Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	C=C[C@H](CCC=C(C)C)C	0.912	0.06	0.422	0.657	0.2	0.007	0.903	0.988	0.777	0.991	0.932
Compound_2	COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C	0.021	0.764	0.035	0.398	0.462	0.785	0.974	0.165	0.502	0.256	0.67
Compound_3	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](OCCC(O)(C)C)C)C)/C1	0.928	0.99	0.56	0.716	0.938	0.94	0.447	0.991	0.464	0.903	0.918
Compound_4	N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)OC)C	0.956	0.733	0.807	0.73	0.905	0.898	0.94	0.997	0.95	0.859	0.271
Compound_5	C/C=C/1\NC(=O)[C@H]2CSSCC/C=C/[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)CC(=O)N[C@@H](C(=O)N2)C(C)C	0.476	0.85	0.125	0.464	0.905	0.898	0.061	0.915	0.95	0.99	0.918
Compound_6	C/C=C/c1ccc(cc1)OC	0.915	0.249	0.902	0.83	0.093	0.493	0.83	0.305	0.929	0.972	0.374
Compound_7	C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c(C2)[nH]c(=O)cc1)C	0.489	0.681	0.045	0.369	0.25	0.658	0.238	0.15	0.558	0.001	0.2
Compound_8	O=C/C(=C/c1ccccc1)/C	0.935	0.501	0.717	0.588	0.049	0.302	0.996	0.965	0.914	0.999	0.86
Compound_9	C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)CC(=O)O	0.383	0.534	0.088	0.355	0.077	0.327	0.65	0.644	0.95	0.447	0.104
Compound_10	C/C(=C\c1ccccc1)/N(=O)=O	0.807	0.355	0.691	0.557	0.121	0.865	0.995	0.925	0.915	0.994	0.917
Compound_11	N#CSCSC#N	0.761	0.303	0.12	0.492	0.565	0.429	0.727	0.949	0.923	0.998	0.909
Compound_12	OC(=O)CCSSCCC(=O)O	0.441	0.079	0.051	0.187	0.217	0.046	0.383	0.189	0.25	0.673	0.306
Compound_13	OC(=O)CCS	0.166	0.135	0.023	0.138	0.143	0.098	0.942	0.388	0.486	0.002	0.248
Compound_14	NCCS(=O)(=O)O	0.053	0.047	0.005	0.161	0.054	0.098	0.001	0.003	0.319	0.002	0.34
Compound_15	OCCOCCOCCOCCO	0.628	0.06	0.086	0.469	0.16	0.374	0.089	0.138	0.249	0.68	0.671
Compound_16	NCCOCCOCCN	0.13	0.062	0.037	0.397	0.033	0.011	0.001	0.005	0.35	0.048	0.29
Compound_17	NCCOCCO	0.061	0.059	0.011	0.302	0.03	0.028	0.002	0.022	0.064	0.016	0.28
Compound_18	ClC(=O)OCCOCCOC(=O)Cl	0.893	0.073	0.337	0.591	0.206	0.171	0.798	0.97	0.867	0.998	0.963
Compound_19	OCCO	0.616	0.077	0.115	0.458	0.061	0.096	0.565	0.68	0.258	0.124	0.646
Compound_20	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_21	NCCN	0.169	0.073	0.058	0.379	0.019	0.008	0.0	0.004	0.38	0.108	0.402
Compound_22	OCCCCC(CO)O	0.649	0.18	0.051	0.522	0.067	0.069	0.836	0.029	0.064	0.364	0.128
Compound_23	OCCCl	0.798	0.11	0.115	0.585	0.037	0.025	0.921	0.885	0.722	0.653	0.901
Compound_24	ClCCCl	0.896	0.063	0.433	0.611	0.316	0.124	0.952	0.983	0.978	0.998	0.933
Compound_25	OC(=O)CCCl	0.552	0.045	0.081	0.433	0.304	0.038	0.99	0.957	0.511	0.027	0.624
Compound_26	NNC(=O)CCCCC(=O)NN	0.076	0.08	0.65	0.424	0.058	0.196	0.095	0.188	0.413	0.026	0.409
Compound_27	ClCCBr	0.935	0.063	0.433	0.611	0.27	0.059	0.973	0.983	0.907	0.999	0.96
Compound_28	BrCCCBr	0.873	0.057	0.292	0.616	0.182	0.061	0.992	0.953	0.786	0.999	0.952
Compound_29	BrCCBr	0.904	0.057	0.433	0.611	0.116	0.06	0.888	0.983	0.788	0.999	0.952
Compound_30	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_31	OCC(N(=O)=O)(CO)Br	0.426	0.128	0.099	0.598	0.196	0.098	0.105	0.967	0.568	0.049	0.611
Compound_32	OC(=O)C(CBr)Br	0.48	0.031	0.036	0.551	0.7	0.098	0.962	0.998	0.153	0.209	0.797
Compound_33	ClCC(=O)CCl	0.952	0.091	0.44	0.648	0.524	0.241	0.992	0.999	0.95	0.997	0.995
Compound_34	ClCC(=O)C(Cl)Cl	0.962	0.065	0.44	0.598	0.358	0.898	0.987	0.999	0.861	0.995	0.993
Compound_35	ClCC#N	0.953	0.204	0.273	0.649	0.223	0.094	0.879	0.999	0.988	0.976	0.94
Compound_36	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_37	NNC(=S)NN	0.534	0.111	0.871	0.356	0.487	0.169	0.032	0.537	0.968	0.914	0.303
Compound_38	NNC(=S)N	0.515	0.093	0.883	0.363	0.477	0.159	0.167	0.259	0.968	0.928	0.297
Compound_39	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_40	O=CC(Br)(Br)Br	0.882	0.076	0.407	0.642	0.483	0.425	0.968	0.992	0.95	1.0	0.98
Compound_41	O=C/C(=C(\C(=O)O)/Cl)/Cl	0.793	0.133	0.039	0.392	0.282	0.329	0.999	0.999	0.95	0.869	0.974
Compound_42	N#C/C=C/C#N	0.965	0.325	0.395	0.6	0.365	0.031	0.995	0.99	0.971	0.994	0.905
Compound_43	OC[C@H]1O[C@H]([S-])[C@@H]([C@H]([C@@H]1O)O)O	0.721	0.338	0.056	0.482	0.089	0.266	0.021	0.446	0.625	0.082	0.301
Compound_44	OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@@H]([C@H]3O)O)CO	0.376	0.425	0.016	0.341	0.872	0.708	0.228	0.031	0.34	0.708	0.211
Compound_45	N#Cc1nc(Cl)c(c(c1Cl)Cl)Cl	0.757	0.322	0.939	0.621	0.905	0.898	0.994	0.966	0.95	0.948	0.809
Compound_46	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.925	0.165	0.605	0.63	0.905	0.599	0.994	0.957	0.95	0.994	0.918
Compound_47	ClC(C#N)Cl	0.963	0.196	0.273	0.597	0.246	0.422	0.806	0.999	0.816	0.997	0.975
Compound_48	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_49	BrC(C#N)Br	0.924	0.193	0.273	0.597	0.17	0.129	0.772	0.999	0.924	0.999	0.963
Compound_50	OCC#C	0.82	0.2	0.092	0.399	0.058	0.144	0.885	0.705	0.482	0.537	0.764