Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	c1csc(c1)SSc1cccs1	0.882	0.717	0.476	0.46	0.677	0.673	0.999	0.173	0.978	0.999	0.815
Compound_2	c1csc(c1)c1ccc(s1)c1cccs1	0.953	0.795	0.864	0.52	0.672	0.713	0.998	0.375	0.892	0.986	0.918
Compound_3	O=C(c1cccs1)Nc1ncc(s1)N(=O)=O	0.44	0.387	0.881	0.505	0.276	0.693	0.04	0.989	0.49	0.5	0.152
Compound_4	Fc1ccc(c(c1)Br)C(=O)NS(=O)(=O)/C=C/c1cccs1	0.763	0.592	0.745	0.526	0.416	0.898	0.983	0.829	0.95	0.961	0.918
Compound_5	c1ccco1	0.735	0.231	0.596	0.492	0.048	0.19	0.993	0.046	0.922	0.997	0.805
Compound_6	SCc1ccco1	0.522	0.209	0.098	0.452	0.076	0.517	0.958	0.854	0.498	0.948	0.939
Compound_7	c1coc(c1)CNc1ncnc2c1[nH]cn2	0.204	0.578	0.856	0.39	0.484	0.669	0.027	0.37	0.302	0.135	0.66
Compound_8	O=c1cc[nH]cc1	0.399	0.253	0.287	0.472	0.354	0.117	0.438	0.029	0.815	0.26	0.602
Compound_9	c1ccc[nH]1	0.538	0.286	0.583	0.484	0.169	0.604	0.004	0.409	0.972	0.955	0.712
Compound_10	N#Cc1ccncc1	0.693	0.255	0.474	0.591	0.082	0.083	0.013	0.032	0.924	0.924	0.795
Compound_11	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_12	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.988	0.649	0.974	0.697	0.843	0.737	0.998	0.968	0.931	1.0	0.952
Compound_13	c1ccc2c(c1)cccc2	0.988	0.649	0.974	0.594	0.163	0.106	0.995	0.968	0.994	1.0	0.952
Compound_14	c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4	0.988	0.649	0.974	0.697	0.937	0.898	0.998	0.968	0.95	1.0	0.952
Compound_15	O=C1OC(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.825	0.509	0.994	0.546	0.116	0.464	0.983	0.127	0.758	0.097	0.888
Compound_16	c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2	0.988	0.649	0.977	0.622	0.937	0.898	0.998	0.924	0.93	1.0	0.952
Compound_17	c1cc2ccc3c4c2c(c1)ccc4ccc3	0.988	0.649	0.977	0.594	0.843	0.737	0.998	0.924	0.972	1.0	0.952
Compound_18	Oc1ccc2c3c1ccc1c3c(cc2)ccc1	0.953	0.831	0.938	0.695	0.979	0.985	0.804	0.955	0.837	0.991	0.949
Compound_19	O=C1C(=O)c2c3c1cccc3ccc2	0.788	0.75	0.948	0.586	0.084	0.776	0.668	0.869	0.43	0.64	0.979
Compound_20	c1ccc2c(n1)c1ncccc1cc2	0.782	0.724	0.863	0.513	0.148	0.898	0.953	0.515	0.967	0.956	0.989
Compound_21	Oc1cccc2c1cccc2O	0.961	0.826	0.932	0.69	0.604	0.12	0.974	0.963	0.912	0.954	0.975
Compound_22	Nc1cccc2c1cccc2N	0.978	0.81	0.99	0.719	0.203	0.299	0.988	0.995	0.887	0.997	0.993
Compound_23	Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O	0.943	0.651	0.969	0.649	0.905	0.898	0.984	0.979	0.711	0.99	0.838
Compound_24	Nc1nc2c(s1)cc(cc2)OC(F)(F)F	0.952	0.76	0.99	0.8	0.409	0.898	0.043	0.899	0.746	0.517	0.918
Compound_25	Brc1ccc(c(c1)F)Cn1c(=O)c2ccc(cc2n(c1=O)CC(=O)O)Cl	0.574	0.507	0.404	0.452	0.272	0.637	0.988	0.363	0.387	0.622	0.573
