Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	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_2	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_3	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_4	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_5	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_6	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_7	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_8	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_9	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_10	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_11	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_12	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_13	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_14	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_15	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_16	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_17	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_18	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_19	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_20	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_21	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_22	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_23	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_24	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_25	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_26	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_27	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_28	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_29	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_30	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_31	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_32	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
Compound_33	[O-]C(=O)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.931	0.033	0.374	0.564	0.317	0.019	0.977	0.791	0.148	0.949	0.971
Compound_34	[O-]C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.957	0.025	0.515	0.679	0.384	0.03	0.997	0.825	0.105	0.949	0.975
Compound_35	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.952	0.025	0.515	0.679	0.384	0.03	0.997	0.825	0.105	0.949	0.975
Compound_36	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.952	0.025	0.515	0.679	0.384	0.03	0.997	0.825	0.105	0.949	0.975
Compound_37	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.952	0.025	0.515	0.679	0.384	0.03	0.997	0.825	0.105	0.949	0.975
Compound_38	[O-]C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.931	0.025	0.515	0.679	0.256	0.017	0.978	0.825	0.109	0.949	0.975
Compound_39	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.921	0.025	0.515	0.679	0.258	0.019	0.955	0.825	0.119	0.949	0.975
Compound_40	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.921	0.025	0.515	0.679	0.258	0.019	0.955	0.825	0.119	0.949	0.975
Compound_41	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.921	0.025	0.515	0.679	0.258	0.019	0.955	0.825	0.119	0.949	0.975
Compound_42	FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.818	0.12	0.55	0.744	0.173	0.096	0.995	0.224	0.337	0.997	0.251
Compound_43	CCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.652	0.29	0.036	0.818	0.694	0.816	0.984	0.972	0.723	0.364	0.349
Compound_44	CCCCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.652	0.29	0.036	0.818	0.694	0.816	0.984	0.972	0.723	0.364	0.349
Compound_45	CCCCCCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.652	0.29	0.036	0.818	0.694	0.816	0.984	0.972	0.723	0.364	0.349
Compound_46	CCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_47	CCCCCCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_48	CCCCCCCCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_49	CCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.653	0.734	0.033	0.609	0.059	0.796	0.975	0.268	0.606	0.06	0.267
Compound_50	CCCCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.653	0.734	0.033	0.609	0.059	0.796	0.975	0.268	0.606	0.06	0.267
Compound_51	CCCCCCCCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.653	0.734	0.033	0.609	0.059	0.796	0.975	0.268	0.606	0.06	0.267
Compound_52	CCCCCCC1(CCCCCC)OCC(O1)C[N+](C)(C)C	0.17	0.514	0.019	0.488	0.129	0.274	0.657	0.52	0.266	0.519	0.223
Compound_53	CCCCCCCCC(C[N+](C)(C)C)CCCCCC	0.94	0.663	0.031	0.55	0.045	0.7	0.84	0.371	0.566	0.421	0.237
Compound_54	OCC[N+](CC(CCCCCCCC)CCCCCCCC)(C)C	0.576	0.358	0.007	0.498	0.038	0.551	0.271	0.047	0.456	0.054	0.157
Compound_55	CCCCCCCCC1(C)OCC(O1)C[N+](C)(C)C	0.169	0.514	0.019	0.501	0.129	0.274	0.657	0.52	0.293	0.519	0.223
Compound_56	CCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.058	0.163	0.092	0.614	0.254	0.519	0.223
Compound_57	CCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.09	0.114	0.006	0.355	0.062	0.032	0.199	0.012	0.331	0.114	0.098
Compound_58	CCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_59	CCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.034	0.37	0.016	0.357	-0.0	0.309	0.254	0.108	0.385	0.013	0.127
Compound_60	CCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.78	0.512	0.052	0.603	0.667	0.767	0.373	0.314	0.292	0.142	0.294
Compound_61	CCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.78	0.512	0.052	0.603	0.667	0.767	0.373	0.314	0.292	0.142	0.294
Compound_62	CCCCCCCCCCC1(C)OCC(O1)C[N+](C)(C)C	0.169	0.514	0.019	0.501	0.129	0.274	0.657	0.52	0.293	0.519	0.223
Compound_63	CCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_64	CCCCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.09	0.114	0.006	0.355	0.062	0.032	0.199	0.012	0.331	0.114	0.098
Compound_65	CCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.081	0.231	0.0	0.315	0.019	0.175	0.006	0.006	0.367	0.001	0.129
Compound_66	CCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.239	0.378	0.014	0.331	-0.0	0.428	0.571	0.109	0.424	0.018	0.101
Compound_67	CCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.77	0.646	0.43	0.718	0.241	0.428	0.166	0.989	0.085	0.921	0.675
Compound_68	CCCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_69	CCCCCCCCCCCCC(=O)NCC[N+](C)(C)C	0.103	0.3	0.006	0.35	0.007	0.133	0.142	0.06	0.319	0.049	0.211
Compound_70	CCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.034	0.37	0.016	0.357	-0.0	0.309	0.254	0.108	0.385	0.013	0.127