Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	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_2	CC(COC(=O)C(=C)C)C	0.952	0.022	0.086	0.632	0.412	0.045	0.996	0.846	0.662	0.993	0.944
Compound_3	OCC1CCCO1	0.614	0.186	0.021	0.478	0.092	0.191	0.786	0.24	0.212	0.337	0.348
Compound_4	CC1=CCC(CC1)C(O)(C)C	0.876	0.184	0.27	0.525	0.183	0.03	0.067	0.785	0.436	0.772	0.793
Compound_5	ClC(=O)c1ccccc1	0.951	0.144	0.789	0.694	0.034	0.087	0.999	0.977	0.889	0.998	0.83
Compound_6	NC(=O)c1cccnc1	0.093	0.112	0.058	0.228	0.004	0.017	0.0	-0.0	0.08	0.054	0.065
Compound_7	NC(=O)c1cnccn1	0.053	0.173	0.11	0.237	0.11	0.035	0.001	0.074	0.755	0.274	0.166
Compound_8	CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC	0.072	0.243	0.854	0.204	0.106	0.098	0.005	0.067	0.281	0.003	0.241
Compound_9	CC(=C)C1CC=C(C(C1)O)C	0.77	0.371	0.08	0.645	0.176	0.086	0.061	0.974	0.541	0.876	0.617
Compound_10	CCCC(C(=O)O)CCC	0.607	0.011	0.065	0.187	0.084	0.006	0.919	0.116	0.244	0.805	0.281
Compound_11	COC(=O)c1ccc(cc1)O	0.815	0.116	0.841	0.615	0.82	0.866	0.837	0.008	0.964	0.025	0.055
Compound_12	CCOC(=O)CCCCCCCCC(c1ccc(cc1)I)C	0.871	0.141	0.674	0.639	0.375	0.135	0.95	0.745	0.143	0.995	0.647
Compound_13	Cc1ccc(cc1)C(C)C	0.758	0.106	0.727	0.535	0.058	0.04	0.901	0.426	0.784	0.996	0.207
Compound_14	Oc1ccc(cc1)C(=O)O	0.571	0.149	0.271	0.474	0.542	0.664	0.905	0.234	0.467	0.022	0.096
Compound_15	NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N	0.948	0.556	0.363	0.68	0.48	0.956	0.149	0.952	0.608	0.771	0.336
Compound_16	CCc1ccccc1	0.785	0.136	0.672	0.583	0.055	0.06	0.997	0.654	0.89	0.997	0.238
Compound_17	C=Cc1ccccc1	0.97	0.287	0.612	0.583	0.051	0.076	0.998	0.976	0.917	0.997	0.419
Compound_18	NCc1ccccc1	0.487	0.124	0.493	0.491	0.004	0.122	0.016	0.051	0.706	0.342	0.075
Compound_19	OCc1ccccc1	0.526	0.094	0.656	0.525	0.022	0.06	0.963	0.569	0.581	0.221	0.46
Compound_20	O=Cc1ccccc1	0.922	0.151	0.403	0.538	0.014	0.201	0.998	0.121	0.928	0.989	0.645
Compound_21	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.093	0.344	0.081	0.31	0.199	0.434	0.001	0.17	0.197	0.285	0.305
Compound_22	CNC(Cc1ccccc1)(C)C	0.028	0.106	0.107	0.297	0.004	0.096	0.005	0.015	0.27	0.053	0.032
Compound_23	C1N2CN3CN1CN(C2)C3	0.471	0.357	0.117	0.262	0.249	0.098	0.002	0.958	0.831	0.991	0.188
Compound_24	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl	0.943	0.658	0.994	0.784	0.597	0.898	0.981	0.963	0.533	0.96	0.918
Compound_25	OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C	0.042	0.469	0.006	0.038	0.019	0.024	0.001	0.008	0.073	0.003	0.074
Compound_26	CC(Nc1ccc(cc1)Nc1ccccc1)C	0.751	0.495	0.891	0.438	0.317	0.716	0.023	0.955	0.422	0.922	0.966
Compound_27	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_28	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_29	CCCCCC(=Cc1ccccc1)CO	0.902	0.28	0.445	0.544	0.061	0.138	0.433	0.828	0.474	0.688	0.72
Compound_30	CCCCCCC(=Cc1ccccc1)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_31	O=C(Cc1ccccc1)OCC=C(CCC=C(C)C)C	0.614	0.218	0.844	0.568	0.138	0.142	0.997	0.975	0.474	0.997	0.756