Compound_26	c1ccc2c(c1)c1cc3cccc4c3c3c1c2ccc3cc4	0.988	0.725	0.982	0.798	0.958	0.948	0.993	0.985	0.969	0.999	0.935
Compound_27	c1ccc2c(c1)c1cccc3c1c2ccc3	0.988	0.725	0.98	0.825	0.838	0.944	0.992	0.992	0.98	0.999	0.935
Compound_28	O=C1c2ncccc2c2c(C1=O)nccc2	0.214	0.816	0.44	0.73	0.056	0.898	0.005	0.979	0.391	0.422	0.986
Compound_29	O=C1C(=CC(=O)c2c1nccc2)NCCc1cc(Br)c(c(c1)Br)O	0.387	0.608	0.362	0.397	0.689	0.697	0.017	0.767	0.352	0.067	0.707
Compound_30	Oc1cccc2c1nccc2	0.69	0.785	0.662	0.579	0.23	0.456	0.129	0.923	0.451	0.996	0.966
Compound_31	O=N(=O)c1cccc2c1c(ccc2)N(=O)=O	0.995	0.766	0.987	0.528	0.343	0.898	0.971	0.999	0.811	1.0	0.955
Compound_32	Clc1cc(Cl)c2c(c1O)nccc2	0.853	0.666	0.818	0.274	0.584	0.616	0.133	0.561	0.95	0.998	0.998
Compound_33	c1cccnc1	0.529	0.185	0.574	0.509	0.017	0.083	0.224	0.035	0.972	0.928	0.422
Compound_34	S=C(N(Cc1ccccn1)Cc1ccccn1)N/N=C/c1ccccn1	0.393	0.573	0.846	0.456	0.449	0.667	0.063	0.826	0.574	0.325	0.231
Compound_35	Clc1ccccn1	0.61	0.199	0.439	0.545	0.058	0.107	0.37	0.704	0.983	0.906	0.082
Compound_36	OCCc1ccccn1	0.035	0.183	0.737	0.406	0.021	0.157	0.024	0.777	0.36	0.006	0.372
Compound_37	N#Cc1ccccn1	0.604	0.295	0.544	0.561	0.181	0.152	0.067	0.93	0.942	0.849	0.885
Compound_38	Brc1ccccn1	0.703	0.189	0.439	0.545	0.382	0.353	0.32	0.704	0.994	0.896	0.166
Compound_39	c1ccccc1	0.967	0.164	0.9	0.549	0.035	0.021	0.999	0.719	0.972	0.998	0.524
Compound_40	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.94	1.0	0.952
Compound_41	c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3	0.988	0.725	0.98	0.815	0.905	0.898	0.993	0.992	0.977	0.999	0.935
Compound_42	c1ccc2c(c1)cncc2	0.83	0.634	0.903	0.571	0.026	0.277	0.007	0.331	0.971	0.984	0.895
Compound_43	c1ccc2c(c1)cccc2	0.988	0.649	0.974	0.594	0.163	0.106	0.995	0.968	0.994	1.0	0.952
Compound_44	c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2	0.988	0.725	0.98	0.808	0.905	0.898	0.993	0.992	0.973	0.999	0.935
Compound_45	c1ccc2c(c1)cc1c(c2)cccc1	0.988	0.649	0.974	0.679	0.566	0.646	0.999	0.968	0.966	1.0	0.952
Compound_46	Nc1ccc2c(c1)cc1c(c2)cccc1	0.952	0.838	0.989	0.772	0.795	0.945	1.0	0.994	0.95	0.999	0.96
Compound_47	Clc1ccc2c(c1)cc1c(c2)cccc1	0.98	0.571	0.951	0.608	0.843	0.811	0.997	0.882	0.974	0.999	0.918
Compound_48	N=C1N=C(c2c1cc1ccccc1c2)N	0.847	0.749	0.861	0.578	0.037	0.524	0.249	0.988	0.934	0.874	0.882
Compound_49	OS(=O)(=O)c1ccc2c(c1)cccc2	0.909	0.481	0.98	0.484	0.854	0.494	0.977	0.906	0.494	0.915	0.129
Compound_50	Oc1ccc2c(c1)cccc2	0.953	0.831	0.958	0.617	0.812	0.609	0.999	0.893	0.899	0.991	0.949
Compound_51	Nc1ccc2c(c1)cccc2	0.952	0.838	0.989	0.729	0.359	0.706	0.997	0.994	0.951	0.999	0.96
