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccc(cc1)OC	0.06	0.0
Compound_33	COc1cc(/C=C/c2ccc(cc2)OS(=O)(=O)[C@@H]2CC3=C(C(C2O3)c2ccc(cc2)O)c2ccc(cc2)O)cc(c1)OC	0.84	1.0
Compound_34	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CC2CCC1CC2	0.2	0.0
Compound_35	Oc1ccc(cc1)N(C(=O)c1ccc(c(c1)F)O)c1ccc(cc1)F	0.5	0.0
Compound_36	CCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O	0.5	0.0
Compound_37	FCCCNCCOc1ccc(c(c1Cl)[C@H]1N(CC(C(=O)O)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1)F	0.02	0.0
Compound_38	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CCC2(CC1)OCCO2	0.11	0.0
Compound_39	CCCCc1cc2ccccc2c(c1c1ccc(cc1)O)Oc1ccc(cc1)/C=C/C(=O)O	0.97	1.0
Compound_40	OC[C@@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(cc2S[C@@H]1c1ccc(cc1)O)O	0.03	0.0
Compound_41	FCC1CN(C1)CCOc1ccc(cc1)[C@H]1[C@H](CCc2c1c(O)ccc2)c1ccccc1	0.18	0.0
Compound_42	N#Cc1cc(Cl)ccc1/C(=C(/c1ccc2n(c1)ccn2)\c1ccc(cc1)/C=C/C(=O)O)/C1CCC1	0.07	0.0
Compound_43	CC/C(=C(\c1cc2c([nH]1)cccc2)/c1ccc(cc1)/C=C/C(=O)O)/c1cccc(c1)C	0.77	1.0
Compound_44	C[C@@H]1CCN(C1)[C@H](COc1ccc(cc1)[C@@H]1Oc2ccc(c(c2[C@H]([C@@H]1c1ccc(cc1)O)C)F)O)C	0.07	0.0
Compound_45	CCCCCCCCCC(=O)Oc1ccc(cc1)/C(=C(\c1ccccc1)/C)/c1ccc(cc1)OCCN(C)C	0.23	0.0
Compound_46	Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CC2CC1CC2)c1ccc(cc1)O	0.11	0.0
Compound_47	Oc1ccc(cc1)C1=C(C)c2c(C1=O)c(O)cc(c2)O	0.99	1.0
Compound_48	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CC2C(C1)CC2	0.02	0.0
Compound_49	O=C(N1CCN(CC1)c1ccncc1)CCCCCn1c(=S)[nH]c2c(c1=O)cccc2	0.01	0.0
Compound_50	Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCC1)c1ccc2c(c1)OCO2	0.34	0.0
Compound_51	C#C[C@]1(O)CC[C@@H]2C1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O	0.16	0.0
Compound_52	C[C@@H]1CCN(C1)[C@H](COc1ccc(cc1)[C@@H]1Oc2ccc(cc2[C@H]([C@@H]1c1ccc(cc1)O)C)O)C	0.32	0.0
Compound_53	FCCCNCCOc1ccc(c(c1C)[C@H]1N(CC2(CCC2)C(=O)O)[C@H](C)Cc2c1[nH]c1c2cccc1)F	0.01	0.0
Compound_54	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccc2c(c1)NC(=O)CO2	0.01	0.0
Compound_55	Oc1ccc(c(c1)O)c1oc2c(n1)ccc(c2)O	0.37	0.0
Compound_56	Oc1ccc(cc1)C1C(=C2OC1C(C2)S(=O)(=O)Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O)c1ccc(cc1)O	0.66	1.0
Compound_57	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc2c(c1)OC(O2)(F)F)O	0.05	0.0
Compound_58	C[C@@H](Oc1ccc(cc1)[C@@H]1Oc2ccc(cc2[C@H]([C@@H]1c1ccc(cc1)O)C)O)CN1CCCC1	0.11	0.0
Compound_59	FCCCNCCOc1ccc(c(c1Cl)[C@@H]1c2[nH]c3c(c2C[C@H](N1CC(C(=O)O)C)C(F)(F)F)cccc3)F	0.01	0.0
Compound_60	FCCCNCCOc1cnc(cn1)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.0	0.0
