Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O	0.952	0.874	0.883	0.489	0.925	0.858	0.828	0.106	0.95	0.199	0.953
Compound_2	CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC	0.934	0.514	0.921	0.297	0.5	0.671	0.527	0.952	0.401	0.89	0.824
Compound_3	CC(c1c(C)n(n(c1=O)c1ccccc1)C)C	0.163	0.402	0.031	0.329	0.094	0.16	0.037	0.006	0.586	0.17	0.319
Compound_4	OC1CC2CCC(C1C(=O)O)N2C	0.337	0.331	0.003	0.086	0.013	0.056	0.005	0.363	0.019	0.047	0.052
Compound_5	CN(C(CN1c2ccccc2Sc2c1nccc2)C)C	0.159	0.381	0.148	0.229	0.659	0.098	0.028	0.109	0.329	0.017	0.116
Compound_6	CC=CC(=O)N(c1ccccc1C)CC	0.106	0.269	0.207	0.481	0.066	0.098	0.045	0.056	0.668	0.934	0.333
Compound_7	Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1	0.177	0.615	0.022	0.202	0.083	0.744	0.029	0.043	0.598	0.067	0.076
Compound_8	CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C	0.036	0.192	0.01	0.125	0.164	0.098	0.003	0.017	0.058	0.006	0.245
Compound_9	OC(=O)CNC(=O)c1ccccc1O	0.126	0.41	0.158	0.306	0.052	0.063	0.13	0.05	0.062	0.024	0.024
Compound_10	CN(CCc1c[nH]c2c1cc(O)cc2)C	0.171	0.565	0.411	0.341	0.473	0.66	0.002	0.147	0.314	0.28	0.268
Compound_11	OC(c1ccccc1)C(N)C	0.011	0.166	0.079	0.232	0.003	0.029	0.001	0.011	0.056	0.045	0.172
Compound_12	CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC	0.058	0.243	0.897	0.233	0.299	0.118	0.003	0.021	0.189	0.003	0.241
Compound_13	CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O	0.959	0.573	0.468	0.613	0.956	0.364	0.867	0.977	0.145	0.989	0.465
Compound_14	CC(N=C(N=C(Nc1ccc(cc1)Cl)N)N)C	0.662	0.314	0.57	0.535	0.409	0.86	0.029	0.809	0.488	0.033	0.047
Compound_15	Nc1ccncc1	0.136	0.27	0.682	0.568	0.051	0.111	0.012	0.028	0.897	0.891	0.087
Compound_16	OC1CC2C(C1(C)CC2)(C)C	0.919	0.745	0.025	0.553	0.48	0.122	0.068	0.254	0.293	0.974	0.483
Compound_17	OC1CCC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O	0.544	0.755	0.012	0.259	0.212	0.178	0.004	0.062	0.024	0.039	0.506
Compound_18	CCC(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)OC(=O)C	0.498	0.629	0.033	0.15	0.174	0.437	0.003	0.239	0.269	0.005	0.368
Compound_19	CCOC(c1ccccc1)(c1ccccc1)C(=O)OCCN(C)C	0.051	0.459	0.028	0.213	0.056	0.08	0.014	0.004	0.273	0.0	0.027
Compound_20	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1	0.655	0.47	0.465	0.395	0.183	0.107	0.004	0.619	0.262	0.039	0.335
Compound_21	CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C	0.053	0.468	0.002	0.251	0.114	0.034	0.02	0.006	0.129	0.0	0.004
Compound_22	OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1	0.238	0.435	0.134	0.144	0.195	0.098	0.002	0.446	0.207	0.136	0.056
Compound_23	Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C	0.06	0.197	0.021	0.118	0.253	0.425	0.001	0.018	0.156	0.001	0.085
