Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C	0.953	1.0	0.529	0.933	0.845	0.863	0.812	1.0	0.058	0.929	0.158
Compound_2	O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.933	0.74	0.384	0.711	0.095	0.898	0.743	0.997	0.381	0.061	0.319
Compound_3	O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)N(=O)=O)(C)C	0.767	0.778	0.22	0.267	0.093	0.898	0.413	0.993	0.408	0.023	0.448
Compound_4	C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl	0.783	0.796	0.679	0.709	0.582	0.364	0.993	0.967	0.435	0.847	0.262
Compound_5	Oc1ccc(cc1)C(c1ccccc1)(C)C	0.955	0.558	0.749	0.64	0.92	0.981	0.972	0.94	0.665	0.79	0.765
Compound_6	CCCCCCCCCc1ccc(cc1)OCCOCCO	0.523	0.263	0.237	0.576	0.563	0.898	0.82	0.98	0.417	0.748	0.328
Compound_7	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.976	0.629	0.722	0.637	0.948	0.983	0.981	0.957	0.711	0.747	0.875
Compound_8	CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.951	0.82	0.502	0.646	0.967	0.99	0.969	0.949	0.535	0.794	0.918
Compound_9	CC/C(=C(\c1ccc(cc1)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1	0.417	0.393	0.01	0.906	0.964	0.986	0.004	0.186	0.351	0.015	0.154
Compound_10	CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC	0.171	0.475	0.232	0.531	0.92	0.984	0.002	0.668	0.058	0.52	0.659
Compound_11	O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O	0.885	0.814	0.064	0.861	0.989	0.936	0.11	0.638	0.312	0.997	0.602
Compound_12	OC(=O)C(CC1=CC(=C(C(C1)(I)I)Oc1ccc(cc1)O)I)N	0.498	0.457	0.484	0.493	0.793	0.785	0.099	0.881	0.234	0.049	0.381
Compound_13	OC(=O)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O	0.177	0.464	0.189	0.691	0.843	0.456	0.997	0.095	0.225	0.897	0.918
Compound_14	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.746	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205
Compound_15	OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.877	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_16	CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.053	0.221	0.276	0.543	0.086	0.066	0.097	0.093	0.094	0.533	0.087
Compound_17	CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C	0.053	0.599	0.111	0.447	0.833	0.827	0.116	0.159	0.058	0.083	0.758
Compound_18	OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.468	0.695	0.969	0.53	0.826	0.626	0.998	0.93	0.199	0.345	0.752
Compound_19	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C	0.514	0.779	0.022	0.545	0.821	0.898	0.991	0.932	0.262	0.566	0.918
Compound_20	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_21	CCC(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)C	0.953	0.91	0.008	0.801	0.939	0.766	0.02	0.993	0.413	0.987	0.34
Compound_22	CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2	0.053	0.639	0.089	0.215	0.62	0.539	0.219	0.031	0.321	0.137	0.701
Compound_23	OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N	0.912	0.643	0.026	0.533	0.113	0.198	0.005	0.761	0.307	0.01	0.753
Compound_24	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.653	0.81	0.467	0.331	0.871	0.701	0.988	0.206	0.734	0.213	0.807
Compound_25	O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1	0.857	0.451	0.773	0.804	0.901	0.399	0.976	0.922	0.367	0.983	0.911
Compound_26	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_27	Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C	0.469	0.716	0.129	0.568	0.784	0.768	0.817	0.952	0.711	0.46	0.635
Compound_28	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C	0.668	0.731	0.419	0.449	0.905	0.898	0.969	0.977	0.369	0.035	0.977
Compound_29	COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC	0.56	0.637	0.406	0.572	0.733	0.651	0.881	0.334	0.401	0.789	0.918
Compound_30	CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC	0.271	0.863	0.778	0.685	0.624	0.535	0.935	0.991	0.228	0.315	0.918
Compound_31	C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O	0.102	0.763	0.005	0.521	0.026	0.898	0.928	0.821	0.924	0.139	0.026
Compound_32	CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1	0.753	0.786	0.641	0.888	0.09	0.742	0.215	0.342	0.399	0.027	0.682
Compound_33	C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.132	0.736	0.932	0.879	0.76	0.898	0.006	0.921	0.351	0.986	0.619
Compound_34	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.122	0.909	0.653	0.791	0.386	0.898	0.025	0.876	0.52	0.811	0.678
Compound_35	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.941	0.962	0.829	0.943	0.289	0.823	0.059	0.964	0.419	0.822	0.589
Compound_36	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_37	CN(C(=S)SSC(=S)N(C)C)C	0.567	0.114	0.068	0.478	0.341	0.898	0.189	0.859	0.96	1.0	0.649
Compound_38	CN(C(=S)[S-])C	0.433	0.103	0.272	0.568	0.113	0.898	0.306	0.972	0.964	0.999	0.821
Compound_39	CCNc1nc(NC(C)C)nc(n1)Cl	0.343	0.21	0.657	0.394	0.042	0.083	0.0	0.087	0.511	0.253	0.06
Compound_40	CCNc1nc(nc(n1)Cl)NC(C#N)(C)C	0.318	0.284	0.561	0.462	0.068	0.105	0.0	0.18	0.511	0.399	0.201
Compound_41	CCNc1nc(NCC)nc(n1)Cl	0.361	0.224	0.703	0.452	0.02	0.022	0.0	0.086	0.783	0.115	0.069
Compound_42	C=CCOC(=O)C(OC(=O)c1cc(ccc1Cl)n1c(=O)cc(n(c1=O)C)C(F)(F)F)(C)C	0.952	0.549	0.124	0.598	0.663	0.898	0.715	0.976	0.339	0.574	0.43
Compound_43	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.848	0.699	0.77	0.628	0.888	0.824	0.974	0.99	0.414	0.982	0.809
Compound_44	CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C	0.952	0.797	0.991	0.81	0.921	0.725	0.993	0.942	0.362	0.822	0.932