Compound_61	Oc1ccc(cc1)c1sc2c(c1C(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)N(=O)=O)ccc(c2)O	0.35	0.0
Compound_62	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1cnc(=N)[nH]c1	0.0	0.0
Compound_63	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccc(cc1)O	0.03	0.0
Compound_64	COCC(CN1[C@H](C)Cc2c([C@H]1c1ccc(cn1)OCCN1CC(C1)CF)ccc1c2cn[nH]1)(F)F	0.08	0.0
Compound_65	Oc1ccc2c(c1)sc(c2Oc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)C(C)C	0.44	0.0
Compound_66	OC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccc(cc1C(F)(F)F)F	0.83	1.0
Compound_67	CCCC(c1ccc(c(c1)C)O)(c1ccc(c(c1)C)OCCN)CCC	0.18	0.0
Compound_68	Oc1ccc(cc1)CN(c1ccc(cc1)F)c1ccc(cc1)O	0.94	1.0
Compound_69	FCC1CN(C1)CCOc1cc(F)c(c(c1)OC)[C@H]1N(CC(CF)(F)F)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.21	0.0
Compound_70	FCCCN(CCOc1ncc(c(c1C)[C@H]1N(CC(C(=O)O)C)[C@H](C)Cc2c1[nH]c1c2cc(cc1)F)F)C	0.01	0.0
Compound_71	FCCCNCCOc1ccc(cc1)[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1c2cccc1	0.02	0.0
Compound_72	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)C(=O)O)c1ccccc1Cl	0.03	0.0
Compound_73	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1C[C@H]([C@@H](C1)C)C	0.25	0.0
Compound_74	Oc1ccc2c(c1)sc(c2c1ccc(cc1)F)C(=O)C1CCCCC1	0.92	1.0
Compound_75	FC[C@@H]1CCN(C1)[C@H](COc1ccc(cc1)[C@H]1Oc2ccc(cc2C(=C1c1cccc(c1)O)C)O)C	0.29	0.0
Compound_76	CCCc1nnc(o1)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccccc1C(C)C	0.34	0.0
Compound_77	FCCCNCCOc1ncc(c(c1Cl)[C@H]1N(CC(C(=O)O)C)[C@H](C)Cc2c1[nH]c1c2cccc1)F	0.01	0.0
Compound_78	CCCC12CCC(=O)C(C2=c2c(=C1)cc(cc2)O)Br	0.84	1.0
Compound_79	COc1cc(cc2c1C(=O)N(C2)C1CCC(=O)NC1=O)N1CCN(CC1)CCC1CCN(CC1)c1ncc(cn1)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_80	Oc1cc2O[C@H](c3ccc(cc3)OCCN3CCCCC3)[C@@H](Sc2c(c1)O)c1ccc(cc1)O	0.18	0.0
Compound_81	FCCCNCCOc1nccc(c1Cl)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.02	0.0
Compound_82	O=S1C2C[C@@H](C1C(=C2c1ccc(cc1C)O)c1ccc(cc1C)O)S(=O)(=O)Oc1ccccc1Cl	0.92	1.0
Compound_83	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1C1CCOCC1)O	0.04	0.0
Compound_84	FCCCNCCOc1ccc(c(c1C)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1)C	0.01	0.0
Compound_85	COCc1cc(O)cc2c1O[C@@H](c1ccc(cc1)O)[C@@H]1[C@H]2CCC1	0.36	0.0
Compound_86	CCCC[C@]12CCC(=O)C(=C2c2c(C1)c1cn[nH]c1cc2)CC	0.17	0.0
Compound_87	FCC1CN(C1)CCOc1cc(F)c(c(c1)F)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1ccc1c2c(F)n[nH]1	0.05	0.0
Compound_88	C[C@H](Oc1ccc(cc1)[C@@H]1Oc2ccc(cc2S[C@@H]1c1ccc(cc1)O)O)CN1CCCC1	0.18	0.0