Compound_24	CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)O	0.094	0.521	0.011	0.189	0.018	0.114	0.035	0.038	0.035	0.074	0.11
Compound_25	CNc1c(C)n(n(c1=O)c1ccccc1)C	0.059	0.323	0.285	0.276	0.148	0.092	0.004	0.043	0.624	0.177	0.21
Compound_26	COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)O	0.331	0.795	0.533	0.527	0.932	0.545	0.331	0.344	0.334	0.023	0.622
Compound_27	O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C	0.878	0.978	0.018	0.72	0.898	0.831	0.006	0.919	0.058	0.97	0.349
Compound_28	CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O	0.086	0.704	0.751	0.29	0.5	0.533	0.023	0.04	0.416	0.28	0.596
Compound_29	CN(C(C=C(c1cccs1)c1cccs1)C)C	0.422	0.566	0.391	0.345	0.266	0.839	0.588	0.952	0.716	0.962	0.936
Compound_30	OC(COc1cccc2c1cccc2)CNC(C)C	0.005	0.548	0.156	0.114	0.138	0.03	0.484	0.0	0.232	0.064	0.058
Compound_31	Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1	0.053	0.306	0.014	0.055	0.354	0.438	0.009	0.028	0.185	0.003	0.342
Compound_32	Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C	0.026	0.468	0.044	0.156	0.003	0.037	0.005	0.005	0.807	0.011	0.027
Compound_33	CCC(C(c1ccc(c(c1)O)O)O)NC(C)C	0.041	0.184	0.075	0.171	0.049	0.005	0.0	0.036	0.039	0.062	0.025
Compound_34	COc1ccccc1OCC(COC(=O)N)O	0.053	0.407	0.048	0.181	0.152	0.064	0.01	0.009	0.186	0.014	0.042
Compound_35	CC(OC(=O)c1ccccc1)CNC1CCCCC1	0.022	0.406	0.031	0.173	0.035	0.061	0.002	0.015	0.058	0.04	0.008
Compound_36	CCc1nccc(c1)C(=S)N	0.078	0.295	0.1	0.326	0.026	0.587	0.001	0.061	0.527	0.068	0.31
Compound_37	CNC(Cc1ccccc1)C	0.023	0.121	0.333	0.257	0.004	0.068	0.003	0.011	0.379	0.245	0.017
Compound_38	CCCCOC(=O)C=Cc1ccccc1	0.972	0.191	0.481	0.833	0.257	0.449	0.995	0.94	0.648	0.94	0.557
Compound_39	CC1CCCCCCCCCCCCC(=O)C1	0.979	0.127	0.23	0.43	0.061	0.025	0.993	0.553	0.352	0.999	0.766
Compound_40	CC(C12CCC(C2C1)(C)O)C	0.902	0.599	0.063	0.459	0.648	0.35	0.122	0.514	0.4	0.623	0.286
Compound_41	CCOC(=O)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2	0.667	0.598	0.814	0.625	0.234	0.651	0.974	0.287	0.554	0.727	0.978
Compound_42	Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(=O)[nH]c2c1cccc2	0.675	0.487	0.202	0.122	0.22	0.85	0.023	0.065	0.058	0.011	0.161
Compound_43	CCC(=O)N(c1ccccc1)CC(N(CCc1ccccc1)C)C	0.11	0.595	0.047	0.077	0.12	0.724	0.024	0.01	0.079	0.494	0.284
Compound_44	Oc1ccccc1C(=O)Oc1ccccc1C(=O)O	0.646	0.767	0.108	0.454	0.628	0.094	0.921	0.093	0.511	0.142	0.826
Compound_45	CC(=O)N=c1sc(nn1C)S(=O)(=O)N	0.053	0.261	0.004	0.13	0.236	0.256	0.002	0.074	0.058	0.004	0.087
Compound_46	OC(=O)C(Cc1ccc(c(c1)O)O)(N)C	0.23	0.085	0.034	0.237	0.093	0.054	0.431	0.014	0.215	0.001	0.001
