Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C	0.625	0.622	0.821	0.574	0.865	0.606	0.539	0.869	0.799	0.993	0.936
Compound_2	CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2	0.086	0.848	0.577	0.108	0.398	0.098	0.005	0.009	0.713	0.492	0.194
Compound_3	CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2	0.035	0.678	0.087	0.222	0.911	0.102	0.015	0.017	0.083	0.015	0.087
Compound_4	Nc1c(F)cnc(=O)[nH]1	0.08	0.353	0.174	0.46	0.092	0.017	0.007	0.072	0.756	0.012	0.152
Compound_5	CCCCCOC(=O)c1ccccc1O	0.653	0.328	0.151	0.661	0.378	0.132	0.087	0.4	0.63	0.471	0.605
Compound_6	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.952	0.516	0.272	0.161	0.411	0.666	0.282	0.041	0.95	0.026	0.065
Compound_7	CC(c1cccc(c1O)C(C)C)C	0.346	0.067	0.274	0.608	0.164	0.322	0.03	0.186	0.59	0.978	0.339
Compound_8	CC(=C)C1CC=C(C(C1)O)C	0.77	0.371	0.08	0.645	0.176	0.086	0.061	0.974	0.541	0.876	0.617
Compound_9	O=Cc1ccc(c(c1O)O)O	0.901	0.19	0.284	0.628	0.639	0.514	0.19	0.73	0.736	0.872	0.273
Compound_10	O=C1N=C(OC1c1ccccc1)N	0.05	0.215	0.456	0.56	0.001	0.232	0.676	0.421	0.281	0.003	0.307
Compound_11	O=C(N1c2ccccc2Sc2c1nccc2)OCCOCCN1CCCCC1	0.538	0.571	0.043	0.125	0.693	0.363	0.296	0.148	0.371	0.403	0.383
Compound_12	CC(COc1ccc2c(c1)cccc2)C	0.644	0.631	0.921	0.701	0.62	0.624	0.941	0.658	0.566	0.978	0.788
Compound_13	CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C	0.071	0.444	0.041	0.187	0.015	0.018	0.003	0.011	0.058	0.453	0.016
Compound_14	CCCCCC(=O)OCCC(C)C	0.751	0.012	0.673	0.719	0.053	0.015	0.963	0.42	0.077	0.996	0.89
Compound_15	C1CCC(CC1)(N1CCCC1)c1ccccc1	0.168	0.237	0.235	0.157	0.033	0.705	0.138	0.038	0.356	0.087	0.191
Compound_16	NC1=NCC(O1)c1ccccc1	0.095	0.358	0.41	0.471	0.007	0.218	0.031	0.022	0.34	0.005	0.208
Compound_17	O=C(c1ccccc1)Oc1c(C)cc(c2c1cccc2)O	0.595	0.719	0.755	0.671	0.959	0.932	0.905	0.735	0.799	0.905	0.664
Compound_18	CC1CCC(C(C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_19	CC(=C)C1CC=C(C(=O)C1)C	0.933	0.367	0.549	0.639	0.113	0.047	0.447	0.991	0.715	0.997	0.874
Compound_20	CCCCCC(=O)OC(C)C	0.746	0.024	0.232	0.583	0.059	0.022	0.973	0.133	0.516	0.974	0.776
Compound_21	Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O	0.439	0.527	0.903	0.684	0.93	0.859	0.993	0.091	0.464	0.868	0.876
Compound_22	CCCCCCOC(=O)C(C)C	0.817	0.012	0.144	0.713	0.075	0.029	0.974	0.746	0.496	0.996	0.89
Compound_23	CCCCCC=CC(=O)OCC	0.989	0.026	0.529	0.723	0.756	0.399	0.999	0.993	0.86	0.998	0.914
Compound_24	CCOC(=O)C1(CCN(CC1)CCOCC1CCCO1)c1ccccc1	0.217	0.529	0.018	0.252	0.083	0.016	0.011	0.165	0.232	0.168	0.235
Compound_25	Cc1cccc(c1)N(C(=S)Oc1ccc2c(c1)cccc2)C	0.722	0.791	0.773	0.653	0.303	0.991	0.08	0.894	0.687	0.999	0.087
Compound_26	Cc1ccc(c(c1)C(C)(C)C)O	0.65	0.051	0.862	0.637	0.441	0.959	0.035	0.942	0.872	0.988	0.5