Compound_89	BrC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Br)Br	1.0	1.0
Compound_90	FCCCN1CC(C1)Nc1ccc(c(c1)F)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.02	0.0
Compound_91	Oc1ccc(cc1)N1C(=O)C([C@@H]1c1ccc(cc1)O)(c1ccccc1)c1ccccc1	0.5	0.0
Compound_92	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(c2c1cccc2)O	0.4	0.0
Compound_93	FCC1CN(C1)CCOc1ccc(c(c1)F)[C@@H]1c2[nH]c3c(c2C[C@H](N1S(=O)(=O)C)C)cccc3	0.22	0.0
Compound_94	FCCCN1CC(C1)Nc1ccc(nc1F)[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.06	0.0
Compound_95	FCCCN1CC(C1)Nc1ccc(c(c1)OC)[C@H]1N(CC(F)(F)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.02	0.0
Compound_96	CCOC(=O)c1ccc(cc1)c1sc2c(c1C(=O)c1ccc(cc1)OCCN1CCCCC1)ccc(c2)O	0.25	0.0
Compound_97	OC(=O)/C=C/c1ccc(cn1)Oc1c(sc2c1ccc(c2)O)c1ccccc1C(C)C	0.85	1.0
Compound_98	Fc1cc(F)c2c(c1)c1ccc3c(c1[C@@H](O2)c1ccc(cc1)OCCN1CCCCC1)ccc(c3)O	0.34	0.0
Compound_99	FCC1CN(C1)CCOc1ccc(cc1)[C@@]1(C)N(CC2(F)COC2)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.08	0.0
Compound_100	FCCCNCCOc1ccc(cc1)[C@H]1N(CC(F)(F)C)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_101	Oc1ccc(c(c1)F)c1ccc2c(c1)ccc(c2Cl)O	0.98	1.0
Compound_102	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)c1ccccc1	0.29	0.0
Compound_103	FCCCN1CC(C1)Nc1cc(F)c(c(c1)F)[C@H]1N(CC(COC)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_104	FCC1CN(C1)CCOc1ccc(c(c1)OC)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.08	0.0
Compound_105	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc(nc1)C(F)(F)F)O	0.02	0.0
Compound_106	CCc1ccc2c(c1)C(Cc1c2c(C)cc(c1)O)c1ccc(cc1)OCCN1CCOCC1	0.43	0.0
Compound_107	Oc1ccc(cc1)C(=Nc1ccc(cc1)Br)c1ccc(cc1)O	0.9	1.0
Compound_108	CCCN1CC(C1)Nc1cc(F)c(c(c1)F)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.02	0.0
Compound_109	FCCCNCCOc1ncc(c(c1C)[C@H]1N(CC(C(=O)O)C)[C@H](C)Cc2c1[nH]c1c2cccc1)F	0.01	0.0
Compound_110	Fc1cccc(c1)c1sc2c(c1C(=O)c1ccc(cc1)OCCN1CCCCC1)ccc(c2)O	0.24	0.0
Compound_111	OC(=O)/C=C/c1ccc(cc1)C1(C)N(CCc2c1ccc(c2)O)c1ccc(cc1)CC(C)C	0.2	0.0
Compound_112	CC[C@H](N1CCCC1)COc1ccc(cc1)[C@@H]1Oc2ccc(cc2S[C@@H]1c1ccc(cc1)O)O	0.25	0.0
Compound_113	Oc1ccc2c(c1)sc(c2C(c1ccc(cc1)OCCN1CCCCC1)O)c1ccc(cc1)O	0.2	0.0
Compound_114	COc1ccc(cc1)c1sc2c(c1Oc1ccc(cc1)OCCN1CCCCC1)ccc(c2)O	0.15	0.0
Compound_115	O=C(/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccc(cc1)O)NCCC(F)(F)F	0.15	0.0
Compound_116	FCCCN1CC[C@@H](C1)OC1CCC(CC1)C1C(=C2CCC3=NCCC3C2)CCCc2c1ccc(c2)O	0.0	0.0
Compound_117	FCC1CN(C1)CCOc1ccc(cc1)C1Oc2ccc(cc2C(=C1c1ccc(cc1)C#N)C)O	0.09	0.0
