Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCC(=O)N(CC(=O)[O-])C	0.643	0.142	0.068	0.349	0.043	0.024	0.038	0.329	0.233	0.423	0.464
Compound_2	Nc1ccc(cc1)N(=O)=O	0.977	0.155	0.972	0.604	0.058	0.593	0.981	0.992	0.69	0.981	0.702
Compound_3	CN(CCc1ccc(cc1)O)C	0.116	0.245	0.056	0.311	0.07	0.693	0.003	0.026	0.376	0.008	0.007
Compound_4	OC(=O)C(Cc1ccc(cc1)O)N	0.113	0.133	0.018	0.191	0.126	0.206	0.005	0.01	0.134	0.0	0.001
Compound_5	Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C	0.952	0.907	0.068	0.373	0.984	0.996	0.006	0.065	0.045	0.998	0.934
Compound_6	C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12	0.986	1.0	0.058	0.76	0.924	0.898	0.037	0.967	0.735	0.997	0.328
Compound_7	Nc1ccc(c(c1)O)C	0.494	0.398	0.955	0.508	0.56	0.098	0.984	0.944	0.607	0.579	0.913
Compound_8	CCCOC(=O)c1ccc(cc1)O	0.537	0.168	0.945	0.728	0.872	0.915	0.829	0.061	0.661	0.015	0.12
Compound_9	O=C1CCCCCCCCCCCN1	0.291	0.191	0.044	0.251	0.009	0.071	0.008	0.111	0.404	0.067	0.443
Compound_10	Nc1ccc(c(c1)C(=O)O)O	0.068	0.424	0.217	0.384	0.301	0.175	0.053	0.034	0.749	0.016	0.388
Compound_11	Oc1ncnc2c1c[nH]n2	0.139	0.521	0.993	0.492	0.551	0.654	0.001	0.81	0.86	0.231	0.523
Compound_12	OS(=O)(=O)c1ccc2c(c1)[nH]c(n2)c1ccccc1	0.465	0.456	0.912	0.527	0.659	0.661	0.193	0.184	0.374	0.095	0.308
Compound_13	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.839	0.142	0.097	0.287	0.2	0.093	0.982	0.017	0.525	0.765	0.763
Compound_14	O=c1cc(n(n1c1ccccc1)C)C	0.053	0.293	0.061	0.282	0.138	0.196	0.031	0.017	0.672	0.027	0.16
Compound_15	Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C	0.952	0.924	0.01	0.409	0.99	0.947	0.13	0.213	0.056	0.988	0.731
Compound_16	O=C1CCC(N1C)c1cccnc1	0.065	0.192	0.049	0.423	0.003	0.143	0.003	0.001	0.369	0.001	0.137
Compound_17	CCOc1ccc(cc1)NC(=O)C	0.175	0.334	0.669	0.527	0.389	0.499	0.072	0.018	0.356	0.046	0.262
Compound_18	O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C	0.983	1.0	0.114	0.814	0.938	0.904	0.01	0.995	0.049	0.99	0.128
Compound_19	CC(=O)Nc1cccc(c1)O	0.611	0.322	0.771	0.466	0.491	0.04	0.612	0.524	0.346	0.048	0.339
Compound_20	COC(=O)c1ccccc1C(=O)OC	0.923	0.081	0.679	0.51	0.036	0.021	0.994	0.006	0.731	0.218	0.229
Compound_21	C=CCc1ccc(c(c1)OC)O	0.855	0.313	0.839	0.723	0.484	0.075	0.966	0.986	0.17	0.908	0.257
Compound_22	OC(=O)C(Cc1c[nH]c2c1cccc2)N	0.138	0.389	0.426	0.236	0.256	0.597	0.125	0.301	0.053	0.002	0.132
Compound_23	Oc1ccc(cc1)S(=O)(=O)O	0.724	0.313	0.914	0.453	0.395	0.399	0.636	0.061	0.394	0.323	0.087
Compound_24	Cc1cccc(c1)N	0.793	0.196	0.954	0.556	0.031	0.066	0.98	0.938	0.851	0.976	0.305
Compound_25	CC(=O)Nc1ccccc1	0.758	0.323	0.779	0.571	0.065	0.098	0.944	0.487	0.796	0.914	0.39
Compound_26	O=C(c1ccccc1)C1CCCCC1	0.944	0.264	0.382	0.531	0.133	0.683	0.887	0.186	0.645	0.999	0.77
Compound_27	OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C	0.961	1.0	0.005	0.967	0.572	0.884	0.002	0.011	0.037	0.017	0.056
Compound_28	O=C1CC(=NN1c1ccccc1)C	0.743	0.291	0.821	0.531	0.068	0.162	0.883	0.039	0.399	0.01	0.357
Compound_29	CC(CN(CC(O)C)CC(O)C)O	0.034	0.032	0.061	0.108	0.041	0.025	0.008	0.087	0.238	0.019	0.084
Compound_30	Cc1c[nH]c2c1cccc2	0.486	0.549	0.982	0.53	0.228	0.644	0.019	0.885	0.931	0.939	0.809
Compound_31	NC(C(=O)O)CC(C)C	0.007	0.026	0.132	0.141	0.011	0.0	0.001	0.004	0.039	0.001	0.015
Compound_32	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O	0.912	0.038	0.104	0.102	0.484	0.018	0.989	0.066	0.048	0.975	0.239
Compound_33	O=c1[nH]cnc2c1[nH]cn2	0.132	0.425	0.209	0.353	0.146	0.752	0.001	0.219	0.421	0.072	0.2
Compound_34	CCCCCCCCCCCCCC(=O)OC(C)C	0.902	0.021	0.232	0.583	0.093	0.071	0.999	0.133	0.586	0.999	0.833
Compound_35	O=C(c1ccccc1)NCC(=O)O	0.086	0.159	0.142	0.172	0.016	0.06	0.023	0.029	0.058	0.001	0.034
Compound_36	ClCCOP(=O)(OCCCl)OCCCl	0.938	0.305	0.64	0.646	0.092	0.061	0.895	0.996	0.797	0.978	0.81
Compound_37	COCC(N(c1c(C)cccc1CC)C(=O)CCl)C	0.952	0.789	0.561	0.785	0.917	0.098	0.993	0.991	0.511	0.315	0.759
Compound_38	NCC(c1ccc(cc1)O)O	0.042	0.11	0.009	0.168	0.083	0.185	0.002	0.006	0.241	0.0	0.045
Compound_39	Oc1cccc2c1nccc2	0.69	0.785	0.662	0.579	0.23	0.456	0.129	0.923	0.451	0.996	0.966
Compound_40	OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl	0.743	0.702	0.829	0.819	0.035	0.829	0.049	0.33	0.409	0.12	0.567
Compound_41	Nc1nc(NC2CC2)nc(n1)N	0.171	0.378	0.542	0.409	0.044	0.098	0.0	0.069	0.721	0.266	0.334
Compound_42	CC(=O)Nc1ccc(cc1)O	0.445	0.337	0.705	0.431	0.512	0.124	0.084	0.128	0.956	0.044	0.177
Compound_43	CCN(C(=O)c1cccnc1)CC	0.056	0.313	0.144	0.478	0.004	0.031	0.002	0.004	0.095	0.123	0.069
Compound_44	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.933	0.693	0.832	0.782	0.974	0.964	0.9	0.875	0.695	0.875	0.971
Compound_45	Cc1nc(C)c(nc1C)C	0.68	0.392	0.6	0.474	0.231	0.06	0.845	0.909	0.933	0.56	0.533