Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Nc1cccc(c1)Cl	0.896	0.164	0.946	0.64	0.368	0.2	0.998	0.986	0.723	0.981	0.219
Compound_2	O=N(=O)c1ccc(c(c1)N(=O)=O)O	0.929	0.083	0.866	0.592	0.801	0.787	0.96	0.994	0.95	0.977	0.94
Compound_3	Clc1c(Cl)cccc1Cl	0.977	0.088	0.967	0.576	0.131	0.233	0.998	0.959	0.739	0.999	0.279
Compound_4	NC(=O)c1c(Cl)cccc1Cl	0.806	0.274	0.162	0.38	0.152	0.42	0.993	0.011	0.552	0.768	0.369
Compound_5	NC(=O)N/N=C/c1ccc(o1)N(=O)=O	0.12	0.409	0.57	0.214	0.626	0.542	0.007	0.975	0.387	0.482	0.812
Compound_6	Clc1cc(Cl)c(c(c1)Cl)O	0.916	0.149	0.452	0.507	0.263	0.098	0.987	0.969	0.798	0.994	0.918
Compound_7	Nc1cc(Cl)c(c(c1)Cl)N	0.92	0.308	0.945	0.614	0.221	0.298	0.994	0.941	0.97	0.972	0.649
Compound_8	Oc1c(Cl)cc(c(c1Cl)Cl)Cl	0.924	0.149	0.633	0.74	0.853	0.899	0.991	0.996	0.819	0.994	0.918
Compound_9	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.96	0.088	0.905	0.651	0.253	0.725	0.999	0.991	0.882	0.999	0.279
Compound_10	Clc1cc(Cl)c(c(c1Cl)N(=O)=O)Cl	0.975	0.122	0.923	0.661	0.093	0.483	0.999	0.998	0.822	0.999	0.936
Compound_11	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_12	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_13	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_14	S=c1[nH][nH]c(=S)s1	0.472	0.375	0.623	0.512	0.374	0.105	0.117	0.02	0.9	0.963	0.678
Compound_15	O=c1[nH]c(=O)[nH]c(=O)[nH]1	0.549	0.188	0.214	0.419	0.377	0.07	0.032	0.037	0.791	0.082	0.505
Compound_16	Clc1nc(Cl)nc(n1)Cl	0.767	0.217	0.858	0.552	0.4	0.061	0.201	0.886	0.907	0.753	0.05
Compound_17	Clc1nc(c(c(c1Cl)Cl)Cl)C(Cl)(Cl)Cl	0.648	0.324	0.759	0.648	0.668	0.816	0.99	0.988	0.439	0.983	0.32
Compound_18	ClCCOC=C	0.893	0.138	0.385	0.582	0.07	0.024	0.988	0.984	0.914	0.997	0.943
Compound_19	OCC=C	0.782	0.104	0.183	0.572	0.296	0.072	0.962	0.981	0.123	0.627	0.888
Compound_20	C=Cc1ccncc1	0.536	0.269	0.423	0.575	0.008	0.096	0.012	0.471	0.891	0.884	0.312
Compound_21	C=CC(=O)OCCC#N	0.984	0.142	0.162	0.756	0.803	0.402	0.999	0.998	0.804	0.435	0.938
Compound_22	C=CC#N	0.961	0.245	0.456	0.624	0.472	0.073	0.991	0.997	0.924	0.997	0.884
Compound_23	C/C=C/C=C/C(=O)O	0.704	0.044	0.176	0.324	0.557	0.039	0.991	0.654	0.871	0.832	0.627
Compound_24	IC(I)I	0.902	0.231	0.324	0.575	0.708	0.294	0.686	0.983	0.739	1.0	0.758
Compound_25	ClC(=O)OCCOC(=O)Cl	0.747	0.076	0.429	0.625	0.135	0.113	0.834	0.99	0.862	0.976	0.962
