Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCC(Oc1ccccc1)CCS(=O)(=O)[O-]	0.688	0.379	0.35	0.536	0.14	0.693	0.968	0.96	0.376	0.98	0.284
Compound_2	CCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.664	0.08	0.047	0.423	0.055	0.12	0.634	0.867	0.352	0.869	0.279
Compound_3	CCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.931	0.025	0.575	0.427	0.107	0.411	0.998	0.92	0.23	0.989	0.59
Compound_4	CCCCCCCCCCCC(OS(=O)(=O)[O-])OCC	0.956	0.019	0.07	0.394	0.056	0.297	0.994	0.839	0.144	0.934	0.349
Compound_5	CCCCCCCCCCCC(OS(=O)(=O)[O-])(OCCOCC)OCCOCC	0.926	0.065	0.478	0.458	0.188	0.65	0.998	0.889	0.315	0.946	0.591
Compound_6	CCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_7	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OCC	0.607	0.02	0.409	0.518	0.06	0.111	0.936	0.943	0.414	0.875	0.288
Compound_8	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OCCCC	0.505	0.019	0.159	0.533	0.058	0.179	0.961	0.945	0.423	0.886	0.295
Compound_9	CCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.215	0.994	0.332
Compound_10	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.933	0.407	0.993	0.147
Compound_11	CCCCCCCCCCCCC(COS(=O)(=O)[O-])CC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.368	0.068	0.989	0.341
Compound_12	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CC	0.985	0.057	0.034	0.361	0.063	0.076	0.998	0.893	0.199	0.994	0.332
Compound_13	CCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.21	0.081	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_14	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.356	0.994	0.332
Compound_15	CCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_16	CCCCCCCCCCCCC(S(=O)(=O)[O-])CO	0.655	0.05	0.098	0.39	0.057	0.138	0.532	0.817	0.401	0.463	0.282
Compound_17	CCCCCCCCCCCCC(OCCc1ccc(cc1)S(=O)(=O)[O-])O	0.545	0.196	0.078	0.448	0.57	0.464	0.803	0.846	0.271	0.602	0.237
Compound_18	CCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.848	0.038	0.171	0.357	0.072	0.124	0.952	0.993	0.453	0.956	0.28
Compound_19	CCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.969	0.11	0.347	0.464	0.285	0.111	1.0	0.98	0.718	1.0	0.253
Compound_20	CCCCCCCCCCCCCC(=O)CCS(=O)(=O)[O-]	0.885	0.095	0.23	0.384	0.057	0.115	0.991	0.871	0.363	0.998	0.271
Compound_21	CCCCCCCCCCCCCC(COS(=O)(=O)[O-])C	0.985	0.012	0.066	0.353	0.076	0.18	0.996	0.676	0.066	0.989	0.341
Compound_22	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.215	0.994	0.332
Compound_23	CCCCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.933	0.407	0.993	0.147
Compound_24	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OC	0.769	0.08	0.059	0.342	0.06	0.277	0.983	0.931	0.364	0.989	0.3
Compound_25	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OCCC	0.725	0.079	0.13	0.407	0.068	0.356	0.983	0.919	0.37	0.998	0.308
Compound_26	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])OCCCC	0.765	0.079	0.069	0.404	0.068	0.356	0.983	0.924	0.379	0.998	0.308
Compound_27	CCCCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.664	0.08	0.047	0.423	0.07	0.262	0.698	0.867	0.352	0.869	0.279
Compound_28	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.931	0.025	0.575	0.427	0.107	0.411	0.998	0.92	0.23	0.989	0.59
Compound_29	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])OCC	0.956	0.019	0.07	0.394	0.07	0.505	0.998	0.839	0.144	0.934	0.349
Compound_30	CCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCCOCC)OCCOCC	0.926	0.065	0.478	0.458	0.188	0.65	0.998	0.889	0.315	0.946	0.591
Compound_31	CCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_32	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.653	0.029	0.174	0.461	0.045	0.105	0.972	0.99	0.407	0.898	0.277
Compound_33	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.356	0.994	0.332
Compound_34	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_35	CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCCCCCCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_36	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CC	0.808	0.038	0.237	0.369	0.08	0.222	0.97	0.99	0.379	0.956	0.28
Compound_37	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CCC	0.757	0.038	0.237	0.372	0.075	0.192	0.965	0.962	0.389	0.956	0.28
Compound_38	CCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.848	0.038	0.171	0.357	0.093	0.265	0.97	0.993	0.453	0.956	0.28
Compound_39	CCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.969	0.11	0.347	0.464	0.36	0.165	1.0	0.98	0.718	1.0	0.253
Compound_40	CCCCCCCCCCCCCCCC(=O)NC(C(=O)[O-])C(C)C	0.163	0.036	0.015	0.253	0.039	0.033	0.354	0.208	0.262	0.831	0.138
Compound_41	CCCCCCCCCCCCCCCC(=O)NC(C(=O)[O-])CC(C)C	0.181	0.036	0.075	0.262	0.032	0.029	0.342	0.243	0.293	0.831	0.138
Compound_42	CCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.215	0.994	0.332
Compound_43	CCCCCCCCCCCCCCCC(CCS(=O)(=O)[O-])O	0.664	0.08	0.047	0.423	0.07	0.262	0.698	0.867	0.352	0.869	0.279
Compound_44	CCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.931	0.025	0.575	0.427	0.107	0.411	0.998	0.92	0.23	0.989	0.59
Compound_45	CCCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.081	0.024	0.999	0.777	0.146	0.998	0.915
Compound_46	CCCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.215	0.994	0.332
Compound_47	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C(C)C	0.808	0.069	0.134	0.365	0.073	0.18	0.97	0.986	0.375	0.938	0.288
