Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl	0.958	0.735	0.077	0.661	0.977	0.989	0.981	0.876	0.068	0.88	0.998
Compound_2	Nc1ccc(cc1)C1=C(Cc2c1ccc(c2)O)c1ccc(cc1)O	0.57	0.757	0.911	0.545	0.998	0.984	0.973	0.859	0.657	0.875	0.999
Compound_3	Oc1ccc2c(c1)onc2c1cc(Cl)c(cc1O)O	0.733	0.72	0.962	0.576	0.9	0.779	0.927	0.975	0.962	0.94	0.971
Compound_4	CC[C@@H](C1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=N)N)NC(=O)[C@H](CCCN=C(N)N)N)C	0.153	0.389	0.009	0.331	0.279	0.817	0.007	0.022	0.412	0.229	0.56
Compound_5	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC(c1ccc(cc1)N(CCOC1CC[C@]3([C@@H](C1)C[C@H]([C@@H]1[C@@H]3C[C@H](O)[C@]3([C@H]1CC[C@@H]3[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C)C)C1=C2CCC2=C1CCC(=O)C2	0.757	0.819	0.013	0.351	0.829	0.664	0.193	0.587	0.404	0.71	0.544
Compound_6	O[C@H]1COC([C@@H]([C@H]1O)O)n1ccc2c1cc1c(C)cc(nc1c2)C	0.416	0.685	0.824	0.516	0.123	0.654	0.368	0.332	0.477	0.57	0.586
Compound_7	CCCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN)c1ccccc1	0.423	0.531	0.123	0.548	0.955	0.989	0.04	0.322	0.328	0.015	0.196
Compound_8	CCN(CCOc1ccc(cc1)Cn1c2ccc(cc2c2c1c1ccc(cc1s2)O)O)CC	0.647	0.719	0.853	0.653	0.837	0.754	0.937	0.933	0.185	0.245	0.871
Compound_9	CCCCC1=C2c3ccc4c(c3CC2(CCC1=O)CC)nn[nH]4	0.683	0.89	0.823	0.529	0.669	0.628	0.791	0.943	0.698	0.702	0.847
Compound_10	COc1ccc2c(c1)OC(=C1C2CCOc2c1ccc(c2)O)c1ccc(cc1)OCCN1CCCCC1	0.591	0.798	0.218	0.548	0.966	0.803	0.249	0.131	0.255	0.406	0.117
Compound_11	Oc1ccc2c(c1)ccc(c2Oc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	0.448	0.517	0.617	0.677	0.97	0.861	0.279	0.957	0.428	0.95	0.652
Compound_12	CC(CC12CCC(=O)C(C2=c2c(=C1)cc(cc2)O)C)C	0.601	0.813	0.907	0.496	0.863	0.795	0.681	0.064	0.267	0.999	0.5
Compound_13	C#CC(C(c1ccc(cc1)O)C#C)c1ccc(cc1)O	0.691	0.775	0.643	0.541	0.888	0.916	0.996	0.759	0.305	0.651	0.83
Compound_14	Oc1ccc2c(c1)CCC(N2Cc1ccc(cc1)OCCN1CCCC1)c1ccc(cc1)O	0.525	0.653	0.132	0.554	0.969	0.922	0.041	0.845	0.354	0.719	0.818
Compound_15	Oc1ccc(cc1)C(=Nc1ccccc1)c1ccc(cc1)O	0.758	0.779	0.88	0.738	0.998	0.997	0.99	0.228	0.92	0.851	0.968
Compound_16	CC(CCc1c(O)cc(c2c1OC(CC2=O)c1ccc(cc1)O)O)C	0.38	0.681	0.839	0.576	0.969	0.983	0.94	0.488	0.307	0.128	0.047
Compound_17	Oc1ccc2c(c1)ccc(c2Oc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)F	0.573	0.528	0.804	0.58	0.967	0.828	0.263	0.953	0.463	0.582	0.284
Compound_18	Oc1ccc(cc1)C(=Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)O	0.664	0.678	0.907	0.805	1.0	0.986	0.994	0.854	0.626	0.523	0.985
