Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCc1ccc(cc1)CC	0.753	0.126	0.641	0.578	0.06	0.072	0.995	0.695	0.911	0.996	0.244
Compound_2	CCc1cnc(c(c1)C(=O)O)C(=O)O	0.077	0.252	0.271	0.34	0.046	0.09	0.016	0.015	0.342	0.017	0.263
Compound_3	CCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)O)cccc2	0.09	0.47	0.355	0.356	0.849	0.618	0.99	0.961	0.396	0.979	0.792
Compound_4	CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)cccc2	0.053	0.517	0.355	0.356	0.688	0.736	0.99	0.961	0.444	0.991	0.942
Compound_5	CCc1cc(SCc2sc(nc2CN2CCN(CC2)c2ccc(cc2)OC)c2ccc(cc2)C(F)(F)F)ccc1OCC(=O)O	0.524	0.544	0.829	0.563	0.905	0.759	0.995	0.619	0.95	0.046	0.728
Compound_6	CCC1(Cc2c(C1)cccc2)c1cnc[nH]1	0.214	0.608	0.551	0.42	0.224	0.82	0.007	0.28	0.736	0.19	0.917
Compound_7	CCC[Si](OC)(OC)OC	0.921	0.043	0.232	0.573	0.049	0.087	0.998	0.928	0.823	0.86	0.72
Compound_8	CCCN(=O)=O	0.622	0.086	0.253	0.522	0.049	0.098	0.602	0.88	0.858	0.681	0.794
Compound_9	C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)CC	0.991	0.12	0.142	0.651	0.896	0.913	1.0	0.996	0.95	0.999	0.945
Compound_10	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC	0.974	0.08	0.197	0.65	0.776	0.499	0.997	0.998	0.919	0.996	0.949
Compound_11	CCC(Nc1ccc(cc1)NC(CC)C)C	0.645	0.219	0.926	0.377	0.089	0.421	0.002	0.877	0.95	0.952	0.425
Compound_12	NCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CCNC(=O)CCCCC(CC)C)[C@H](O)C)CCN	0.059	0.498	0.012	0.18	0.252	0.42	0.003	0.021	0.349	0.07	0.087
Compound_13	C/C=C\1/NC(=O)C(NC(=O)c2csc(n2)C23CCC(=NC3c3csc(n3)C(NC(=O)c3nc(C(NC(=O)C4N=C1SC4)C(C(O)C)(O)C)sc3)C(C)OC(=O)c1cc(C(O)C)c3c(n1)C(O)C(C=C3)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N2)C)C)C(CC)C)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(O)C	0.053	0.543	0.025	0.485	0.728	0.653	0.982	0.395	0.95	0.128	0.628
Compound_14	CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.646	0.087	0.061	0.548	0.455	0.951	0.265	0.868	0.873	0.992	0.521
Compound_15	CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C	0.935	0.762	0.097	0.808	0.972	0.875	0.979	0.987	0.452	0.765	0.935
Compound_16	CCOC(=O)CC	0.746	0.024	0.552	0.7	0.055	0.017	0.997	0.759	0.166	0.937	0.924
Compound_17	CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1	0.756	0.528	0.506	0.737	0.664	0.673	0.974	0.074	0.158	0.023	0.231
Compound_18	CCC(=O)/C=C/c1ccc(cc1)OC	0.943	0.269	0.719	0.831	0.163	0.748	0.834	0.309	0.394	0.93	0.636
Compound_19	CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O	0.948	0.461	0.056	0.639	0.777	0.898	0.975	0.979	0.263	0.991	0.341
Compound_20	CCC#N	0.894	0.237	0.165	0.509	0.147	0.038	0.94	0.9	0.748	0.94	0.852
Compound_21	O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl	0.869	0.688	0.408	0.702	0.129	0.862	0.902	0.033	0.511	0.255	0.191
Compound_22	Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1	0.706	0.803	0.288	0.735	0.553	0.898	0.93	0.156	0.95	0.031	0.486
Compound_23	Cc1ccc2c(n1)c(O)c(cc2Cl)Cl	0.952	0.657	0.848	0.445	0.671	0.625	0.685	0.866	0.95	0.99	0.989