Compound_52	OC(=O)c1cc2ccccc2cc1O	0.423	0.78	0.769	0.383	0.711	0.969	0.961	0.954	0.675	0.885	0.513
Compound_53	O=C1C=CC(=O)c2c1cccc2	0.726	0.523	0.947	0.615	0.058	0.534	0.33	0.893	0.909	0.981	0.991
Compound_54	c1ccc2c(c1)Sc1c(O2)cccc1	0.473	0.672	0.908	0.57	0.648	0.45	0.891	0.526	0.834	0.998	0.781
Compound_55	c1ccc2c(c1)Sc1c(N2)cccc1	0.477	0.653	0.536	0.474	0.913	0.139	0.917	0.076	0.795	0.978	0.635
Compound_56	Clc1ccc2c(c1)Nc1c(S2)cccc1	0.466	0.585	0.561	0.547	0.81	0.701	0.987	0.457	0.882	0.989	0.666
Compound_57	S=c1sc2c([nH]1)cccc2	0.683	0.492	0.896	0.481	0.524	0.357	0.97	0.347	0.692	0.993	0.782
Compound_58	Clc1ccc2c(c1)C(=O)Nc1c(O2)cccc1	0.737	0.634	0.984	0.696	0.407	0.515	0.851	0.969	0.365	0.988	0.946
Compound_59	c1scc(n1)c1nc2c([nH]1)cccc2	0.449	0.77	0.894	0.487	0.424	0.712	0.291	0.121	0.613	0.705	0.588
Compound_60	c1coc(c1)c1nc2c([nH]1)cccc2	0.315	0.661	0.894	0.487	0.466	0.614	0.686	0.121	0.457	0.551	0.842
Compound_61	Nc1nc2c(s1)cccc2	0.896	0.786	0.98	0.73	0.186	0.847	0.297	0.313	0.975	0.869	0.202
Compound_62	Brc1nc2c(s1)cccc2	0.913	0.647	0.989	0.612	0.5	0.814	0.991	0.801	1.002	0.991	0.416
Compound_63	[S-]c1nc2c(s1)cccc2	0.979	0.65	0.979	0.551	0.525	0.653	0.99	0.752	0.927	0.993	0.794
Compound_64	Clc1nc2ccccc2nc1Cl	0.821	0.635	0.883	0.57	0.645	0.276	0.972	0.857	0.728	0.977	0.952
Compound_65	O=c1c2ccccc2c2c3c1cccc3[nH]n2	0.71	0.78	0.998	0.735	0.852	0.73	0.989	0.928	0.721	0.503	0.946
Compound_66	c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3	0.988	0.649	0.977	0.622	0.937	0.898	0.998	0.924	0.931	1.0	0.952
Compound_67	c1ccc2c(c1)c1cccc3c1c2ccc3	0.988	0.725	0.98	0.825	0.838	0.944	0.992	0.992	0.98	0.999	0.935
Compound_68	c1ccc2c(c1)sc1c2cccc1	0.951	0.745	0.976	0.623	0.509	0.381	0.996	0.33	0.981	0.999	0.087
Compound_69	c1ccc2c(c1)oc1c2cccc1	0.659	0.68	0.976	0.623	0.082	0.702	0.984	0.33	0.648	0.999	0.934
Compound_70	c1ccc2c(c1)[nH]c1c2cccc1	0.92	0.703	0.971	0.513	0.8	0.743	0.994	0.707	0.97	0.988	0.938
Compound_71	Oc1ccc(cc1)C1(c2ccc(cc2)O)c2ccccc2c2c1cccc2	0.957	0.82	0.921	0.805	1.003	0.997	0.763	0.987	0.685	0.936	0.987
Compound_72	Nc1ccc2c3c1cccc3c1c2cccc1	0.952	0.839	0.991	0.894	0.919	0.981	0.999	0.994	0.881	0.999	0.946
Compound_73	c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3	0.988	0.725	0.98	0.815	0.905	0.898	0.993	0.992	0.977	0.999	0.935
Compound_74	c1ccc2c(c1)[nH]cc2	0.694	0.557	0.971	0.517	0.231	0.666	0.018	0.814	0.971	0.979	0.867
Compound_75	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.988	0.649	0.974	0.697	0.843	0.737	0.998	0.968	0.931	1.0	0.952
Compound_76	NC(=O)N1c2ccccc2C=Cc2c1cccc2	0.566	0.542	0.099	0.289	0.684	0.648	0.992	0.007	0.845	0.593	0.087