Compound_19	NCCOc1ccc(cc1)C(=C(c1ccccc1)C)c1ccc(cc1)O	0.383	0.525	0.226	0.566	0.955	0.989	0.04	0.063	0.286	0.012	0.154
Compound_20	CC[C@H](N1CCCC1)COc1ccc(cc1)[C@@H]1Oc2ccc(cc2S[C@@H]1c1ccc(cc1)O)O	0.455	0.568	0.254	0.476	0.879	0.666	0.016	0.392	0.216	0.862	0.924
Compound_21	CC1=CC[C@@]2(C[C@H]1[C@@H](OC2(C)C)c1ccc(cc1Cl)O)O	0.841	0.699	0.045	0.542	0.99	0.743	0.202	0.863	0.615	0.944	0.932
Compound_22	O=C(CCC(=O)c1cccs1)OCC(=O)NCc1ccco1	0.174	0.569	0.247	0.433	0.194	0.626	0.184	0.534	0.406	0.442	0.483
Compound_23	Oc1ccc2c(c1)C=C(C12Cc2c(C1)cccc2)c1cccc(c1)O	0.669	0.772	0.874	0.709	1.0	0.973	0.566	0.969	0.204	0.97	1.005
Compound_24	Oc1ccc2c(c1)CC(=C2c1ccc(cc1)C(=O)C)c1ccc(cc1)O	0.77	0.696	0.624	0.556	0.992	0.99	0.812	0.888	0.416	0.979	0.96
Compound_25	C=Cc1cc(O)cc2c1oc(n2)c1c(F)cc(cc1F)O	0.537	0.612	0.939	0.628	0.841	0.633	0.488	0.994	0.673	0.611	0.849
Compound_26	CCNc1c(C=NO)ccc(c1c1ccccc1)c1ccccc1	0.505	0.698	0.958	0.66	0.563	0.781	0.967	0.342	0.433	0.92	0.869
Compound_27	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CCC[C@@H]1C	0.461	0.623	0.153	0.521	0.869	0.665	0.008	0.175	0.231	0.885	0.904
Compound_28	CCC(c1ccc(c(c1)C)O)(c1ccc(c(c1)C)N)CC	0.899	0.66	0.911	0.601	0.926	0.997	0.949	0.977	0.667	0.813	0.992
Compound_29	Oc1ccc2c(c1)onc2c1cc(Br)c(cc1O)O	0.801	0.687	0.962	0.576	0.691	0.678	0.976	0.975	0.798	0.966	0.965
Compound_30	N#Cc1cc(O)cc2c1oc(c2)c1ccc(c(c1)F)O	0.737	0.522	0.966	0.732	0.867	0.797	0.904	0.994	0.696	0.815	0.976
Compound_31	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CCC(C1)(C)C	0.45	0.653	0.155	0.529	0.894	0.684	0.03	0.387	0.236	0.601	0.915
Compound_32	Oc1ccc(cc1)[C@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@H]2O)O)C	0.889	0.869	0.032	0.474	0.978	0.954	0.225	0.5	0.08	0.949	0.5
Compound_33	CCCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O	0.401	0.67	0.459	0.583	0.962	0.978	0.905	0.415	0.428	0.303	0.065
Compound_34	C/C=C\c1cc(O)cc2c1oc(n2)c1ccc(cc1)O	0.556	0.74	0.952	0.783	0.806	0.64	0.582	0.993	0.939	0.728	0.896
Compound_35	CCc1nc2cc(O)ccc2c(c1c1ccccc1)Oc1ccc(cc1)/C=C/C(=O)NC(C)C	0.391	0.697	0.883	0.689	0.984	0.852	0.894	0.989	0.511	0.389	0.657
Compound_36	COc1ccc(cc1)[C@@H]1N(c2cc(OC)c(c(c2)OC)OC)C(=O)C1C(c1ccc(cc1)O)O	0.423	0.715	0.119	0.448	0.821	0.59	0.014	0.115	0.484	0.324	0.459
Compound_37	Oc1ccc(cc1)S(=O)(=O)N(C1CC1)CC(C(F)(F)F)(c1ccccc1)O	0.104	0.465	0.133	0.673	0.561	0.54	0.845	0.371	0.332	0.498	0.491
