Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCCc1ccccc1	0.9	0.12	0.443	0.557	0.124	0.149	0.999	0.926	0.972	1.0	0.528
Compound_2	CCCCCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.701	0.898	0.827	0.949	0.963	0.978	0.723
Compound_3	CCCCCCCCCCCCc1cccc(c1)S(=O)(=O)O	0.753	0.218	0.158	0.281	0.456	0.528	0.989	0.139	0.486	0.925	0.11
Compound_4	CCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.457	0.023	0.996	0.987	0.703	1.0	0.856
Compound_5	CCCCCCCCCCCC[N+](C)(C)C	0.94	0.689	0.042	0.664	0.038	0.697	0.073	0.767	0.623	0.082	0.238
Compound_6	CCCCCCCCCCCC[N+](C)(C)C	0.94	0.689	0.042	0.664	0.038	0.697	0.073	0.767	0.623	0.082	0.238
Compound_7	CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.744	0.263	0.056	0.818	0.196	0.123	0.681	0.098	0.058	0.099	0.439
Compound_8	CCCCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_9	CCCCCCCCCCCC#N	0.997	0.134	0.18	0.568	0.416	0.118	0.958	0.99	0.875	0.993	0.845
Compound_10	CCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_11	CCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.963	0.978	0.723
Compound_12	CCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_13	CCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_14	CCCCCCCCCC(=O)C	0.979	0.019	0.255	0.548	0.048	0.024	0.991	0.639	0.588	1.0	0.929
Compound_15	CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC	0.943	0.384	0.669	0.555	0.743	0.981	0.998	0.928	1.008	0.996	0.76
Compound_16	CCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_17	CCCCCCCCC(CCCCCC)CO	0.928	0.041	0.07	0.566	0.087	0.157	0.977	0.11	0.578	0.826	0.666
Compound_18	CCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_19	CCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_20	CCCCCCCC1CCC(=O)O1	0.87	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.363	0.998	0.655
Compound_21	CCCCCCCC=O	0.967	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.789	1.0	0.857
Compound_22	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.975	0.363	0.074	0.675	0.455	0.243	0.804	0.386	0.067	0.992	0.129
Compound_23	CCCCCCCC/C=C\CCCCCCCC(=O)OCC	0.97	0.009	0.758	0.724	0.438	0.112	0.999	0.972	0.079	1.0	0.942
Compound_24	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.944	0.5	0.095	0.726	0.568	0.157	0.948	0.962	0.272	0.988	0.117
Compound_25	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_26	CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)O)C	0.648	0.098	0.031	0.144	0.235	0.261	0.969	0.082	0.291	0.376	0.208
Compound_27	CCCCCCCC(OC)OC	0.953	0.041	0.286	0.546	0.055	0.078	0.997	0.978	0.747	0.996	0.881
Compound_28	CCCCCCCC(=O)OC	0.904	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.363	0.994	0.862
Compound_29	CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C/C(=C\C)/C)C=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC	0.891	0.86	0.126	0.592	0.779	0.238	0.982	0.964	0.375	0.749	0.596
Compound_30	CCCCCCCC(=O)O	0.731	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.145	0.901	0.169