Compound_48	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CC	0.808	0.038	0.237	0.369	0.08	0.222	0.97	0.99	0.379	0.956	0.28
Compound_49	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)CCC	0.757	0.038	0.237	0.372	0.075	0.192	0.965	0.962	0.389	0.956	0.28
Compound_50	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])OC(=O)C	0.848	0.038	0.171	0.357	0.093	0.265	0.97	0.993	0.453	0.956	0.28
Compound_51	CCCCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.969	0.11	0.347	0.464	0.356	0.296	1.0	0.98	0.718	1.0	0.253
Compound_52	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.085	0.275	0.999	0.921	0.058	0.993	0.353
Compound_53	CCCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.099	0.25	0.997	0.957	0.271	0.998	0.273
Compound_54	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.085	0.275	0.999	0.921	0.058	0.993	0.353
Compound_55	CCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.099	0.25	0.997	0.957	0.271	0.998	0.273
Compound_56	CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_57	CCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_58	CCCCCCCCCCCCCCOC(=O)CCS(=O)(=O)[O-]	0.812	-0.0	0.251	0.559	0.08	0.222	0.97	0.935	0.392	0.998	0.317
Compound_59	CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.662	0.01	0.137	0.541	0.096	0.166	0.95	0.921	0.484	0.987	0.315
Compound_60	CCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_61	CCCCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_62	CCCCCCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.505	0.423	0.426	0.3	0.5	0.362	0.841	0.364	0.258	0.436	0.444
Compound_63	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_64	CCCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_65	CCCCCCCCCCCCC[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.341	0.272	0.403	0.266	0.41	0.218	0.141	0.467	0.158	0.099	0.38
Compound_66	CCCCCCCCCCCCOCC(=O)[O-]	0.941	0.062	0.048	0.432	0.058	0.081	0.998	0.857	0.653	0.997	0.91
Compound_67	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_68	CCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_69	CCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_70	CCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_71	CCCCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.505	0.423	0.426	0.3	0.5	0.362	0.841	0.364	0.258	0.436	0.444
Compound_72	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.767	0.122	0.993	0.935	0.445	0.995	0.15
Compound_73	CCCCCCCCCCCOCCOCCS(=O)(=O)[O-]	0.826	0.075	0.132	0.496	0.072	0.23	0.969	0.911	0.429	0.971	0.332
Compound_74	CCCCCCCCCCCOCCS(=O)(=O)[O-]	0.656	0.065	0.132	0.472	0.056	0.196	0.96	0.934	0.421	0.983	0.321
Compound_75	CCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_76	CCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.662	0.01	0.137	0.541	0.072	0.124	0.952	0.921	0.484	0.987	0.315
Compound_77	CCCCCCCCCCOCCS(=O)(=O)[O-]	0.656	0.065	0.132	0.472	0.056	0.196	0.96	0.934	0.421	0.983	0.321
Compound_78	CCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_79	CCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_80	CCCCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.505	0.423	0.426	0.3	0.5	0.362	0.841	0.364	0.258	0.436	0.444
Compound_81	CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.767	0.122	0.993	0.935	0.445	0.995	0.15
Compound_82	CCCCCCCCCOCCS(=O)(=O)[O-]	0.656	0.065	0.132	0.472	0.056	0.196	0.96	0.934	0.421	0.983	0.321
Compound_83	CCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_84	CCCCCCCCCc1ccc(cc1)OS(=O)[O-]	0.655	0.281	0.261	0.39	0.272	0.744	0.917	0.834	0.837	1.0	0.334
Compound_85	CCCCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCCCC	0.629	0.019	0.222	0.565	0.089	0.272	0.965	0.953	0.419	0.978	0.299
Compound_86	CCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.645	0.01	0.137	0.541	0.072	0.124	0.952	0.921	0.484	0.987	0.315
Compound_87	CCCCCCCCOS(=O)(=O)[O-]	0.983	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_88	CCCCCCCCS(=O)(=O)[O-]	0.886	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_89	CCCCCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.505	0.423	0.426	0.3	0.5	0.289	0.582	0.364	0.258	0.436	0.444
Compound_90	CCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.727	0.099	0.991	0.935	0.445	0.995	0.15
Compound_91	CCCCCCCOS(=O)(=O)[O-]	0.962	0.01	0.047	0.418	0.023	0.05	0.998	0.921	0.054	0.993	0.353
Compound_92	CCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.834	0.212	0.161	0.373	0.727	0.099	0.991	0.935	0.399	0.995	0.15
Compound_93	CCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCC	0.458	0.019	0.222	0.565	0.074	0.206	0.854	0.953	0.414	0.978	0.299
Compound_94	CCCCCCOC(=O)CS(=O)(=O)[O-]	0.437	0.01	0.137	0.541	0.047	0.139	0.963	0.921	0.455	0.987	0.315
Compound_95	CCCCCCOS(=O)(=O)[O-]	0.954	0.01	0.047	0.418	0.022	0.062	0.997	0.921	0.107	0.993	0.353
Compound_96	CCCCCCS(=O)(=O)[O-]	0.788	0.085	0.207	0.389	0.029	0.058	0.994	0.957	0.26	0.998	0.273
Compound_97	CCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCC	0.397	0.019	0.222	0.565	0.062	0.14	0.912	0.953	0.413	0.978	0.299
Compound_98	CCCCCc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.424	0.443	0.426	0.3	0.5	0.289	0.582	0.364	0.199	0.13	0.429
Compound_99	CCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCC	0.366	0.029	0.205	0.539	0.067	0.139	0.916	0.931	0.414	0.98	0.296
Compound_100	FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)C(=O)[O-])(F)F)(F)F)(F)F)F	0.899	0.033	0.614	0.548	0.315	0.051	0.943	0.759	0.174	0.949	0.971