Compound_77	c1ccc2c(c1)c1ccccc1cc2	0.988	0.649	0.974	0.622	0.566	0.646	0.999	0.968	0.969	1.0	0.952
Compound_78	c1ccc2c(c1)ccc1c2cccn1	0.863	0.598	0.88	0.558	0.402	0.098	0.959	0.178	0.965	0.987	0.941
Compound_79	Oc1cccc2c1cccc2	0.953	0.831	0.932	0.695	0.54	0.163	0.982	0.977	0.914	0.991	0.949
Compound_80	Nc1cccc2c1cccc2	0.952	0.838	0.99	0.719	0.23	0.318	0.993	0.995	0.869	0.999	0.96
Compound_81	O=N(=O)c1cccc2c1cccc2	0.998	0.648	0.989	0.534	0.376	0.597	0.998	0.999	0.8	1.0	0.967
Compound_82	N#Cc1c2ccccc2cc2c1cccc2	0.992	0.681	0.939	0.671	0.905	0.343	0.998	0.987	0.89	0.998	0.991
Compound_83	Brc1c2ccccc2cc2c1cccc2	0.997	0.567	0.973	0.686	0.541	0.898	0.999	0.974	0.957	1.0	0.918
Compound_84	O=N(=O)c1c2ccccc2cc2c1cccc2	1.002	0.648	0.989	0.634	0.763	0.898	0.999	0.998	0.782	1.0	0.967
Compound_85	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.94	1.0	0.952
Compound_86	Oc1cc2ccccc2c2c1cccc2	0.953	0.831	0.946	0.657	0.92	0.988	0.888	0.986	0.866	0.991	0.949
Compound_87	N#Cc1cc2ccccc2c2c1cccc2	0.993	0.681	0.961	0.671	0.905	0.343	0.998	0.991	0.922	0.998	0.991
Compound_88	Brc1cc2ccccc2c2c1cccc2	0.996	0.567	0.979	0.657	0.611	0.716	0.999	0.944	0.989	1.0	0.918
Compound_89	O=N(=O)c1cc(cc2c1cccc2)N(=O)=O	0.996	0.766	0.991	0.554	0.455	0.552	0.987	0.997	0.731	1.0	0.955
Compound_90	Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O	0.15	0.582	0.423	0.653	0.701	0.67	0.16	0.559	0.66	0.985	0.415
Compound_91	O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O	0.515	0.28	0.903	0.623	0.865	0.491	0.992	0.302	0.405	0.953	0.876
Compound_92	O=c1oc(=O)c2c([nH]1)cccc2	0.476	0.511	0.896	0.485	0.443	0.306	0.842	0.363	0.819	0.142	0.447
Compound_93	O=c1[nH]sc2c1cccc2	0.132	0.725	0.888	0.474	0.014	0.264	0.902	0.286	0.774	0.985	0.699
Compound_94	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.721	0.642	0.635	0.635	0.482	0.898	0.987	0.994	0.219	0.969	0.918
Compound_95	O=c1c2ccccc2oc2c1cccc2	0.882	0.901	0.989	0.618	0.308	0.898	0.92	0.915	0.873	0.691	0.949
Compound_96	Oc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.948	0.77	0.939	0.792	0.96	0.992	0.998	0.992	0.698	0.593	0.982
Compound_97	Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.82	0.677	0.953	0.715	0.5	0.964	0.995	0.926	0.819	0.817	0.994
Compound_98	Clc1cccc2c1C(=O)c1ccccc1C2=O	0.847	0.693	0.883	0.685	0.743	0.827	0.961	0.967	0.622	0.939	1.002
Compound_99	Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.94	0.811	0.947	0.796	0.85	0.918	0.95	0.992	0.665	0.212	0.991
Compound_100	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.77	0.491	0.845	0.702	0.506	0.898	0.825	0.982	0.899	0.994	0.996