Compound_32	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_33	Oc1ccc(cc1)OCc1ccccc1	0.708	0.77	0.709	0.738	0.862	0.898	0.99	0.356	0.95	0.141	0.918
Compound_34	COC(=O)C=Cc1ccccc1	0.977	0.231	0.802	0.757	0.151	0.261	0.996	0.949	0.578	0.963	0.262
Compound_35	CCOC(=O)C=Cc1ccccc1	0.973	0.228	0.93	0.816	0.217	0.425	0.997	0.937	0.414	0.975	0.598
Compound_36	CC(CC(=O)OCc1ccccc1)C	0.395	0.125	0.906	0.561	0.08	0.038	0.973	0.979	0.376	0.799	0.254
Compound_37	O=C(C=Cc1ccccc1)OCc1ccccc1	0.874	0.747	0.82	0.721	0.476	0.826	0.999	0.982	0.263	0.927	0.919
Compound_38	O=C(C=Cc1ccccc1)OCCc1ccccc1	0.882	0.793	0.794	0.834	0.71	0.947	0.999	0.95	0.95	0.79	0.846
Compound_39	CC(=O)OCC=Cc1ccccc1	0.924	0.246	0.861	0.744	0.15	0.188	0.994	0.934	0.957	0.967	0.466
Compound_40	CCC(=O)OCC=Cc1ccccc1	0.908	0.199	0.76	0.746	0.127	0.138	0.994	0.995	0.268	0.994	0.756
Compound_41	CC(C(=O)OCC=Cc1ccccc1)C	0.902	0.162	0.751	0.757	0.179	0.172	0.981	0.887	0.216	0.953	0.434
Compound_42	CCCC(=O)OCC=Cc1ccccc1	0.904	0.137	0.74	0.742	0.143	0.122	0.99	0.977	0.547	1.0	0.687
Compound_43	BrC=Cc1ccccc1	0.962	0.232	0.706	0.668	0.098	0.147	0.999	0.975	0.973	0.998	0.7
Compound_44	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_45	O=C(C(C)C)Oc1ccc(cc1)C	0.527	0.128	0.685	0.652	0.368	0.096	0.467	0.2	0.139	0.837	0.087
Compound_46	O=CCc1ccc(cc1)C	0.526	0.111	0.698	0.532	0.03	0.245	0.998	0.607	0.772	0.94	0.39
Compound_47	CCOCCOC(=O)C=Cc1ccc(cc1)OC	0.908	0.269	0.893	0.864	0.49	0.73	0.957	0.305	0.613	0.983	0.64
Compound_48	OCC(COc1ccc(cc1)Cl)O	0.101	0.132	0.443	0.509	0.236	0.17	0.04	0.028	0.086	0.33	0.205
Compound_49	OCC=Cc1ccccc1	0.801	0.134	0.355	0.646	0.073	0.302	0.975	0.739	0.683	0.242	0.577
Compound_50	O=Cc1ccc(cc1)C	0.894	0.149	0.452	0.533	0.027	0.432	0.998	0.117	0.853	0.988	0.391
Compound_51	CCc1ccc(nc1)C	0.293	0.249	0.686	0.567	0.028	0.406	0.001	0.568	0.14	0.461	0.303
Compound_52	COc1ccc(cc1)C	0.806	0.091	0.855	0.699	0.093	0.493	0.83	0.009	0.795	0.935	0.217
Compound_53	NCCc1ccn[nH]1	0.099	0.334	0.174	0.351	0.586	0.604	0.009	0.009	0.468	0.003	0.381
Compound_54	CCOC(=O)CC	0.746	0.024	0.552	0.7	0.055	0.017	0.997	0.759	0.166	0.937	0.924
Compound_55	COC(=O)CC(=O)C	0.693	0.012	0.261	0.521	0.057	0.027	0.993	0.957	0.49	0.053	0.648
Compound_56	CCOC(=O)CC(=O)OCC	0.817	0.047	0.526	0.652	0.081	0.056	0.878	0.833	0.478	0.881	0.918
Compound_57	Cc1ccc(c(c1)C)O	0.671	0.093	0.937	0.661	0.202	0.79	0.09	0.953	0.782	0.948	0.343
Compound_58	CC(=CCOC(=O)C)CCC=C(C)C	0.836	0.042	0.711	0.574	0.415	0.059	0.985	0.984	0.91	0.999	0.935
Compound_59	CCC(=O)OCC=C(CCC=C(C)C)C	0.788	0.031	0.733	0.592	0.369	0.039	0.978	0.983	0.224	1.0	0.971
Compound_60	CCC(=O)OCC=C(CCC=C(C)C)C	0.788	0.031	0.733	0.592	0.369	0.039	0.978	0.983	0.224	1.0	0.971
Compound_61	O=C1CCCCCCCCCCCC(=O)OCCO1	0.95	0.118	0.3	0.703	0.139	0.098	0.968	0.751	0.219	0.988	0.857
Compound_62	O=C1CCCCCCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.099	0.065	0.989	0.81	0.189	0.978	0.752
Compound_63	OCCC(CCC=C(C)C)C	0.875	0.145	0.187	0.535	0.093	0.027	0.28	0.369	0.138	0.247	0.846