Compound_118	FCC1CN(C1)CCOc1cc(F)c(c(c1)F)[C@H]1N(C[C@](CO)(F)C)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_119	Oc1ccc(cc1)[C@@H]1Oc2c(C)cc(cc2[C@H]2[C@@H]1CCC2)O	0.96	1.0
Compound_120	FCCCN[C@@H](COc1ccc(c(c1)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1)OC)C	0.0	0.0
Compound_121	CCCc1cc(c(cc1O)CC)c1noc2c1ccc(c2)O	0.52	1.0
Compound_122	Oc1ccc(cc1)C1Oc2ccc(cc2C(=O)C1C)O	0.99	1.0
Compound_123	Oc1ccc(cc1)N(c1ccc(cc1)O)Cc1cccc(c1C)C	0.75	1.0
Compound_124	FCCCNCCOc1ccc(cc1)[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.02	0.0
Compound_125	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCCN1CCCC1	0.09	0.0
Compound_126	CCOC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccccc1C(C)C	0.82	1.0
Compound_127	CC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccc(cc1C(F)(F)F)F	0.91	1.0
Compound_128	FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(C)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.01	0.0
Compound_129	Oc1ccc2c(c1)sc(c2Oc1ccc(cc1)/C=C/c1nnc(o1)C1CC1)c1ccc(cc1C)F	0.36	0.0
Compound_130	FCC1CN(C1)CCOc1ccc(cc1)[C@@H]1c2[nH]c3c(c2C[C@H](N1S(=O)(=O)C)C)cccc3	0.05	0.0
Compound_131	OCCCCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.1	0.0
Compound_132	Oc1cc2O[C@H](c3ccc(cc3)OCCN3CCCCC3)[C@@H](Sc2c(c1)F)c1ccc(cc1)O	0.13	0.0
Compound_133	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccccc1C	0.09	0.0
Compound_134	FCCCNCCOc1ncc(c(c1F)[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1c2cccc1)F	0.01	0.0
Compound_135	FCCCNCCOc1cc(F)c(c(c1F)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1)OC	0.01	0.0
Compound_136	Oc1ccc(c(c1)C)c1ccc2c(c1)ccc(c2)O	1.0	1.0
Compound_137	Cc1ccc(cc1)N=C(c1ccc(cc1O)O)c1ccc(cc1)O	0.88	1.0
Compound_138	CC(NC(=O)Cc1c([nH]c2c1cccc2)c1ccccc1)CCc1ccccc1	0.18	0.0
Compound_139	CC1=CC(C)(C)[C@@]2(C[C@H]1[C@@H](OC2)c1ccc(cc1Cl)O)O	0.67	1.0
Compound_140	CCCC(c1ccc(c(c1)C)O)(c1ccc(c(c1)C)O)CCC	0.91	1.0
Compound_141	FCCCNCCOc1ccnc(c1)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_142	NCCCC[C@@H](C(=O)N[C@@]1(C)CCC/C=C\CCC[C@](C)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1[nH]cnc1)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CC(=O)O)CCC(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C)CCCN=C(N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N	0.01	0.0
Compound_143	Fc1ccc(cc1)c1sc2c(c1C(=O)c1ccc(cc1)C(F)(F)F)ccc(c2)O	0.96	1.0
Compound_144	FCCCNCCNc1ccc(c(c1F)[C@H]1N(CC(CO)(F)F)[C@H](C)Cc2c1[nH]c1c2cc(cc1)F)F	0.01	0.0
Compound_145	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccc2c(c1)CC(N2C(=O)C)(C)C	0.04	0.0
Compound_146	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc2c(c1)NCCC2)O	0.01	0.0
