Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O=S1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_2	O=S1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_3	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_4	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_5	Cl[C@H]1C[C@@H]2[C@H]([C@@H]1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.694	0.68	0.905	0.453	0.986	0.533	0.229	0.999	0.601
Compound_6	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.952	0.482	0.547	0.504	0.94	0.97	0.953	0.952	0.48	0.998	0.737
Compound_7	ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl	0.784	0.384	0.581	0.448	0.96	0.94	0.953	0.965	0.416	1.0	0.879
Compound_8	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.94	0.645	0.645	0.653	0.906	0.974	0.961	0.974	0.471	0.998	0.849
Compound_9	Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl	0.836	0.578	0.719	0.651	0.94	0.942	0.961	0.978	0.49	0.999	0.922
Compound_10	Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl	0.818	0.437	0.1	0.528	0.94	0.922	0.952	0.848	0.095	1.0	0.928
Compound_11	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	0.94	0.519	0.089	0.564	0.905	0.963	0.952	0.742	0.058	0.998	0.825
Compound_12	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC	0.934	0.612	0.411	0.772	0.905	0.983	0.892	0.026	0.181	0.716	0.975
Compound_13	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_14	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_15	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_16	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_17	OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.783	0.644	0.851	0.657	0.857	0.897	0.449	0.306	0.234	0.97	0.993
Compound_18	O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C	0.423	0.856	0.18	0.713	0.905	0.898	0.992	0.069	0.555	0.346	0.375
Compound_19	Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl	0.633	0.714	0.709	0.736	0.698	0.898	0.975	0.986	0.477	0.998	0.461
Compound_20	Clc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Cl	0.952	0.636	0.843	0.699	0.637	0.762	0.148	0.516	0.35	0.914	0.287
Compound_21	CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O	0.187	0.543	0.865	0.644	0.864	0.639	0.81	0.052	0.2	0.25	0.918
Compound_22	COc1cc(Cl)c(cc1Cl)OC	0.875	0.179	0.822	0.695	0.6	0.458	0.955	0.077	0.715	0.965	0.641
Compound_23	Clc1cc(Cl)c(c(c1Cl)N(=O)=O)Cl	0.975	0.122	0.923	0.661	0.093	0.483	0.999	0.998	0.822	0.999	0.936
Compound_24	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl	0.98	0.733	0.558	0.663	0.87	0.647	0.973	0.885	0.244	0.999	0.794
Compound_25	CON(C(=O)Nc1ccc(cc1)Cl)C	0.927	0.332	0.975	0.892	0.557	0.769	0.852	0.397	0.703	0.834	0.618
Compound_26	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.953	0.088	0.848	0.601	0.369	0.692	0.999	0.911	0.863	0.999	0.279
Compound_27	Clc1c(N)c(Cl)c(c(c1Cl)Cl)Cl	0.883	0.218	0.974	0.587	0.093	0.609	0.997	0.188	0.709	0.992	0.399
Compound_28	O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C	0.434	0.484	0.048	0.321	0.079	0.857	0.002	0.109	0.431	0.138	0.183
Compound_29	CSc1nnc(c(=O)n1N)C(C)(C)C	0.281	0.502	0.383	0.452	0.227	0.227	0.094	0.079	0.436	0.049	0.22
Compound_30	CC(Nc1nc(N)nc(n1)Cl)C	0.224	0.175	0.701	0.464	0.026	0.063	0.0	0.09	0.574	0.037	0.025
Compound_31	CC(Nc1nc(NC(C)C)nc(n1)Cl)C	0.343	0.212	0.744	0.472	0.052	0.088	0.0	0.054	0.582	0.263	0.042
Compound_32	CCNc1nc(NC(C)C)nc(n1)OC	0.526	0.131	0.69	0.358	0.019	0.088	0.0	0.023	0.473	0.887	0.374
Compound_33	CSc1nc(NC(C)C)nc(n1)NC(C)C	0.882	0.149	0.734	0.435	0.057	0.098	0.0	0.008	0.518	0.599	0.514
Compound_34	CCNc1nc(NCC)nc(n1)Cl	0.361	0.224	0.703	0.452	0.02	0.022	0.0	0.086	0.783	0.115	0.069
Compound_35	CCNc1nc(Cl)nc(n1)NC(C)(C)C	0.346	0.274	0.716	0.395	0.025	0.075	0.0	0.11	0.495	0.541	0.072
Compound_36	CCNc1nc(NC(C)C)nc(n1)SC	0.882	0.09	0.69	0.358	0.057	0.098	0.0	0.023	0.458	0.835	0.515
Compound_37	CCNc1nc(NC(C)C)nc(n1)Cl	0.343	0.21	0.657	0.394	0.042	0.083	0.0	0.087	0.511	0.253	0.06
Compound_38	CNc1nc(NC(C)C)nc(n1)SC	0.858	0.149	0.734	0.394	0.048	0.095	0.001	0.009	0.498	0.599	0.514
Compound_39	CCSc1nc(NC(C)C)nc(n1)NC(C)C	0.855	0.153	0.73	0.422	0.074	0.102	0.0	0.005	0.423	0.459	0.58
Compound_40	CCNc1nc(SC)nc(n1)NC(C)(C)C	0.882	0.139	0.803	0.354	0.033	0.094	0.0	0.044	0.462	0.94	0.49
Compound_41	C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.661	0.646	0.438	0.634	0.905	0.213	0.786	0.998	0.35	0.999	0.973
Compound_42	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_43	ClC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.784	0.425	0.864	0.721	0.929	0.359	0.95	0.559	0.288	0.983	0.577
Compound_44	CCCCOCCOCCOCc1cc2OCOc2cc1CCC	0.726	0.402	0.717	0.595	0.381	0.287	0.991	0.079	0.462	1.0	0.911
Compound_45	CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1	0.559	0.582	0.491	0.65	0.616	0.658	0.057	0.952	0.539	0.168	0.535
Compound_46	O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1	0.857	0.451	0.773	0.804	0.901	0.399	0.976	0.922	0.367	0.983	0.911
Compound_47	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C	0.869	0.612	0.788	0.665	0.981	0.617	0.589	0.778	0.25	0.202	0.462
Compound_48	O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2	0.564	0.85	0.565	0.773	0.193	0.414	0.987	0.991	0.428	0.988	0.282
Compound_49	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F	0.938	0.541	0.766	0.781	0.976	0.429	0.948	0.241	0.397	0.429	0.607
Compound_50	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_51	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.822	0.519	0.565	0.629	0.896	0.2	0.93	0.822	0.366	0.319	0.386
Compound_52	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C	0.952	0.608	0.711	0.646	0.99	0.752	0.947	0.405	0.302	0.129	0.444
Compound_53	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_54	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F	0.715	0.538	0.965	0.66	0.96	0.57	0.776	0.967	0.348	0.521	0.695
Compound_55	CN1COCN(/C/1=N/N(=O)=O)Cc1cnc(s1)Cl	0.342	0.5	0.398	0.434	0.099	0.624	0.25	0.166	0.426	0.279	0.5
Compound_56	CN/C(=N\N(=O)=O)/NCc1cnc(s1)Cl	0.276	0.362	0.62	0.479	0.104	0.56	0.003	0.182	0.337	0.086	0.52
Compound_57	O=N(=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl	0.137	0.428	0.524	0.458	0.07	0.461	0.001	0.055	0.058	0.012	0.289