Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Clc1ccc(c(c1)N(=O)=O)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(c(c1)Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(cc1N(=O)=O)Cl	0.891	0.718	0.995	0.78	0.788	0.688	0.889	0.997	0.441	0.995	0.951
Compound_2	COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N	0.819	0.509	0.659	0.689	0.931	0.817	0.968	0.993	0.42	0.043	0.72
Compound_3	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O	0.837	0.54	0.386	0.405	0.199	0.645	0.852	0.968	0.533	0.014	0.272
Compound_4	N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F	0.68	0.676	0.998	0.736	0.956	0.711	0.949	0.894	0.407	0.044	0.74
Compound_5	CCCCCCOc1ccc(c(c1)O)c1nc(nc(n1)c1ccccc1)c1ccccc1	0.878	0.609	0.766	0.776	0.939	0.801	0.682	0.989	0.658	0.182	0.81
Compound_6	CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O	0.862	0.281	0.047	0.673	0.121	0.174	0.808	0.064	0.035	0.912	0.058
Compound_7	CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C	0.952	0.846	0.044	0.796	0.905	0.645	0.1	0.982	0.364	0.975	0.239
Compound_8	CC(=O)Nc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1Cl)C(=O)N	0.874	0.684	0.731	0.639	0.852	0.783	0.883	0.359	0.483	0.893	0.808
Compound_9	C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C	0.395	0.592	0.077	0.531	0.517	0.098	0.477	0.193	0.216	0.997	0.685
Compound_10	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C	0.395	0.592	0.077	0.531	0.517	0.098	0.477	0.193	0.216	0.997	0.685
Compound_11	Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O	0.619	0.507	0.18	0.617	0.455	0.697	0.983	0.697	0.456	0.684	0.918
Compound_12	Cc1ccc(cc1)S(=O)(=O)C(C(=O)c1ccc(cc1)Sc1ccc(cc1)C(=O)c1ccccc1)(C)C	0.552	0.636	0.881	0.635	0.884	0.774	0.915	0.332	0.401	0.726	0.277
Compound_13	N#Cc1c(Nc2ccc(cc2)C)nc(c(c1C)N=Nc1ccccc1C(F)(F)F)Nc1ccc(cc1)C	0.782	0.712	0.985	0.691	0.967	0.825	0.616	0.964	0.712	0.181	0.638
Compound_14	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C	0.732	0.346	0.247	0.494	0.409	0.095	0.494	0.323	0.317	0.998	0.278
Compound_15	Clc1ccc(c(c1)Cl)[C@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1	0.053	0.769	0.891	0.723	0.893	0.85	0.02	0.993	0.413	0.961	0.416
Compound_16	BrCC(COc1c(Br)cc(cc1Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)OCC(CBr)Br)Br	0.736	0.753	0.927	0.79	0.622	0.66	0.945	0.975	0.35	0.999	0.64
Compound_17	Clc1cc(NC(=O)c2cc3ccccc3c(c2O)N=Nc2cc(ccc2Cl)C(F)(F)F)c(cc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1Cl)C(F)(F)F)Cl	0.887	0.689	0.984	0.753	0.883	0.703	0.92	0.995	0.46	0.956	0.918
Compound_18	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.112	0.482	0.014	0.35	0.944	0.937	0.653	0.041	0.418	0.165	0.451
Compound_19	Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1)Cl)Cl	0.989	0.389	0.99	0.762	0.599	0.638	0.997	0.899	0.98	0.995	0.816
Compound_20	C=Cc1ccccc1	0.97	0.287	0.612	0.583	0.051	0.076	0.998	0.976	0.917	0.997	0.419
Compound_21	COC(=O)C(=C)C	0.945	0.12	0.226	0.571	0.193	0.01	0.995	0.982	0.935	0.993	0.963
Compound_22	c1ccc(cc1)c1noc(n1)c1cccs1	0.366	0.619	0.931	0.767	0.528	0.817	0.643	0.94	0.99	0.8	0.16
Compound_23	C=CCC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.661	0.646	0.438	0.634	0.905	0.213	0.786	0.998	0.35	0.999	0.973
Compound_24	C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.661	0.646	0.438	0.634	0.905	0.213	0.786	0.998	0.35	0.999	0.973
Compound_25	O=CC=Cc1ccccc1	0.95	0.234	0.807	0.726	0.069	0.544	0.999	0.89	0.973	0.998	0.734
Compound_26	COC[C@@H](N(c1c(C)csc1C)C(=O)CCl)C	0.647	0.662	0.162	0.633	0.715	0.416	0.993	0.943	0.5	0.304	0.865
Compound_27	CCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_28	O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C	0.976	0.602	0.09	0.399	0.207	0.109	0.034	0.211	0.141	0.998	0.64
Compound_29	O=C1CC2C(C1(C)CC2)(C)C	0.976	0.602	0.09	0.399	0.207	0.109	0.034	0.211	0.141	0.998	0.64
Compound_30	Brc1cc(Br)c(cc1c1cc(Br)c(cc1Br)Br)Br	0.991	0.38	0.975	0.736	0.6	0.333	0.996	0.919	0.933	0.996	0.835
Compound_31	Oc1ccccc1	0.919	0.132	0.863	0.611	0.18	0.041	0.963	0.173	0.915	0.632	0.276
Compound_32	OCCN(CCO)CCO	0.053	0.028	0.167	0.099	0.02	0.023	0.008	0.822	0.783	0.052	0.241
Compound_33	Oc1nc(O)nc(c1)C(=O)O	0.635	0.1	0.357	0.357	0.627	0.565	0.04	0.179	0.136	0.128	0.169
Compound_34	[C]	0.888	0.142	0.433	0.496	0.508	0.072	0.686	0.897	0.934	1.0	0.788
Compound_35	CCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.457	0.023	0.996	0.987	0.703	1.0	0.856
Compound_36	Cl[C@@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.694	0.68	0.905	0.453	0.986	0.533	0.229	0.999	0.601
Compound_37	ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.694	0.68	0.905	0.453	0.986	0.533	0.229	0.999	0.601