Compound_47	CN(Cc1ccccc1)CC#C	0.357	0.309	0.071	0.053	0.007	0.407	0.009	0.015	0.563	0.663	0.108
Compound_48	CC(=O)OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC(=O)C	0.739	0.707	0.026	0.198	0.276	0.211	0.084	0.339	0.21	0.369	0.641
Compound_49	CC1=CCC(CC1)(O)C(C)C	0.892	0.224	0.118	0.505	0.231	0.059	0.061	0.769	0.445	0.94	0.855
Compound_50	CC(=O)C(C)C	0.873	0.095	0.349	0.49	0.017	0.003	0.903	0.101	0.198	0.994	0.87
Compound_51	COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC	0.471	0.683	0.838	0.782	0.977	0.996	0.066	0.047	0.854	0.96	1.0
Compound_52	Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C	0.053	0.553	0.338	0.063	0.412	0.862	0.003	0.911	0.517	0.03	0.087
Compound_53	O=C1OC(=Cc2ccccc2)c2c1cccc2	0.754	0.571	0.851	0.632	0.291	0.583	0.999	0.233	0.611	0.985	0.862
Compound_54	Cc1cccc(c1O)C	0.544	0.093	0.436	0.577	0.088	0.209	0.121	0.887	0.829	0.948	0.343
Compound_55	OC(c1cc(O)cc(c1)O)CNC(C)C	0.023	0.253	0.005	0.024	0.029	0.004	0.001	0.005	0.442	0.0	0.005
Compound_56	OCCCC(=O)O	0.296	0.109	0.077	0.149	0.064	0.051	0.949	0.176	0.116	0.004	0.096
Compound_57	O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C	0.972	1.0	0.047	0.933	0.633	0.915	0.427	0.995	0.058	0.955	0.087
Compound_58	OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O	0.178	0.161	0.134	0.278	0.484	0.098	0.396	0.035	0.444	0.009	0.187
Compound_59	O=C1Nc2ccc(cc2C(=NC1O)c1ccccc1)Cl	0.77	0.796	0.926	0.682	0.563	0.798	0.477	0.691	0.763	0.773	0.902
Compound_60	CCOCCOC(=O)c1ccccc1C(=O)OCCOCC	0.716	0.114	0.952	0.554	0.119	0.048	0.992	0.009	0.473	0.939	0.786
Compound_61	O=C(c1ccc(cc1)O)c1ccc(cc1)O	0.955	0.794	0.792	0.782	0.905	0.996	0.993	0.633	0.938	0.265	0.881
Compound_62	COc1ccc(cc1N)N	0.653	0.361	0.982	0.624	0.059	0.224	0.908	0.917	0.893	0.911	0.814
Compound_63	SCC(C(=O)O)NC(=O)C	0.003	0.117	0.005	0.106	0.105	0.023	0.001	0.018	0.213	0.004	0.068
Compound_64	CCc1cccc(c1)O	0.782	0.116	0.715	0.662	0.375	0.042	0.948	0.923	0.254	0.618	0.108
Compound_65	CCCCCC(=O)OCCCC	0.751	0.003	0.251	0.736	0.06	0.028	0.987	0.649	0.554	0.998	0.912
Compound_66	CC1N(C)CCOC1c1ccccc1	0.019	0.354	0.093	0.092	0.005	0.05	0.0	0.006	0.12	0.001	0.102
Compound_67	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_68	C=CC1(C)CCC(CC1C(=C)C)C(O)(C)C	0.903	0.288	0.222	0.565	0.594	0.052	0.456	0.992	0.424	0.948	0.855
Compound_69	OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C	0.824	0.627	0.436	0.262	0.872	0.513	0.992	0.03	0.638	0.701	0.918
Compound_70	CN(c1nc(nc(n1)N(C)C)N(C)C)C	0.78	0.318	0.18	0.365	0.149	0.047	0.001	0.145	0.856	0.74	0.087
Compound_71	CSCCC(=O)O	0.256	0.07	0.058	0.155	0.162	0.012	0.982	0.147	0.197	0.006	0.218