Compound_38	Oc1ccc2c(c1)sc1c2n(Cc2ccc(cc2)OCCN2CCCC2)c2c1cccc2	0.663	0.564	0.827	0.622	0.808	0.706	0.953	0.948	0.272	0.913	0.665
Compound_39	CC(=CCc1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)C	0.914	0.85	0.924	0.769	0.957	0.988	0.996	0.998	0.915	0.044	0.451
Compound_40	CCCCC12CCC(=O)C(C2=c2c(=C1)cc(cc2)O)CC	0.597	0.977	0.451	0.552	0.863	0.795	0.681	0.205	0.373	1.0	0.953
Compound_41	Oc1ccc2c(c1)S[C@@H]([C@@H](O2)c1ccc(cc1)OCCN1CCCCC1)C1CCCC1	0.53	0.557	0.209	0.546	0.816	0.681	0.032	0.59	0.312	0.363	0.592
Compound_42	N#Cc1cc(cc2c1c(Cl)c(cc2)O)c1ccc(cc1)O	0.953	0.713	0.946	0.684	0.983	0.701	0.895	0.992	0.83	0.91	1.001
Compound_43	Oc1ccc2c(c1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)Sc1ccc(cc1)/C=C/C(=O)N(C)C	0.614	0.887	0.224	0.671	0.95	0.917	0.789	0.926	0.355	0.848	0.542
Compound_44	CCCC1Oc2c(c3c1cc(O)cc3C)ccc(c2C)O	0.515	0.748	0.752	0.774	0.943	0.906	0.188	0.983	0.687	0.919	0.732
Compound_45	CNC(=O)c1ccc2c(c1)n1c(nnc1c(n2)C)c1cc(OCC(C)C)ccc1Cl	0.422	0.702	0.489	0.518	0.568	0.762	0.895	0.969	0.468	0.483	0.5
Compound_46	CCCC[C@]12CCC(=O)C(=C2c2c(C1)c1c(F)n[nH]c1cc2)C(F)(F)F	0.827	0.764	0.951	0.68	0.893	0.714	0.908	0.982	0.511	0.937	0.732
Compound_47	Oc1ccc(cc1)[C@H]1Oc2ccc(cc2[C@@H]2[C@H]1CCC2)O	0.487	0.689	0.19	0.784	0.991	0.929	0.183	0.968	0.157	0.874	0.868
Compound_48	Oc1ccc2c(c1)ccc(c2)c1noc2c1ccc(c2)O	0.751	0.749	0.979	0.789	0.979	0.975	0.979	0.994	0.764	0.818	0.958
Compound_49	N#CC[C@@H](c1ccc(cc1)O)Cc1ccc(cc1)O	0.571	0.753	0.176	0.585	0.962	0.847	0.992	0.853	0.375	0.179	0.93
Compound_50	NCCOc1ccc(cc1)C(=C(c1ccccc1)Cn1cnnc1)c1ccc(cc1)O	0.22	0.601	0.217	0.566	0.456	0.905	0.696	0.079	0.288	0.012	0.275
Compound_51	Oc1ccc(cc1)c1sc2c(c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)Cl)ccc(c2)O	0.688	0.437	0.236	0.748	0.932	0.753	0.903	0.964	0.428	0.389	0.641
Compound_52	Oc1ccc2c(c1)CN(CC2c1ccc(cc1)O)S(=O)(=O)c1ccccc1	0.377	0.471	0.595	0.543	0.667	0.87	0.138	0.241	0.338	0.457	0.257
Compound_53	Oc1ccc2c(c1)CCC(C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1	0.386	0.563	0.52	0.506	0.968	0.918	0.111	0.545	0.209	0.852	0.413
Compound_54	NCCOc1ccc(cc1)C(=C(c1ccc(cc1)F)CC)c1ccc(cc1)O	0.355	0.503	0.299	0.62	0.959	0.98	0.05	0.266	0.511	0.027	0.31
Compound_55	Oc1ccc(cc1)C1=C(C)c2c(C31Cc1c(C3)cccc1)ccc(c2)O	0.628	0.747	0.853	0.639	1.0	0.966	0.341	0.959	0.545	0.994	1.002
Compound_56	CCC12CCC(=O)C(C2=c2c(=C1)c1c(Cl)n[nH]c1cc2)C	0.498	0.842	0.955	0.502	0.856	0.702	0.982	0.654	0.45	0.905	0.917
Compound_57	Oc1ccc(cc1)[C@@H]1[C@@H](Oc2c([C@H]1C)c(F)c(cc2)O)c1ccc(cc1)OCCN1CCCCC1	0.409	0.592	0.064	0.535	0.939	0.704	0.104	0.639	0.243	0.825	0.609
