Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.923	0.085	0.458	0.575	0.743	0.902	0.823	0.151	0.654	0.65	0.124
Compound_2	CC(c1ccc(cc1)S)(C)C	0.875	0.218	0.672	0.592	0.472	0.265	0.94	0.197	0.823	0.998	0.49
Compound_3	CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.763	0.477	0.312	0.554	0.772	0.996	0.056	0.961	0.925	0.996	0.888
Compound_4	CC(c1cc(O)c(cc1O)C(C)(C)C)(C)C	0.889	0.083	0.853	0.598	0.613	0.441	0.057	0.995	0.789	0.986	0.663
Compound_5	COc1ccc(c(c1)C(C)(C)C)O	0.765	0.112	0.823	0.674	0.614	0.117	0.08	0.218	0.758	0.914	0.652
Compound_6	Oc1ccc(c(c1)C(C)(C)C)O	0.885	0.083	0.875	0.633	0.63	0.098	0.118	0.977	0.765	0.986	0.663
Compound_7	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.83	0.731	0.681	0.855	0.057	0.857	0.741	0.456	0.474	0.07	0.382
Compound_8	O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.557	0.577	0.894	0.898	0.049	0.655	0.046	0.016	0.195	0.558	0.45
Compound_9	O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.952	0.628	0.189	0.612	0.091	0.898	0.482	0.962	0.419	0.048	0.468
Compound_10	N#CC(O)(C)C	0.725	0.1	0.104	0.478	0.085	0.021	0.544	0.411	0.583	0.103	0.744
Compound_11	N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C	0.355	0.514	0.393	0.827	0.088	0.396	0.437	0.036	0.555	0.06	0.533
Compound_12	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_13	C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C	0.82	0.252	0.607	0.397	0.051	0.647	0.98	0.326	0.416	0.75	0.536
Compound_14	CNC(=O)O/N=C/C(SC)(C)C	0.149	0.09	0.004	0.293	0.064	0.027	0.001	0.131	0.441	0.311	0.745
Compound_15	OC(=O)C(Oc1cccc(c1)Cl)C	0.146	0.075	0.253	0.46	0.409	0.058	0.633	0.026	0.159	0.541	0.083
Compound_16	OC(=O)C(Oc1ccc(cc1Cl)Cl)C	0.218	0.09	0.273	0.577	0.126	0.082	0.641	0.106	0.468	0.968	0.195
Compound_17	OC(=O)C(O)C	0.364	0.125	0.026	0.156	0.041	0.027	0.92	0.172	0.082	0.179	0.252
Compound_18	CC(C(=O)O)Br	0.426	0.031	0.046	0.45	0.628	0.079	0.983	0.992	0.249	0.646	0.852
Compound_19	CC(=S)N	0.281	0.068	0.435	0.479	0.018	0.026	0.421	0.49	0.959	0.994	0.622
Compound_20	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C	0.952	0.98	0.023	0.924	0.947	0.865	0.961	0.904	0.235	0.999	0.918