Compound_31	CCCCCCCC(=O)N(C)C	0.861	0.057	0.203	0.507	0.012	0.117	0.15	0.195	0.607	0.793	0.523
Compound_32	CCCCCCc1ccc(cc1)N	0.907	0.224	0.675	0.542	0.243	0.732	0.979	0.781	0.98	0.997	0.492
Compound_33	CCCCCCC=O	0.928	0.039	0.268	0.536	0.023	0.214	0.998	0.966	0.794	1.0	0.857
Compound_34	CCCCCCC(O)C	0.92	0.036	0.059	0.562	0.067	0.044	0.92	0.525	0.259	0.972	0.523
Compound_35	CCCCCCC(S)(C)C	0.922	0.083	0.061	0.562	0.16	0.146	0.992	0.652	0.956	0.998	0.575
Compound_36	CCCCCCC(=O)OCC	0.799	0.003	0.551	0.723	0.06	0.02	0.994	0.592	0.063	0.998	0.912
Compound_37	CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.978	1.0	0.044	0.836	0.947	0.908	0.037	0.635	0.164	1.0	0.304
Compound_38	CCCCCCC(=O)O	0.526	0.007	0.188	0.131	0.032	0.003	0.966	0.13	0.067	0.901	0.169
Compound_39	CCCCCC1CCC(=O)O1	0.859	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.295	0.998	0.655
Compound_40	CCCCCC1C(CCC1=O)CC(=O)OC	0.881	0.359	0.162	0.513	0.006	0.017	0.636	0.812	0.33	0.947	0.794
Compound_41	CCCCCC[C@H]1C(=O)O[C@H](C)[C@@H](C(=O)O[C@H]([C@@H]1OC(=O)CC(C)C)C)NC(=O)c1cccc(c1O)NC=O	0.609	0.582	0.957	0.541	0.401	0.57	0.079	0.698	0.407	0.818	0.344
Compound_42	CCCCCC/C=C/CCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.484	0.018	0.989	0.101	0.075	0.98	0.253
Compound_43	CCCCCC/C(=C\c1ccccc1)/C=O	0.962	0.247	0.712	0.598	0.058	0.343	0.99	0.987	0.85	1.0	0.919
Compound_44	CCCCCC(/C=C/C=O)O	0.944	0.031	0.245	0.593	0.493	0.648	0.947	0.933	0.582	0.867	0.349
Compound_45	CCCCCC(CCC)CO	0.929	0.041	0.07	0.566	0.063	0.041	0.923	0.11	0.53	0.826	0.666
Compound_46	CCCCCC(OC(=O)COc1ccc(c2c1nccc2)Cl)C	0.625	0.645	0.564	0.628	0.373	0.386	0.267	0.856	0.522	0.869	0.761
Compound_47	CCCCCC(=O)OCC	0.746	0.003	0.551	0.723	0.06	0.028	0.987	0.592	0.059	0.998	0.912
Compound_48	CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)C	0.979	1.0	0.104	0.916	0.608	0.859	0.423	0.874	0.171	0.987	0.259
Compound_49	CCCCCC(=O)CC	0.977	0.019	0.315	0.548	0.052	0.023	0.991	0.667	0.169	1.0	0.929
Compound_50	CCCCCC(=O)C	0.943	0.024	0.255	0.548	0.016	0.01	0.986	0.639	0.56	0.996	0.908
Compound_51	CCCCCC(=Cc1ccccc1)C=O	0.948	0.245	0.712	0.598	0.046	0.269	0.981	0.987	0.791	0.999	0.893
Compound_52	CCCCCBr	0.905	0.041	0.309	0.704	0.15	0.02	0.995	0.997	0.849	1.0	0.92
Compound_53	CCCCC1CCC(=O)O1	0.897	0.361	0.104	0.58	0.073	0.09	0.999	0.13	0.274	0.998	0.527
Compound_54	CCCCc1ccccc1	0.674	0.139	0.443	0.542	0.055	0.06	0.997	0.675	0.883	0.995	0.294
Compound_55	CCCCc1ccc(cc1)N	0.767	0.273	0.675	0.531	0.18	0.669	0.998	0.604	0.959	0.978	0.383
Compound_56	CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2	0.053	0.639	0.089	0.215	0.62	0.539	0.219	0.031	0.321	0.137	0.701
Compound_57	CCCCC=O	0.826	0.081	0.268	0.536	0.026	0.176	0.997	0.966	0.818	0.982	0.837
Compound_58	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O	0.674	0.019	0.12	0.1	0.462	0.045	0.992	0.101	0.305	0.98	0.253
Compound_59	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	0.937	0.006	0.474	0.632	0.35	0.052	1.0	0.987	0.289	1.0	0.914