Compound_147	FCCCNCCOc1ccc(c(c1)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1)COC	0.01	0.0
Compound_148	Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CCCC1	0.19	0.0
Compound_149	CCCC(c1ccc(c(c1)C)O)(c1ccc(c(c1)C)OCCNCCCCCC)CCC	0.25	0.0
Compound_150	OC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)C(=O)c1ccccc1C	0.93	1.0
Compound_151	FCC1CN(C1)CCOc1ccc(cc1)[C@H]1[C@H](CCc2c1ccc(c2)O)C1CCC(CC1)(F)F	0.24	0.0
Compound_152	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1ccc2c(c1)n(C)nn2	0.02	0.0
Compound_153	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1C1CCC(CC1)O)O	0.02	0.0
Compound_154	OCCCCNC(=O)/C=C/c1ccc(cc1)C(=C1C2CC3CC1CC(C2)C3)c1ccc(cc1)O	0.17	0.0
Compound_155	FCC1CN(C1)CCOc1ccc(nc1)[C@H]1N(CC(C)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.06	0.0
Compound_156	FCCCNCCOc1ncnc(c1C)C1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1	0.02	0.0
Compound_157	Oc1ccc(cc1)C(=C1C2CC3CC1CC(C2)C3)c1ccc(cc1)OCCCCNC(=O)C12CC3CC2CC(C1)C3	0.05	0.0
Compound_158	CCCCNC(=O)/C=C/c1ccc(cc1)C(=C1C2CC3CC1CC(C2)C3)c1ccc(cc1)O	0.27	0.0
Compound_159	CN(CCOc1ccc(cc1)C(=C(c1ccccc1)C)c1ccc(cc1)O)C	0.2	0.0
Compound_160	CCc1c(oc(c1c1ccc(cc1)OCCN1CCCCC1)c1ccccc1)c1ccc(cc1)O	0.39	0.0
Compound_161	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc(cc1)C1COC1)O	0.07	0.0
Compound_162	CC[C@]12CCC(=O)C(=C2c2c(C1)c1cn[nH]c1cc2)c1ccccc1	0.12	0.0
Compound_163	Oc1ccc(cc1)c1cc(F)c2c(c1)ccc(c2Cl)O	0.99	1.0
Compound_164	FCCCNCCOc1ccc(cn1)[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_165	FCCCN1CC(C1)Oc1ccc(cc1)Oc1c(sc2c1ccc(c2)O)C(=O)c1c(C)cc(cc1C)F	0.17	0.0
Compound_166	CC(CN1CCc2c([C@H]1c1ccc(cc1)/C=C/C(=O)O)ccc1c2cn[nH]1)C	0.04	0.0
Compound_167	OC(=O)/C=C/c1ccc(cc1)C1N(CCc2c1ccc(c2)O)c1ccccc1	0.26	0.0
Compound_168	Oc1ccc2c(c1)OC(C1=C2CCOc2c1ccc(c2)O)c1ccc(cc1)OCCN1CCCCC1	0.17	0.0
Compound_169	Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCC1C)c1ccc(cc1)O	0.23	0.0
Compound_170	OC(=O)/C=C/c1cc(F)c(c(c1)F)[C@@]1(C)N(CC(F)(C)C)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.12	0.0
Compound_171	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C	0.05	0.0
Compound_172	NCCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O	0.18	0.0
Compound_173	FCC1CN(C1)CCOc1ccc(cn1)[C@@H]1[C@@H](CCc2c1ccc(c2)O)c1ccccc1	0.02	0.0
Compound_174	FCCCN1CC(C1)N(c1ccc(nc1)[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1c2cn[nH]1)C	0.02	0.0
Compound_175	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CCC(C1)(C)C	0.15	0.0
Compound_176	Fc1ccc2c(c1)OCCC(=C2c1ccc(cc1)/C=C/C(=O)N1CCN(CC1)c1ccc(cc1)C)c1ccc(cc1)O	0.01	0.0
