Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.69	0.014	0.218	0.664	0.37	0.017	0.948	0.924	0.163	0.354	0.918
Compound_2	OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.7	0.014	0.248	0.79	0.353	0.018	0.899	0.899	0.132	0.354	0.918
Compound_3	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F	0.702	0.114	0.182	0.741	0.204	0.19	0.941	0.871	0.338	0.889	0.205
Compound_4	OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.795	0.014	0.248	0.812	0.318	0.023	0.86	0.873	0.1	0.354	0.918
Compound_5	OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.833	0.014	0.248	0.812	0.316	0.021	0.928	0.873	0.091	0.354	0.918
Compound_6	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.703	0.114	0.182	0.782	0.225	0.216	0.96	0.839	0.335	0.889	0.205
Compound_7	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_8	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.746	0.114	0.182	0.782	0.232	0.219	0.975	0.839	0.335	0.889	0.205
Compound_9	OC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_10	FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.738	0.168	0.158	0.523	0.295	0.098	0.967	0.129	0.227	0.324	0.918
Compound_11	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_12	OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_13	OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_14	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.76	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(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_16	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_17	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_18	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_19	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_20	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F	0.718	0.073	0.154	0.579	0.408	0.104	0.666	0.93	0.259	0.293	0.901
Compound_21	COP(=O)(OC)OC	0.93	0.09	0.706	0.596	0.223	0.065	0.892	0.909	0.573	0.958	0.677
Compound_22	CCOP(=O)(OCC)OCC	0.934	0.124	0.892	0.529	0.037	0.026	0.922	0.221	0.396	0.996	0.618
Compound_23	CCCCOP(=O)(OCCCC)O	0.784	0.041	0.036	0.396	0.093	0.047	0.939	0.006	0.555	0.66	0.377
Compound_24	O=[P+]1Oc2ccccc2c2c1cccc2	0.76	0.722	0.977	0.566	0.536	0.08	0.708	0.241	0.913	0.996	0.955
Compound_25	CCCOP(=O)(OCCC)OCCC	0.842	0.095	0.55	0.551	0.088	0.043	0.995	0.319	0.548	0.985	0.61
Compound_26	OP(=O)(Oc1ccccc1)Oc1ccccc1	0.903	0.631	0.646	0.389	0.548	0.042	0.995	0.003	0.762	0.578	0.607
Compound_27	ClCC(OP(=O)(OC(CCl)C)O)C	0.935	0.324	0.067	0.384	0.121	0.082	0.993	0.82	0.61	0.219	0.526
Compound_28	CC(COP(=O)(OCC(C)C)OCC(C)C)C	0.842	0.121	0.236	0.517	0.08	0.037	0.992	0.111	0.472	0.991	0.571
Compound_29	ClCCOP(=O)(OCCCl)OCCCl	0.938	0.305	0.64	0.646	0.092	0.061	0.895	0.996	0.797	0.978	0.81
Compound_30	O=P(c1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.842	0.646	0.696	0.637	0.917	0.091	0.999	0.296	0.969	0.935	0.751
Compound_31	Oc1ccc(c(c1)P1(=O)Oc2ccccc2c2c1cccc2)O	0.586	0.727	0.975	0.738	0.947	0.227	0.841	0.982	0.778	0.857	0.916
Compound_32	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.952	0.658	0.923	0.652	0.887	0.089	0.999	0.684	0.845	0.955	0.75
Compound_33	ClCC(OP(=O)(OC(CCl)C)OC(CCl)C)C	0.944	0.365	0.616	0.685	0.188	0.103	0.998	0.999	0.664	0.967	0.716
Compound_34	Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1	0.787	0.662	0.906	0.672	0.776	0.139	0.992	0.827	0.624	0.987	0.756
Compound_35	OC(=O)CC(C(=O)O)CP1(=O)Oc2ccccc2c2c1cccc2	0.438	0.55	0.456	0.405	0.868	0.396	0.778	0.489	0.411	0.401	0.5
Compound_36	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.929	0.682	0.426	0.637	0.621	0.077	0.995	0.261	0.586	0.98	0.774
Compound_37	Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C	0.868	0.594	0.932	0.675	0.907	0.343	0.978	0.534	0.633	0.97	0.718
Compound_38	Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C	0.787	0.601	0.906	0.604	0.776	0.139	0.992	0.886	0.568	0.991	0.784
Compound_39	O=P(Oc1ccccc1C(C)(C)C)(Oc1ccccc1)Oc1ccccc1	0.786	0.524	0.914	0.63	0.88	0.246	0.947	0.946	0.758	0.991	0.73
Compound_40	CCP(=O)(CC)[O-]	0.754	0.13	0.584	0.571	0.646	0.241	0.95	0.887	0.775	0.992	0.933
Compound_41	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	0.911	0.024	0.289	0.61	0.163	0.177	0.998	0.392	0.629	0.979	0.633
Compound_42	ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl	0.946	0.544	0.577	0.67	0.371	0.299	0.996	1.0	0.691	0.975	0.815
Compound_43	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.936	0.056	0.171	0.55	0.093	0.088	0.999	0.141	0.511	0.998	0.681
Compound_44	CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C)(C)C	0.841	0.536	0.914	0.625	0.959	0.608	0.978	0.743	0.787	0.97	0.666
Compound_45	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1	0.969	0.629	0.933	0.65	0.971	0.535	0.999	0.724	0.591	0.31	0.724
Compound_46	CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.901	0.599	0.92	0.69	0.987	0.564	0.978	0.823	0.625	0.589	0.704
Compound_47	BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br	0.864	0.28	0.73	0.684	0.291	0.499	0.996	0.999	0.484	0.998	0.869
Compound_48	Brc1cc(Br)c(c(c1)Br)O	0.948	0.134	0.452	0.507	0.668	0.72	0.994	0.969	0.389	0.996	0.929
Compound_49	BrC[C@H]([C@H](CBr)Br)Br	0.916	0.103	0.529	0.629	0.189	0.387	0.995	0.984	0.72	1.0	0.939
Compound_50	Cc1c(Br)c(Br)c(c(c1Br)Br)O	0.904	0.111	0.651	0.664	0.688	0.65	0.823	0.986	0.481	0.995	0.816
Compound_51	Brc1c(C)c(Br)c(c(c1Br)Br)Br	0.922	0.068	0.583	0.602	0.605	0.299	0.996	0.975	0.592	0.999	0.289
Compound_52	Brc1cc(cc(c1O)Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)O	0.832	0.551	0.417	0.698	0.621	0.66	0.914	0.891	0.522	0.996	0.74
Compound_53	C=CCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC=C)(C)C	0.87	0.532	0.978	0.74	0.683	0.706	0.978	0.988	0.321	0.995	0.846
Compound_54	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCCO)(C)C	0.624	0.474	0.732	0.728	0.682	0.701	0.973	0.851	0.274	0.978	0.918
Compound_55	BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br	0.991	0.178	0.377	0.605	0.363	0.446	0.995	0.955	0.826	1.0	0.53
Compound_56	BrCC(Cn1c(=O)n(CC(CBr)Br)c(=O)n(c1=O)CC(CBr)Br)Br	0.253	0.262	0.218	0.617	0.176	0.509	0.005	0.944	0.554	0.288	0.721
Compound_57	BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br	0.828	0.483	0.975	0.785	0.681	0.697	0.98	0.976	0.383	0.991	0.959