Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(C1CCC(CC1)C(=O)N[C@@H](C(=O)O)Cc1ccccc1)C	0.072	0.392	0.022	0.175	0.038	0.052	0.11	0.011	0.362	0.113	0.01
Compound_2	O=CC(Cc1ccc(cc1)C(C)C)C	0.655	0.092	0.393	0.516	0.043	0.195	0.834	0.158	0.81	0.971	0.306
Compound_3	CC(c1ccc(cc1)C(C)C)C	0.738	0.106	0.654	0.533	0.077	0.06	0.753	0.473	0.886	0.996	0.207
Compound_4	Oc1ccc2c(c1)C(=O)N(C2=O)c1c(cccc1C(C)C)C(C)C	0.769	0.709	0.789	0.68	0.905	0.935	0.981	0.876	0.575	0.953	0.45
Compound_5	NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1ccccc1)CCC2)C(C)C)CCCN)C(C)C	0.85	0.58	0.08	0.347	0.156	0.898	0.974	0.023	0.415	0.124	0.918
Compound_6	CC(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C	0.102	0.766	0.838	0.35	0.222	0.898	0.969	0.535	0.95	0.077	0.202
Compound_7	CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C	0.606	0.692	0.005	0.133	0.659	0.898	0.347	0.051	0.95	0.971	0.918
Compound_8	CC(C(=O)OCCOc1ccccc1)C	0.28	0.176	0.731	0.73	0.359	0.041	0.528	0.394	0.319	0.57	0.044
Compound_9	O=C(C(C)C)OCCc1ccccc1	0.408	0.118	0.457	0.647	0.097	0.055	0.987	0.398	0.396	0.116	0.266
Compound_10	CC(C(=O)OC/C=C/c1ccccc1)C	0.902	0.162	0.751	0.757	0.179	0.172	0.981	0.887	0.216	0.953	0.434
Compound_11	O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C	0.053	0.736	0.121	0.635	0.291	0.117	0.017	0.026	0.168	0.006	0.129
Compound_12	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_13	CC(CCc1ccccc1)(O)C	0.593	0.113	0.214	0.523	0.079	0.077	0.528	0.357	0.44	0.039	0.087
Compound_14	COC(=O)C[C@@](C(=O)O[C@@H]1C(=C[C@]23[C@@H]1c1cc4OCOc4cc1CCN3CCC2)OC)(CCCC(O)(C)C)O	0.791	0.97	0.721	0.653	0.905	0.898	0.221	0.469	0.95	0.298	0.918
Compound_15	CC(Cc1ccccc1)(O)C	0.116	0.101	0.294	0.512	0.05	0.052	0.876	0.41	0.529	0.167	0.122
Compound_16	CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C	0.961	0.512	0.722	0.686	0.682	0.707	0.993	0.984	0.476	0.996	0.989
Compound_17	C=CC(=O)NC(C)(C)C	0.317	0.066	0.308	0.523	0.037	0.026	0.444	0.992	0.28	0.961	0.638
Compound_18	CC(CC(N)(C)C)(C)C	0.201	0.022	0.123	0.376	0.02	0.047	0.013	0.015	0.728	0.239	0.133
Compound_19	Oc1c(cc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C)Cc1cc(cc(c1O)n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.554	0.718	0.637	0.619	0.619	0.842	0.823	0.256	0.73	0.876	0.757
Compound_20	OC(=O)Cc1ccccc1COc1ccc2c(c1)cc(o2)c1scc(n1)C(C)(C)C	0.324	0.619	0.927	0.538	0.634	0.696	0.996	0.681	0.209	0.663	0.829
Compound_21	[O-]S(=O)(=O)c1c2ccc(cc2ccc1C(C)(C)C)C(C)(C)C	0.881	0.591	0.867	0.478	0.399	0.665	0.934	0.945	0.467	0.991	0.142
Compound_22	CN(Cc1cccc2c1cccc2)Cc1ccc(cc1)C(C)(C)C	0.555	0.524	0.182	0.239	0.303	0.911	0.107	0.1	0.503	0.472	0.087
Compound_23	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.821	0.051	0.312	0.591	0.44	0.952	0.265	0.592	0.914	0.988	0.5