Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_2	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_3	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.769	0.317	0.011	0.554	0.211	0.795	0.68	0.706	0.938	0.009	0.231
Compound_4	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.294	0.295	0.001	0.318	0.041	0.426	0.012	0.782	0.402	0.454	0.445
Compound_5	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_6	CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.782	0.033	0.433	0.524	0.197	0.245	0.963	0.982	0.362	1.0	0.314
Compound_7	CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCC=CCCCCCCCC)(C)C	0.391	0.273	0.094	0.749	0.378	0.116	0.939	0.747	0.269	0.305	0.333
Compound_8	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.653	0.029	0.174	0.461	0.034	0.047	0.929	0.99	0.407	0.898	0.277
Compound_9	CCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.653	0.029	0.174	0.461	0.034	0.047	0.929	0.99	0.407	0.898	0.277
Compound_10	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_11	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(CCO)C	0.062	0.19	0.009	0.666	0.113	0.128	0.383	0.116	0.099	0.006	0.234
Compound_12	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(CCO)C	0.062	0.19	0.009	0.666	0.113	0.128	0.383	0.116	0.099	0.006	0.234
Compound_13	CCCCCCCCC=CCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCC=CCCCCCCCC)(CCO)C	0.34	0.2	0.012	0.682	0.384	0.217	0.442	0.764	0.139	0.045	0.274
Compound_14	CCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCC)(CCO)C	0.062	0.19	0.009	0.666	0.066	0.106	0.354	0.116	0.099	0.006	0.234
Compound_15	CCCCCCC=CCCCC=CCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCC=CCCCC=CCCCCCC)(CCO)C	0.281	0.2	0.012	0.682	0.322	0.157	0.296	0.764	0.111	0.045	0.274
Compound_16	CCCCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCCCC)(CCO)C	0.062	0.19	0.009	0.666	0.113	0.128	0.383	0.116	0.099	0.006	0.234
Compound_17	CCCCCC=CCCCC=CCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.899	0.112	0.01	0.561	0.193	0.189	0.66	0.739	0.067	0.997	0.355
Compound_18	CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.95	0.112	0.01	0.561	0.237	0.237	0.832	0.739	0.073	0.997	0.355
Compound_19	CCCCCCCCCCCCCCCC(=O)OCC(COS(=O)(=O)[O-])CO	0.827	0.048	0.005	0.548	0.058	0.152	0.849	0.334	0.055	0.922	0.354
Compound_20	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_21	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_22	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_23	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_24	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_25	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_26	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_27	CCCCCCCCCCCCCCCCCOS(=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_28	CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-]	0.994	0.024	0.052	0.421	0.319	0.346	0.999	0.942	0.081	0.999	0.35
Compound_29	CCCCCCCCC=CCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.83	0.052	0.233	0.516	0.155	0.146	0.973	0.996	0.413	0.999	0.275
Compound_30	CCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.016	0.264	0.13	0.782	0.38	0.721	0.366
Compound_31	CCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.022	0.545	0.943	0.782	0.38	0.721	0.366
Compound_32	CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.022	0.545	0.943	0.782	0.38	0.721	0.366
Compound_33	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.843	0.308	0.328	0.434	0.056	0.618	0.97	0.81	0.386	0.957	0.365
Compound_34	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_35	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_36	CCCCCCCCCCCCCCCCCCS(=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_37	CCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.911	0.109	0.225	0.391	0.213	0.112	0.997	0.933	0.593	1.0	0.269
Compound_38	CCCCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.911	0.109	0.225	0.391	0.275	0.165	0.997	0.933	0.593	1.0	0.269
Compound_39	CCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.655	0.09	0.047	0.442	0.055	0.12	0.634	0.817	0.403	0.744	0.277
Compound_40	CCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.655	0.09	0.047	0.442	0.07	0.262	0.698	0.817	0.403	0.744	0.277
Compound_41	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.761	0.186	0.994	0.935	0.445	0.995	0.15
Compound_42	CCCCCCCCCCCCc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-]	0.887	0.49	0.489	0.474	0.682	0.499	0.903	0.976	0.527	0.997	0.254
Compound_43	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.761	0.186	0.994	0.935	0.445	0.995	0.15
Compound_44	CCCCCCCCCCCCCc1ccc(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_45	CC(c1ccc(cc1)S(=O)(=O)[O-])C	0.677	0.306	0.345	0.382	0.69	0.072	0.964	0.587	0.255	0.967	0.079
Compound_46	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.954	0.459	0.054	0.653	0.216	0.86	0.979	0.956	0.948	0.228	0.516
Compound_47	CCCCCCCCCCCCN(=O)(CCO)CCO	0.585	0.319	0.097	0.56	0.094	0.778	0.727	0.661	0.945	0.009	0.379
Compound_48	CCCCCCCCCCCCCCN(=O)(CCO)CCO	0.585	0.319	0.097	0.56	0.094	0.778	0.727	0.661	0.945	0.009	0.379
Compound_49	CCCCCCCCCCCCCCCCN(=O)(CCO)CCO	0.585	0.319	0.097	0.56	0.094	0.778	0.727	0.661	0.945	0.009	0.379
Compound_50	CCCCCCCCC=CCCCCCCCCN(=O)(CCO)CCO	0.775	0.322	0.105	0.585	0.285	0.877	0.68	0.892	0.946	0.023	0.393
Compound_51	CCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_52	CCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_53	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(=O)(C)C	0.576	0.255	0.008	0.402	0.053	0.445	0.507	0.753	0.424	0.048	0.459
Compound_54	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_55	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.46	0.278	0.003	0.323	0.096	0.044	0.361	0.857	0.393	0.03	0.177
Compound_56	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_57	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_58	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.769	0.317	0.011	0.554	0.211	0.795	0.68	0.706	0.938	0.009	0.231
Compound_59	CCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.957	0.005	0.231	0.775	0.11	0.037	0.997	0.076	0.328	0.982	0.887
Compound_60	CCCCCCCCC=CCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.988	0.087	0.434	0.742	0.43	0.097	0.998	0.884	0.41	1.0	0.927
Compound_61	CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)C	0.966	0.005	0.231	0.775	0.101	0.077	0.998	0.076	0.328	0.982	0.887
Compound_62	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC=CCCCCCCCC)COC(=O)C	0.992	0.087	0.434	0.742	0.559	0.111	0.998	0.884	0.41	1.0	0.927
Compound_63	CCCCCCC(OC(=O)C)CCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.946	0.005	0.104	0.761	0.138	0.155	0.998	0.074	0.33	0.982	0.887
Compound_64	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)CO	0.973	0.186	0.044	0.723	0.347	0.159	0.847	0.543	0.162	0.986	0.611
Compound_65	CCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.914	0.023	0.028	0.686	0.074	0.152	0.912	0.337	0.404	0.628	0.878
Compound_66	CCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.914	0.023	0.028	0.686	0.07	0.289	0.904	0.337	0.404	0.628	0.878
Compound_67	CCCCCCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.914	0.023	0.028	0.686	0.07	0.289	0.904	0.337	0.404	0.628	0.878
Compound_68	CCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.769	0.441	0.048	0.73	0.188	0.134	0.903	0.737	0.203	0.961	0.087
Compound_69	CCCCCCCCC=CCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O	0.944	0.5	0.095	0.726	0.568	0.157	0.948	0.962	0.272	0.988	0.117
Compound_70	CCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.426	0.175	0.017	0.517	0.095	0.098	0.31	0.126	0.741	0.745	0.072