Compound_27	Cc1ccc(c(c1O)C)C	0.613	0.084	0.315	0.587	0.164	0.126	0.463	0.915	0.911	0.982	0.43
Compound_28	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.287	0.851	0.845	0.709	0.265	0.898	0.854	0.459	0.95	0.733	0.764
Compound_29	COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N	0.081	0.333	0.073	0.129	0.096	0.43	0.018	0.049	0.111	0.002	0.087
Compound_30	O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N	0.808	0.57	0.947	0.695	0.453	0.126	0.984	0.884	0.851	0.742	1.001
Compound_31	CNC(=S)N(C)C	0.177	0.103	0.132	0.39	0.069	0.071	0.004	0.477	0.919	0.995	0.513
Compound_32	CCOc1cc(C)ccc1O	0.43	0.119	0.834	0.687	0.555	0.074	0.538	0.793	0.23	0.849	0.529
Compound_33	N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1	0.06	0.519	0.562	0.162	0.882	0.286	0.005	0.026	0.409	0.191	0.918
Compound_34	OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC	0.056	0.426	0.886	0.073	0.848	0.257	0.017	0.065	0.087	0.035	0.162
Compound_35	O=C1CCC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2C(=O)C)C)C	0.955	1.0	0.011	0.866	0.86	0.969	0.022	0.94	0.081	0.974	0.087
Compound_36	OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.065	0.497	0.131	0.293	0.684	0.25	0.531	0.082	0.058	0.045	0.18
Compound_37	CCNC(=S)Nc1ccccc1	0.664	0.218	0.626	0.336	0.088	0.606	0.01	0.594	0.812	0.953	0.391
Compound_38	OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C	0.047	0.446	0.871	0.063	0.848	0.257	0.017	0.047	0.202	0.014	0.103
Compound_39	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.578	0.331	0.801	0.561	0.021	0.437	0.639	0.176	0.75	0.44	0.512
Compound_40	COc1ccc(c(c1)CC(N)C)OC	0.206	0.083	0.627	0.583	0.028	0.063	0.002	0.031	0.53	0.08	0.13
Compound_41	Oc1ccc(c(c1)C)N	0.409	0.422	0.978	0.633	0.426	0.162	0.887	0.958	0.772	0.579	0.903
Compound_42	O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1Cl	0.793	0.773	0.985	0.71	0.664	0.833	0.758	0.825	0.852	0.182	0.852
Compound_43	CCCOC(=O)C=Cc1ccccc1	0.965	0.184	0.689	0.808	0.217	0.425	0.997	0.91	0.456	0.939	0.5
Compound_44	CCCCCC(=O)OC(CCC=C(C)C)(C=C)C	0.901	0.058	0.307	0.684	0.407	0.053	0.868	0.997	0.193	1.0	0.954
Compound_45	CC(CCOC(=O)C=Cc1ccccc1)C	0.972	0.176	0.915	0.814	0.266	0.443	0.992	0.757	0.248	0.884	0.271
Compound_46	CC=C(C(=O)OCC(C)C)C	0.946	0.022	0.392	0.742	0.524	0.043	0.984	0.997	0.678	0.99	0.951
Compound_47	CCOC(CC(CCCC(O)(C)C)C)OCC	0.805	0.086	0.046	0.451	0.127	0.115	0.951	0.31	0.191	0.91	0.465
Compound_48	CC(OC(=O)C=Cc1ccccc1)C	0.97	0.223	0.814	0.691	0.208	0.35	0.975	0.981	0.675	0.984	0.294
Compound_49	O=C1C2(C)CCC(C1(C)C)C2	0.976	0.492	0.256	0.428	0.216	0.101	0.035	0.064	0.176	0.972	0.417
Compound_50	CCCCCC(=O)OC(CCC=C(C)C)(C=C)C	0.901	0.058	0.307	0.684	0.407	0.053	0.868	0.997	0.193	1.0	0.954