Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C	0.919	0.673	0.919	0.525	0.616	0.963	0.984	0.686	0.877	0.971	0.847
Compound_2	Nc1ccc(cc1)Cc1ccc(cc1)N	0.772	0.728	0.927	0.517	0.468	0.949	0.999	0.849	0.862	0.988	0.966
Compound_3	Nc1ccc(cc1)Oc1ccc(cc1)N	0.801	0.79	0.952	0.695	0.737	0.969	0.99	0.983	0.943	0.971	0.99
Compound_4	c1ccc(cc1)Cc1ccccc1	0.877	0.58	0.763	0.532	0.23	0.41	0.996	0.938	0.904	0.998	0.824
Compound_5	C1CCC(CC1)NC1CCCCC1	0.101	0.175	0.054	0.32	0.064	0.282	0.002	0.04	0.427	0.903	0.049
Compound_6	c1ccc(cc1)Oc1ccccc1	0.946	0.752	0.922	0.59	0.5	0.511	0.996	0.771	0.969	0.993	0.921
Compound_7	CCCCCC/C(=C\c1ccccc1)/C=O	0.962	0.247	0.712	0.598	0.058	0.343	0.99	0.987	0.85	1.0	0.919
Compound_8	NC(=Nc1ccccc1)Nc1ccccc1	0.521	0.764	0.71	0.468	0.454	0.89	0.826	0.811	0.764	0.861	0.487
Compound_9	N#CC(C(=O)N)(Br)Br	0.339	0.139	0.063	0.385	0.659	0.207	0.67	0.643	0.579	0.694	0.801
Compound_10	CCNc1cccc(c1)C	0.413	0.219	0.936	0.478	0.033	0.051	0.037	0.146	0.691	0.916	0.342
Compound_11	Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl	0.942	0.659	0.792	0.674	0.881	0.543	0.993	0.966	0.293	0.997	0.944
Compound_12	COP(=O)(SC)N	0.691	0.099	0.051	0.274	0.407	0.189	0.484	0.012	0.697	0.211	0.582
Compound_13	N#Cc1ccc(cc1)C1CCCc2n1cnc2	0.436	0.627	0.446	0.685	0.294	0.577	0.001	0.282	0.856	0.162	0.751
Compound_14	OCCN(CCO)CCO	0.053	0.028	0.167	0.099	0.02	0.023	0.008	0.822	0.783	0.052	0.241
Compound_15	CC(=O)OC(COC(=O)C)COC(=O)C	0.827	0.007	0.282	0.672	0.131	0.057	0.948	0.098	0.857	0.527	0.906
Compound_16	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.79	0.592	0.982	0.754	0.859	0.708	0.981	0.803	0.422	0.83	0.963
Compound_17	CCCCC(COC(=O)C)CC	0.883	0.016	0.125	0.65	0.089	0.036	0.99	0.395	0.838	0.997	0.887
Compound_18	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.924	0.831	0.521	0.643	0.827	0.432	0.978	0.984	0.145	0.999	0.421
Compound_19	CCCCC(COC(=O)C=C)CC	0.99	0.013	0.178	0.753	0.701	0.356	0.996	0.977	0.933	1.0	0.93
Compound_20	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.737	0.003	0.147	0.692	0.066	0.065	0.992	0.357	0.288	0.997	0.915
Compound_21	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.871	0.003	0.147	0.692	0.079	0.061	0.997	0.357	0.154	0.997	0.915
Compound_22	O1CCN(CC1)SSN1CCOCC1	0.099	0.341	0.337	0.511	0.096	0.084	0.069	0.29	0.383	0.587	0.554
Compound_23	C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.765	0.673	0.909	0.703	0.227	0.655	0.981	0.987	0.427	0.472	0.268
Compound_24	CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.952	0.399	0.895	0.652	0.939	0.221	0.755	0.955	0.814	0.983	0.918
Compound_25	O=C(/C=C/c1ccccc1)OCc1ccccc1	0.874	0.747	0.82	0.721	0.476	0.826	0.999	0.982	0.263	0.927	0.919
Compound_26	CCCc1ccccc1	0.704	0.131	0.443	0.566	0.055	0.06	0.997	0.487	0.825	0.996	0.261
Compound_27	CCNc1ccccc1	0.631	0.206	0.912	0.469	0.08	0.064	0.023	0.15	0.659	0.944	0.415
Compound_28	OCCN1CCNCC1	0.008	0.087	0.012	0.133	0.004	0.001	-0.0	0.542	0.057	0.056	0.065
Compound_29	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_30	Cc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.287	0.162	0.019	0.25	0.006	0.097	0.001	0.076	0.426	0.018	0.097
Compound_31	CCCCc1ccc(cc1)N	0.767	0.273	0.675	0.531	0.18	0.669	0.998	0.604	0.959	0.978	0.383
Compound_32	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.822	0.226	0.418	0.578	0.093	0.098	0.985	0.19	0.401	0.541	0.56
Compound_33	CCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.963	0.978	0.723
Compound_34	CCCCCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.701	0.898	0.827	0.949	0.963	0.978	0.723
Compound_35	CCCc1ccc(cc1)OC	0.638	0.084	0.509	0.7	0.133	0.526	0.969	0.303	0.703	0.947	0.341
Compound_36	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.863	0.523	0.851	0.607	0.093	0.098	0.991	0.993	0.459	0.995	0.949
Compound_37	OC/C=C/c1ccccc1	0.801	0.134	0.355	0.646	0.073	0.302	0.975	0.739	0.683	0.242	0.577
Compound_38	CCCCCC1CCC(=O)O1	0.859	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.295	0.998	0.655
Compound_39	C(Oc1ccccc1)COc1ccccc1	0.381	0.592	0.833	0.68	0.654	0.531	0.996	0.78	0.848	0.89	0.823
Compound_40	CCCCCCCC1CCC(=O)O1	0.87	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.363	0.998	0.655