Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	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_2	OB(O[Hg]c1ccccc1)O	0.973	0.161	0.29	0.556	0.905	0.898	0.997	0.107	0.921	0.778	0.918
Compound_3	OB(O)O	0.855	0.107	0.135	0.482	0.806	0.707	0.456	0.366	0.901	0.837	0.767
Compound_4	CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1cnccn1)Cc1ccccc1)C	0.944	0.542	0.263	0.64	0.905	0.66	0.002	0.915	0.95	0.932	0.659
Compound_5	[O-][Se](=O)[O-]	0.859	0.235	0.446	0.569	0.648	0.55	0.74	0.988	0.914	0.999	0.828
Compound_6	[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]	0.918	0.145	0.361	0.55	0.652	0.06	0.442	0.982	0.92	0.936	0.918
Compound_7	O[NH3+]	0.859	0.214	0.808	0.468	0.609	0.053	0.103	0.427	0.89	0.98	0.558
Compound_8	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_9	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_10	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_11	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_12	[O-]S(=O)(=O)[O-]	0.889	0.122	0.395	0.359	0.537	0.09	0.561	0.841	0.583	0.997	0.226
Compound_13	SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)[O-])O)n1cnc2c1ncnc2N)[O-])[O-])(C)C)O	0.72	0.669	0.112	0.426	0.343	0.637	0.016	0.133	0.386	0.043	0.44
Compound_14	[Cl-]	0.954	0.093	0.752	0.552	0.685	0.048	0.904	0.866	0.975	0.999	0.936
Compound_15	[Cl-]	0.954	0.093	0.752	0.552	0.685	0.048	0.904	0.866	0.975	0.999	0.936
Compound_16	[C-]#N	0.894	0.297	0.407	0.5	0.693	0.073	0.457	0.964	0.939	0.999	0.927
Compound_17	[C-]#N	0.894	0.297	0.407	0.5	0.693	0.073	0.457	0.964	0.939	0.999	0.927
Compound_18	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