Compound_58	Oc1ccc(cc1)c1[nH]c(nc1c1ccccc1)C(F)(F)F	0.528	0.55	0.903	0.619	0.843	0.794	0.704	0.872	0.511	0.021	0.941
Compound_59	Oc1ccc2c(c1)onc2c1ccc2c(c1)cccc2O	0.739	0.749	0.974	0.796	0.979	0.975	0.979	0.992	0.928	0.818	0.958
Compound_60	N#Cc1cc(O)c(c2c1cc(cc2)c1ccc(c(c1)F)O)C	0.939	0.602	0.915	0.74	0.98	0.829	0.607	0.996	0.6	0.869	0.965
Compound_61	Oc1ccc(cc1)c1oc2c(n1)ccc(c2)O	0.278	0.718	0.977	0.838	0.777	0.648	0.609	0.992	0.957	0.795	0.919
Compound_62	Cc1cc(C)c2c(c1)c(=O)oc1c2ccc(c1C)O	0.837	0.725	0.973	0.52	0.938	0.996	0.987	0.98	0.794	0.204	0.653
Compound_63	Oc1ccc2c(c1C)oc(=O)c1c2c(C)cc(c1C)O	0.888	0.745	0.878	0.536	0.94	0.995	0.964	0.983	0.964	0.218	0.815
Compound_64	Oc1cc(F)c(c(c1)F)c1ccc2c(c1)ccc(c2Cl)O	0.971	0.637	0.943	0.765	0.983	0.826	0.953	0.98	0.724	0.992	0.993
Compound_65	Oc1ccc2c(c1)cccc2c1oc2c(n1)cc(c(c2)O)F	0.38	0.559	0.895	0.661	0.866	0.669	0.89	0.989	0.909	0.866	0.929
Compound_66	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CCC[C@H]1C	0.461	0.623	0.153	0.521	0.869	0.665	0.008	0.175	0.231	0.885	0.904
Compound_67	Oc1ccc2c(c1)onc2c1ccc(c(c1)Cl)O	0.761	0.716	0.962	0.695	0.956	0.803	0.954	0.983	0.896	0.877	0.986
Compound_68	Oc1ccc2c(c1)CN(CC2c1ccc(cc1)O)Cc1ccccc1	0.208	0.602	0.709	0.32	0.874	0.906	0.033	0.817	0.362	0.668	0.407
Compound_69	Oc1ccc2c(c1)CO[C@@H]([C@@H]2c1ccc(cc1)OCCN1CCCC1)c1ccccc1	0.427	0.615	0.582	0.487	0.926	0.622	0.052	0.618	0.228	0.538	0.447
Compound_70	CCc1cc(nc2c1cc(O)cc2)c1ccc(c(c1)F)O	0.768	0.556	0.913	0.644	0.987	0.932	0.872	0.973	0.691	0.509	0.918
Compound_71	Oc1ccc2c(c1)ccc(c2Cc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	0.273	0.527	0.632	0.697	0.944	0.924	0.234	0.935	0.437	0.466	0.469
Compound_72	Oc1ccc(cc1)c1nn2c(c1c1ccc(cc1)OCCN1CCCCC1)nc(cc2C(F)(F)F)C(F)(F)F	0.396	0.641	0.04	0.676	0.926	0.8	0.955	0.885	0.23	0.119	0.605
Compound_73	CCC(=C(c1ccc(cc1)O)c1ccc(cc1)/C=C/C(=O)NCCNC(=O)/C=C/c1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O)c1ccccc1	0.505	0.661	0.082	0.481	0.967	0.986	0.478	0.913	0.548	0.277	0.23
Compound_74	Fc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)O	0.919	0.697	0.913	0.732	0.979	0.922	0.998	0.989	0.574	0.164	0.969
Compound_75	Cl/C=C\[C@]12CC[C@@H](CC1=CCC1C2CC[C@]2(C1CC[C@@H]2O)C)O	0.942	1.0	0.118	0.89	0.994	0.926	0.115	0.993	0.303	0.993	0.663
Compound_76	Oc1ccc(cc1)c1oc2c(c1)cc(cc2Cl)O	0.701	0.687	0.977	0.773	0.878	0.774	0.862	0.993	0.815	0.916	0.977