Compound_177	Oc1ccc(cc1)C(=Nc1ccccc1)c1ccc(cc1O)O	0.85	1.0
Compound_178	C[C@@H](NC(=O)Cc1c(c2ccccc2)n(c2c1cccc2)Cc1ccc(cc1)OCCN1CCCCC1)CCc1ccc(cc1)O	0.03	0.0
Compound_179	FCCCCN1CC(C1)Oc1cc(F)c(c(c1)F)[C@H]1N(CC(F)(C)C)[C@H](C)Cc2c1[nH]c1c2cccc1	0.04	0.0
Compound_180	FC[C@@H]1CCCN1CCOc1ccc(cc1)C1Oc2ccc(cc2C(=C1c1cccc(c1)O)C)O	0.09	0.0
Compound_181	CCC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)CC	0.99	1.0
Compound_182	FCCCNCCNc1ccc(nc1)[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.02	0.0
Compound_183	Oc1ccc(cc1)[C@@H]1[C@@H](Oc2c([C@H]1C)c(F)c(cc2)O)c1ccc(cc1)OCCN1CCCCC1	0.12	0.0
Compound_184	Oc1ccc(cc1)CCN=c1[nH]c(SCCCc2ccc(cc2)Cl)nc(n1)N1CCNCC1	0.02	0.0
Compound_185	C[C@@H]1CCN(C1)[C@H](COc1ccc(cc1)C1Oc2ccc(cc2C(=C1c1ccc(cc1)O)C)O)C	0.35	0.0
Compound_186	CCCCN(C(=O)CCCCCCCCCCSC1C(=O)c2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O)C	0.24	0.0
Compound_187	COc1ccc(cc1)c1cn(c2ccc(cc2)O)c(=O)c2c1cc(O)cc2O	0.08	0.0
Compound_188	CCOC(=O)C1(Cc2c(C1)ccc(c2)[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O)C(=O)C	0.33	0.0
Compound_189	CCC(=C(c1ccc2c(c1)nn[nH]2)c1ccc(cc1)/C=C/C(=O)O)c1ccccc1	0.36	0.0
Compound_190	FCCCNCCOc1ccnc(c1F)C1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1c2cccc1	0.01	0.0
Compound_191	CCSC1=C(c2ccc(cc2)O)C(=O)c2c1ccc(c2)O	0.94	1.0
Compound_192	FCCCN[C@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1c2cccc1)C	0.01	0.0
Compound_193	CCCN(CCOc1ccc(cc1)Cn1c2ccc(cc2c(c1c1ccc(cc1)O)C)O)CCC	0.38	0.0
Compound_194	Oc1ccc(cc1)[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(cc1)OCCN1CCCCC1	0.2	0.0
Compound_195	Oc1ccc2c(c1)sc1c2C(c2ccc(cc2)C(CCN2CCCCC2)O)c2c(C1)cccc2O	0.03	0.0
Compound_196	FCCCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.14	0.0
Compound_197	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(c(c2=CCCC1c1ccc(c(c1)F)OC(F)F)F)O	0.04	0.0
Compound_198	Oc1ccc(cc1)[C@@H]1Oc2ccc(cc2[C@H]2[C@@H]1C[C@H](C2)C(F)(F)F)O	0.96	1.0
Compound_199	FCCCN1CC(C1)Nc1ccc(nc1)[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1c2cn[nH]1	0.04	0.0
Compound_200	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=c2ccc(cc2=CCCC1c1ccc(cc1)OC(F)F)O	0.05	0.0
Compound_201	FCCCNCCOc1ccc(c(c1F)[C@H]1N(CC(C(=O)O)C)[C@H](C)Cc2c1[nH]c1c2cccc1)F	0.01	0.0
Compound_202	FCC1CN(C1)CCNc1ccc(cc1)[C@@H]1[C@@H](CCc2c1ccc(c2)O)c1ccccc1	0.03	0.0
Compound_203	Oc1ccc2c(c1)onc2c1ccc2c(c1)cccc2O	0.82	1.0
Compound_204	OC(=O)/C=C/c1ccc(cc1)/C(=C(\c1ncc(cc1Cl)C(F)(F)F)/C1CCC1)/c1ccc(cc1)c1cncs1	0.29	0.0
Compound_205	FCCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)O)c1cnc(c(c1)C)OC	0.01	0.0