Compound_72	CNNCc1ccc(cc1)C(=O)NC(C)C	0.053	0.213	0.633	0.309	0.02	0.874	0.009	0.156	0.283	0.025	0.143
Compound_73	Oc1ccc(cc1)CC(C(=O)O)(N)C	0.077	0.115	0.037	0.243	0.093	0.298	0.44	0.003	0.285	0.0	-0.0
Compound_74	CCCCCCCC1CCCC(=O)O1	0.875	0.273	0.104	0.58	0.088	0.035	0.993	0.13	0.166	0.988	0.213
Compound_75	CCCNC(C(=O)Nc1ccccc1C)C	0.053	0.338	0.114	0.15	0.036	0.014	0.001	0.012	0.352	0.346	0.087
Compound_76	Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.047	0.166	0.016	0.068	0.236	0.37	0.011	0.004	0.058	0.001	0.087
Compound_77	Nc1ccc(cc1)S(=O)(=O)Nc1oc(c(n1)C)C	0.076	0.182	0.019	0.091	0.356	0.581	0.009	0.025	0.059	0.001	0.157
Compound_78	O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2=O)C	0.997	0.99	0.381	0.773	0.89	0.884	0.015	0.877	0.092	0.999	0.455
Compound_79	COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC	0.053	0.385	0.254	0.415	0.178	0.155	0.01	0.021	0.948	0.007	0.699
Compound_80	CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C	0.053	0.772	0.022	0.057	0.663	0.58	0.981	0.01	0.188	0.865	0.24
Compound_81	CCCCCC(C=CC1C(O)CC(=O)C1CCCCCCC(=O)O)O	0.943	0.759	0.078	0.083	0.905	0.443	0.315	0.122	0.058	0.956	0.087
Compound_82	CC(=C)CCO	0.759	0.139	0.147	0.511	0.039	0.003	0.684	0.808	0.215	0.275	0.867
Compound_83	NC12CC3CC(C2)CC(C1)C3	0.375	0.307	0.098	0.306	0.098	0.565	0.036	0.015	0.331	0.414	0.087
Compound_84	Clc1cc(Cl)c2c(c1O)nccc2	0.853	0.666	0.818	0.274	0.584	0.616	0.133	0.561	0.95	0.998	0.998
Compound_85	CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C	0.072	0.426	0.169	0.164	0.492	0.386	0.001	0.014	0.184	0.006	0.385
Compound_86	C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12	0.986	1.0	0.058	0.76	0.924	0.898	0.037	0.967	0.735	0.997	0.328
Compound_87	Oc1ccccc1C(=O)c1ccccc1O	0.925	0.788	0.949	0.805	0.65	0.802	0.975	0.969	0.511	0.735	0.9
Compound_88	C1CN=C(N1)Cc1cccc2c1cccc2	0.025	0.196	0.17	0.128	0.005	0.098	0.006	0.013	0.474	0.021	0.066
Compound_89	O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2=O)C)C	0.979	0.865	0.121	0.534	0.791	0.793	0.025	0.465	0.097	0.978	0.909
Compound_90	Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl	0.738	0.796	0.975	0.708	0.644	0.799	0.428	0.774	0.726	0.773	0.902
Compound_91	Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1	0.848	0.812	0.711	0.737	0.604	0.871	0.569	0.265	0.787	0.83	0.653
Compound_92	CC(=C)C(=O)OCCO	0.908	0.205	0.046	0.644	0.378	0.113	0.889	0.919	0.626	0.951	0.744
Compound_93	CC1CC(=O)CC(C1)(C)C	0.943	0.191	0.154	0.373	0.068	0.029	0.724	0.525	0.502	0.995	0.423
Compound_94	OC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.076	0.163	0.281	0.313	0.093	0.043	0.064	0.005	0.058	0.077	0.087