Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_2	CCCCCCCCC=CCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCC=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_3	CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.528	0.01	0.23	0.523	0.044	0.084	0.939	0.854	0.348	0.987	0.315
Compound_4	CCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.528	0.01	0.23	0.523	0.06	0.111	0.936	0.854	0.348	0.987	0.315
Compound_5	CCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.068	0.118	0.003	0.193	0.028	0.083	0.128	0.307	0.339	0.356	0.262
Compound_6	CCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.068	0.118	0.003	0.193	0.028	0.083	0.128	0.307	0.339	0.356	0.262
Compound_7	CCCCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.068	0.118	0.003	0.193	0.028	0.083	0.128	0.307	0.339	0.356	0.262
Compound_8	CCCCCCCC=CCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.264	0.168	0.004	0.215	0.075	0.168	0.157	0.663	0.341	0.614	0.296
Compound_9	CCCCCCCCCCCCCCCCCC(=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_10	CCCCCCC(CCC)CO	0.928	0.041	0.07	0.566	0.063	0.041	0.923	0.11	0.595	0.826	0.666
Compound_11	CCCCCC(CO)CC	0.92	0.041	0.07	0.56	0.063	0.041	0.923	0.097	0.34	0.826	0.666
Compound_12	CCCCCCCCCCCCOCCS(=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_13	CCCCCCCCCCCCCCCCOCCS(=O)(=O)[O-]	0.656	0.065	0.132	0.472	0.07	0.398	0.965	0.934	0.421	0.983	0.321
Compound_14	CCCCCCCCOCCS(=O)(=O)[O-]	0.638	0.065	0.132	0.472	0.056	0.196	0.96	0.934	0.421	0.983	0.321
Compound_15	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_16	CCCCCCCCCCOOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.844	0.03	0.142	0.484	0.121	0.21	0.949	0.962	0.416	0.839	0.309
Compound_17	CCCCCCCCCCCCOOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.844	0.03	0.142	0.484	0.149	0.231	0.925	0.962	0.416	0.839	0.309
Compound_18	CCCCCCCCCCCCOCC(=O)O	0.816	0.091	0.028	0.335	0.085	0.148	0.976	0.361	0.34	0.877	0.404
Compound_19	CCCCCCCCCCCCCOCC(=O)O	0.816	0.091	0.028	0.335	0.085	0.148	0.976	0.361	0.34	0.877	0.404
Compound_20	CCCCCCCCCCCCCCOCC(=O)O	0.816	0.091	0.028	0.335	0.11	0.393	0.999	0.361	0.34	0.877	0.404
Compound_21	CCCCCCCCCCC(COCCCCCCCC)O	0.863	0.152	0.037	0.559	0.206	0.572	0.977	0.492	0.623	0.957	0.539
Compound_22	CCCCCCCCCCOCC(CCCCCCCCCC)O	0.863	0.152	0.037	0.559	0.206	0.572	0.977	0.492	0.623	0.957	0.539
Compound_23	CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.528	0.01	0.23	0.523	0.058	0.179	0.961	0.854	0.348	0.987	0.315
Compound_24	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_25	CCCCCCCCCCCC[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_26	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_27	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_28	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_29	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_30	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_31	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_32	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_33	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_34	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_35	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_36	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_37	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_38	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_39	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_40	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_41	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_42	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_43	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_44	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_45	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_46	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_47	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_48	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_49	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_50	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_51	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_52	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_53	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_54	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_55	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_56	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_57	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_58	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_59	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_60	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_61	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