Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(C[C@@H]1[C@H](OC(=O)C1=C)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)C	0.916	0.98	0.653	0.742	0.965	0.95	0.862	0.999	0.525	0.998	0.703
Compound_2	OCCCO[C@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C[C@@H]2OC(=O)C(=C)[C@H]2CCC)C)C)/C(=C)[C@H]1O	0.892	0.99	0.047	0.733	0.978	0.94	0.789	0.975	0.416	0.822	0.647
Compound_3	O=C(c1cccs1)N[C@@H]1CC[C@@H](CC1)CCN1CCN(CC1)c1nsc2c1cccc2	0.432	0.545	0.317	0.317	0.484	0.806	0.53	0.859	0.43	0.396	0.062
Compound_4	CCCC[C@@H](C1CCC2[C@]1(C)CCC/C/2=C\C=C1C[C@@H](O)C([C@@H](C1)O)C)C	0.937	0.98	0.409	0.722	0.807	0.852	0.161	0.986	0.373	0.997	0.976
Compound_5	CCC(c1ccc(n1CC)C(=O)NCCN(C)C)(c1ccc(c(c1)C)OCCC(CC)(CC)O)CC	0.533	0.64	0.006	0.193	0.276	0.917	0.108	0.048	0.269	0.004	0.439
Compound_6	OC[C@@H](COc1ccc(cc1C)C(c1ccc(c(c1)C)OCC(CC)(CC)O)(CC)CC)O	0.349	0.66	0.023	0.5	0.736	0.97	0.261	0.014	0.196	0.894	0.886
Compound_7	CCCC[C@@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C1C[C@@H](O)C(=C)[C@@H](C1)O)C)CC(CC)(CC)O	0.93	0.99	0.268	0.765	0.954	0.899	0.632	0.983	0.53	0.996	0.946
Compound_8	CCC(c1ccc(n1CC)C(=O)NCC(=O)O)(c1ccc(c(c1)C)C#CC(CC)(CC)O)CC	0.447	0.598	0.085	0.294	0.283	0.766	0.829	0.071	0.357	0.172	0.633
Compound_9	O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC#C[C@@H](C23CC4CC(C3)CC(C2)C4)O)C)C)/C1	0.913	1.0	0.563	0.667	0.979	0.963	0.35	0.996	0.214	0.963	0.573
Compound_10	CCOC(=O)/C=C/C1(CC1)[C@@H](/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)O	0.965	0.977	0.717	0.833	0.987	0.94	0.855	0.996	0.529	0.98	0.825
Compound_11	OCCCO[C@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C[C@H]2OC(=O)C(=C)[C@@H]2CCC)C)C)/C(=C)[C@H]1O	0.892	0.99	0.047	0.733	0.978	0.94	0.789	0.975	0.416	0.822	0.647
Compound_12	CCC(c1cn(c(c1)C(=O)NCCN1CCN(CC1)C)CC)(c1ccc(c(c1)C)OCC(O)C)CC	0.533	0.597	0.01	0.168	0.12	0.804	0.064	0.052	0.29	0.044	0.655
Compound_13	C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C1C[C@@H](O)C(=C)[C@@H](C1)O)CCCC(=O)c1ccc(cc1)O	0.941	0.96	0.377	0.718	0.983	1.0	0.471	0.99	0.25	0.994	0.79
Compound_14	O=C(Nc1ccco1)N[C@@H]1CC[C@@H](CC1)CCN1CCN(CC1)c1nsc2c1cccc2	0.33	0.481	0.314	0.303	0.669	0.687	0.616	0.741	0.457	0.488	0.188
Compound_15	O=C(c1sccc1Br)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1nsc2c1cccc2	0.449	0.602	0.267	0.309	0.584	0.729	0.596	0.902	0.511	0.466	0.079
Compound_16	C=C1[C@H](O)CC(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3C#CC#C[C@@H](C23CC4CC(C3)CC(C2)C4)O)C)C[C@H]1O	0.906	0.97	0.799	0.658	0.979	0.963	0.35	0.994	0.206	0.95	0.577
Compound_17	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C	0.951	0.9	0.778	0.733	0.772	0.912	0.21	0.996	0.054	0.998	0.939
Compound_18	CCCC[C@H]1[C@@H](OC(=O)C1=C)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)[C@@H]([C@@H](C1=C)O)CCCO)C	0.923	0.97	0.145	0.782	0.968	0.947	0.862	0.963	0.32	0.95	0.784
Compound_19	OC[C@@H](NC(=O)c1cc(cn1CC)C(c1ccc(c(c1)C)C#CC(CC)(CC)O)(CC)CC)C	0.505	0.496	0.093	0.452	0.095	0.776	0.677	0.033	0.435	0.001	0.5
Compound_20	O=C(Nc1ccco1)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1nsc2c1cccc2	0.33	0.481	0.314	0.303	0.669	0.687	0.616	0.741	0.457	0.488	0.188
Compound_21	CCCC[C@@H]1[C@H](OC(=O)C1=C)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)[C@@H]([C@@H](C1=C)O)CCCO)C	0.923	0.97	0.145	0.782	0.968	0.947	0.862	0.963	0.32	0.95	0.784
Compound_22	C=CC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C1C[C@@H](O)C(=C)[C@@H](C1)O)C	0.925	0.997	0.385	0.778	0.922	0.966	0.394	0.99	0.118	0.979	0.69
Compound_23	OC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@H](CCCCCCC(O)(C)C)CC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C	0.939	0.98	0.067	0.712	0.916	0.895	0.341	0.876	0.281	0.791	0.858
Compound_24	O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C[C@H]2OC(=O)C(=C)[C@@H]2C)C)C)/C1	0.918	0.98	0.176	0.746	0.965	0.95	0.862	0.998	0.566	0.998	0.713
Compound_25	OC[C@@H](COc1ccc(cc1C)C(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)(CC)CC)O	0.349	0.597	0.156	0.476	0.701	0.974	0.241	0.053	0.257	0.899	0.795
Compound_26	O=C(OC1CC1)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1nsc2c1cccc2	0.202	0.444	0.428	0.313	0.41	0.818	0.592	0.867	0.398	0.235	0.245
Compound_27	CCOC(=O)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1nsc2c1cccc2	0.16	0.526	0.77	0.294	0.292	0.86	0.767	0.754	0.304	0.75	0.373
Compound_28	CC[C@H]1[C@@H](OC(=O)C1=C)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)[C@@H]([C@@H](C1=C)O)C)C	0.923	0.96	0.218	0.768	0.953	0.948	0.862	0.997	0.586	0.999	0.838
Compound_29	CCCCS(=O)(=O)NCCCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C1C[C@@H](O)C[C@@H](C1)O)C	0.373	0.92	0.205	0.599	0.372	0.876	0.008	0.981	0.39	0.768	0.435
Compound_30	CCC[C@H]1[C@@H](OC(=O)C1=C)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C	0.916	0.96	0.176	0.756	0.965	0.95	0.862	0.998	0.577	0.999	0.838
Compound_31	OCC[C@H](Oc1ccc(cc1C)C(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)(CC)CC)CO	0.346	0.576	0.122	0.476	0.675	0.959	0.185	0.502	0.33	0.734	0.836