Compound_64	OCC=C(CCC=C(C)C)C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_65	OCC=C(CCC=C(C)C)C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_66	CCCC(=O)OCC=C(CCC=C(C)C)C	0.774	0.031	0.711	0.591	0.317	0.025	0.98	0.969	0.44	1.0	0.971
Compound_67	NCC(=O)CCC(=O)O	0.013	0.088	0.025	0.089	0.031	0.017	0.001	0.005	0.185	0.001	0.017
Compound_68	COC(=O)CCC(=O)OC	0.789	0.005	0.274	0.558	0.042	0.018	0.985	0.964	0.617	0.129	0.778
Compound_69	ClCC1CO1	0.916	0.14	0.441	0.642	0.198	0.106	0.997	0.996	0.918	0.999	0.991
Compound_70	CC(CC(O)(C)C)O	0.694	0.015	0.054	0.504	0.024	0.015	0.507	0.096	0.203	0.435	0.488
Compound_71	O=CCC(CCCC(O)(C)C)C	0.795	0.076	0.044	0.441	0.112	0.212	0.919	0.464	0.178	0.737	0.378
Compound_72	OCCN(C)C	0.077	0.018	0.015	0.124	0.01	0.009	0.008	0.702	0.054	0.005	0.094
Compound_73	CC(CC(=O)C)C	0.884	0.052	0.628	0.496	0.014	0.003	0.895	0.634	0.532	0.978	0.794
Compound_74	CC(CC(O)C)C	0.698	0.075	0.301	0.48	0.02	0.01	0.909	0.112	0.157	0.555	0.405
Compound_75	CC(=C)OC(=O)C	0.793	0.163	0.348	0.557	0.161	0.004	0.98	0.985	0.971	0.998	0.879
Compound_76	CC(=O)OC(=O)C	0.748	0.047	0.313	0.521	0.031	0.005	0.937	0.95	0.957	0.228	0.786
Compound_77	Cc1cccc(c1)O	0.824	0.12	0.884	0.659	0.178	0.017	0.473	0.918	0.524	0.682	0.087
Compound_78	Oc1cccc(c1)O	0.948	0.214	0.863	0.611	0.373	0.059	0.938	0.184	0.558	0.123	0.236
Compound_79	COC(=O)CC(=O)OC	0.818	0.009	0.274	0.54	0.059	0.026	0.859	0.993	0.622	0.049	0.763
Compound_80	OC1CCCCC1	0.767	0.087	0.061	0.505	0.037	0.066	0.877	0.363	0.362	0.816	0.055
Compound_81	O=C1CCCCC1	0.913	0.136	0.32	0.482	0.028	0.032	0.925	0.683	0.436	0.999	0.568
Compound_82	Oc1ccccc1	0.919	0.132	0.863	0.611	0.18	0.041	0.963	0.173	0.915	0.632	0.276
Compound_83	OC(=O)CCC(=O)O	0.35	0.024	0.047	0.193	0.067	0.02	0.302	0.199	0.557	0.002	0.105
Compound_84	CC(CCON=O)C	0.739	0.085	0.74	0.473	0.027	0.03	0.977	0.043	0.058	0.215	0.768
Compound_85	CC(=O)CCC=C(C)C	0.897	0.031	0.416	0.598	0.058	0.002	0.833	0.95	0.605	0.991	0.947
Compound_86	CCCCCC#CC(=O)OC	0.817	0.101	0.485	0.582	0.108	0.827	0.998	0.984	0.746	0.911	0.648
Compound_87	CCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_88	CCC(C#C)(C=CCl)O	0.83	0.207	0.635	0.578	0.545	0.242	0.8	0.781	0.668	0.862	0.858
Compound_89	CCC(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CO	0.573	0.557	0.14	0.18	0.264	0.661	0.519	0.046	0.062	0.11	0.237
Compound_90	COC(=O)C(c1ccccc1)C1CCCCN1	0.037	0.33	0.022	0.191	0.003	0.006	0.0	0.006	0.119	0.001	0.012
Compound_91	CN(CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)C	0.053	0.404	0.013	0.26	0.69	0.314	0.545	0.061	0.398	0.007	0.832
Compound_92	NC(=NCCc1ccccc1)N=C(N)N	0.136	0.302	0.591	0.509	0.012	0.348	0.014	0.122	0.542	0.012	0.048
Compound_93	C#CC(O)(C)C	0.756	0.148	0.132	0.449	0.048	0.098	0.722	0.15	0.548	0.639	0.687
Compound_94	CCC1(C(=O)NC(=O)N(C1=O)C)c1ccccc1	0.071	0.556	0.127	0.258	0.028	0.056	0.001	0.043	0.233	0.001	0.101
Compound_95	CCC(C1(CC=C)C(=O)NC(=O)NC1=O)C	0.213	0.387	0.088	0.375	0.191	0.067	0.001	0.946	0.293	0.288	0.227
Compound_96	CCC1(C)OC(=O)N(C1=O)C	0.089	0.379	0.019	0.525	0.009	0.045	0.136	0.709	0.205	0.182	0.247
Compound_97	C=CC(OC(=O)C)(CCC=C(C)C)C	0.923	0.022	0.286	0.669	0.478	0.057	0.785	1.0	0.822	0.989	0.871