Compound_26	OCCO	0.616	0.077	0.115	0.458	0.061	0.096	0.565	0.68	0.258	0.124	0.646
Compound_27	OCCCO	0.622	0.117	0.123	0.472	0.065	0.086	0.321	0.192	0.092	0.037	0.574
Compound_28	OCCC#N	0.763	0.153	0.054	0.484	0.144	0.095	0.844	0.52	0.383	0.063	0.816
Compound_29	OCCCCO	0.602	0.151	0.105	0.494	0.044	0.062	0.939	0.179	0.085	0.232	0.604
Compound_30	ClCCOCCCl	0.898	0.072	0.438	0.585	0.058	0.052	0.979	0.954	0.927	1.0	0.956
Compound_31	OCCCl	0.798	0.11	0.115	0.585	0.037	0.025	0.921	0.885	0.722	0.653	0.901
Compound_32	N#CCCCCC#N	0.948	0.249	0.183	0.53	0.244	0.076	0.945	0.975	0.743	0.984	0.888
Compound_33	BrCCCCBr	0.892	0.058	0.292	0.624	0.172	0.056	0.992	0.953	0.779	1.0	0.953
Compound_34	O=CCCCC=O	0.824	0.093	0.273	0.473	0.034	0.382	0.991	0.957	0.777	0.724	0.918
Compound_35	OC(=O)CCC(=O)O	0.35	0.024	0.047	0.193	0.067	0.02	0.302	0.199	0.557	0.002	0.105
Compound_36	ClCCBr	0.935	0.063	0.433	0.611	0.27	0.059	0.973	0.983	0.907	0.999	0.96
Compound_37	BrCCBr	0.904	0.057	0.433	0.611	0.116	0.06	0.888	0.983	0.788	0.999	0.952
Compound_38	ClCC=O	0.911	0.103	0.407	0.6	0.244	0.561	0.983	1.0	0.989	0.995	0.965
Compound_39	N#CCC#N	0.905	0.338	0.205	0.507	0.158	0.067	0.925	0.946	0.753	0.975	0.87
Compound_40	OCC#CCO	0.824	0.23	0.275	0.473	0.05	0.483	0.942	0.715	0.482	0.352	0.727
Compound_41	NC(=S)N	0.476	0.099	0.4	0.46	0.463	0.039	0.123	0.727	0.979	0.968	0.519
Compound_42	O=CC=O	0.832	0.173	0.407	0.465	0.049	0.71	0.895	0.964	0.713	0.908	0.92
Compound_43	NC(=O)NNC(=O)N	0.514	0.112	0.047	0.244	0.334	0.073	0.004	0.029	0.592	0.111	0.243
Compound_44	NC(=O)NC(=O)N	0.352	0.106	0.026	0.228	0.374	0.033	0.018	0.022	0.587	0.06	0.341
Compound_45	OC(=O)/C=C\C(=O)O	0.766	0.07	0.047	0.233	0.55	0.059	0.928	0.377	0.873	0.317	0.843
Compound_46	OC(=O)/C=C/C(=O)O	0.766	0.07	0.047	0.233	0.55	0.059	0.928	0.377	0.873	0.317	0.843
Compound_47	ClC/C=C\Cl	0.921	0.06	0.63	0.64	0.649	0.054	0.995	0.993	1.002	0.998	0.933
Compound_48	N#CN=C(N)N	0.435	0.198	0.274	0.444	0.384	0.028	0.002	0.426	0.796	0.307	0.306
Compound_49	N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl	0.948	0.494	0.364	0.703	0.859	0.315	0.967	0.999	0.652	0.972	0.987
Compound_50	N#CC(C(=O)N)(Br)Br	0.339	0.139	0.063	0.385	0.659	0.207	0.67	0.643	0.579	0.694	0.801
Compound_51	Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl	0.942	0.659	0.792	0.674	0.881	0.543	0.993	0.966	0.293	0.997	0.944