Compound_77	NCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O	0.338	0.531	0.123	0.572	0.955	0.989	0.04	0.099	0.277	0.014	0.279
Compound_78	Oc1ccc(c(c1)Cl)c1ccc2c(c1)ccc(c2)O	0.948	0.761	0.949	0.718	0.995	0.915	0.927	0.984	0.768	0.98	0.992
Compound_79	CCSC1=C(c2ccc(cc2)O)C(=O)c2c1ccc(c2)O	0.658	0.691	0.902	0.591	0.961	0.825	0.983	0.831	0.302	0.986	0.98
Compound_80	CN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(cc2S[C@@H]1c1ccc(cc1)O)O	0.52	0.697	0.328	0.354	0.892	0.706	0.103	0.015	0.443	0.035	0.541
Compound_81	CC[C@]12CCC(=O)C(=C2c2c(C1)c1c(F)n[nH]c1cc2)C(F)(F)F	0.807	0.816	0.951	0.674	0.886	0.709	0.914	0.981	0.502	0.62	0.8
Compound_82	CC[C@@]12Cc3c(C2=C(C(=O)CC1)Br)ccc1c3cn[nH]1	0.788	0.806	0.91	0.656	0.768	0.659	0.669	0.937	0.545	0.826	0.852
Compound_83	N#Cc1cc(O)cc2c1oc(n2)c1ccc(c(c1)F)O	0.479	0.577	0.971	0.687	0.809	0.642	0.289	0.991	0.848	0.812	0.968
Compound_84	CCCCC12CCC(=O)C(C2=c2c(=C1)cc(cc2)O)C#N	0.61	0.861	0.328	0.576	0.924	0.652	0.643	0.628	0.518	0.938	0.919
Compound_85	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1)c1ccc(cc1)O	0.652	0.507	0.918	0.721	0.942	0.783	0.938	0.849	0.511	0.093	0.672
Compound_86	N#Cc1c(O)cc(c2c1ccc(c2)c1ccc(c(c1)F)O)C#N	0.975	0.653	0.953	0.751	0.982	0.837	0.837	0.998	0.601	0.903	0.991
Compound_87	C=C[C@]12CCC(=CC1=CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C#C)C)C	0.938	0.98	0.031	0.458	0.953	0.867	0.042	0.835	0.476	0.991	0.477
Compound_88	Oc1ccc(c(c1)O)c1oc2c(n1)cc(cc2)O	0.342	0.716	0.976	0.824	0.809	0.645	0.61	0.985	0.773	0.828	0.904
Compound_89	Oc1ccc(cc1)C1=C(c2ccc(cc2)F)c2c(C1)cc(cc2)O	0.684	0.655	0.571	0.619	0.994	0.856	0.981	0.891	0.761	0.988	0.989
Compound_90	Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)OCCN1CC2CC1CO2	0.497	0.533	0.17	0.467	0.874	0.66	0.008	0.351	0.241	0.975	0.913
Compound_91	Oc1ccc(cc1)c1sc2c(c1)ccc(c2)O	0.889	0.785	0.976	0.858	0.8	0.753	0.912	0.983	0.874	0.934	0.566
Compound_92	Oc1ccc(cc1)n1cc(c2ccccc2)c2c(c1=O)c(O)cc(c2)O	0.781	0.808	0.749	0.694	0.988	0.98	0.936	0.963	0.907	0.264	0.674
Compound_93	N#C[C@H](c1ccc(cc1)O)Cc1ccc(cc1)O	0.619	0.788	0.354	0.589	0.946	0.803	0.995	0.8	0.374	0.268	0.943
Compound_94	Oc1ccc(cc1)C1=C(C)c2c(C1=O)cc(cc2)O	0.736	0.733	0.76	0.596	0.952	0.916	0.925	0.88	0.666	0.987	0.983
Compound_95	CCc1c(oc(c1c1ccc(cc1)OCCN1CCCCC1)c1ccccc1)c1ccc(cc1)O	0.084	0.492	0.735	0.741	0.64	0.894	0.933	0.846	0.612	0.053	0.276
Compound_96	CCCCC(c1ccccc1)(CN(S(=O)(=O)c1ccc(cc1)O)C1CC1)O	0.133	0.534	0.136	0.536	0.347	0.494	0.013	0.154	0.34	0.4	0.208