Compound_60	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.929	0.682	0.426	0.637	0.621	0.077	0.995	0.261	0.586	0.98	0.774
Compound_61	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.929	0.682	0.426	0.637	0.621	0.077	0.995	0.261	0.586	0.98	0.774
Compound_62	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.871	0.003	0.147	0.692	0.079	0.061	0.997	0.357	0.154	0.997	0.915
Compound_63	CCCCC(COC(=O)CCCCC(=O)OCc1ccccc1)CC	0.519	0.068	0.282	0.656	0.083	0.138	0.982	0.459	0.306	0.995	0.785
Compound_64	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.737	0.003	0.147	0.692	0.066	0.065	0.992	0.357	0.288	0.997	0.915
Compound_65	CCCCC(COC(=O)CC(S(=O)(=O)[O-])C(=O)OCC(CCCC)CC)CC	0.521	0.02	0.127	0.52	0.063	0.208	0.938	0.809	0.419	0.98	0.299
Compound_66	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.839	0.142	0.097	0.287	0.2	0.093	0.982	0.017	0.525	0.765	0.763
Compound_67	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.952	0.113	0.275	0.535	0.093	0.105	0.993	0.016	0.593	0.992	0.769
Compound_68	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.952	0.113	0.275	0.535	0.093	0.105	0.993	0.016	0.593	0.992	0.769
Compound_69	CCCCC(COC(=O)c1c(C(=O)OCC(CCCC)CC)c(Br)c(c(c1Br)Br)Br)CC	0.977	0.155	0.604	0.594	0.624	0.204	0.996	0.396	0.424	0.998	0.624
Compound_70	CCCCC(COC(=O)C=C)CC	0.99	0.013	0.178	0.753	0.701	0.356	0.996	0.977	0.933	1.0	0.93
Compound_71	CCCCC(COC(=O)C)CC	0.883	0.016	0.125	0.65	0.089	0.036	0.99	0.395	0.838	0.997	0.887
Compound_72	CCCCC(CO)CC	0.834	0.041	0.07	0.56	0.043	0.044	0.921	0.097	0.304	0.826	0.666
Compound_73	CCCCC(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1)CC	0.585	0.84	0.228	0.581	0.495	0.163	0.76	0.476	0.407	0.997	0.547
Compound_74	CCCCC(C=O)CC	0.928	0.03	0.272	0.553	0.043	0.173	0.988	0.522	0.72	1.0	0.926
Compound_75	CCCCC(C(C#C)O)CC	0.908	0.167	0.039	0.493	0.063	0.322	0.867	0.299	0.439	0.968	0.526
Compound_76	CCCCC(=O)O	0.344	0.022	0.173	0.119	0.042	0.002	0.945	0.073	0.315	0.043	0.068
Compound_77	CCCCC#N	0.942	0.16	0.18	0.568	0.199	0.045	0.921	0.99	0.798	0.924	0.841
Compound_78	CCCCC	0.909	0.063	0.309	0.578	0.039	0.01	0.992	0.989	0.933	0.998	0.799
Compound_79	CCCC1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@H](C1)O)C)C	0.952	1.0	0.041	0.974	0.83	0.908	0.326	0.797	0.333	0.421	0.415
Compound_80	CCCC1CCC(=O)O1	0.821	0.154	0.095	0.558	0.034	0.044	0.996	0.183	0.403	0.998	0.517
Compound_81	CCCc1ccccc1	0.704	0.131	0.443	0.566	0.055	0.06	0.997	0.487	0.825	0.996	0.261
Compound_82	CCCc1ccc(cc1)OC	0.638	0.084	0.509	0.7	0.133	0.526	0.969	0.303	0.703	0.947	0.341
Compound_83	CCCc1ccc(cc1)O	0.79	0.104	0.355	0.606	0.467	0.691	0.842	0.633	0.808	0.657	0.176
Compound_84	CCCc1ccc(cc1)N	0.774	0.242	0.675	0.538	0.18	0.669	0.998	0.538	0.927	0.949	0.424
Compound_85	CCCc1cc(=O)[nH]c(=S)[nH]1	0.309	0.397	0.114	0.41	0.135	0.181	0.38	0.021	0.92	0.061	0.725
Compound_86	CCCC=O	0.817	0.115	0.248	0.518	0.028	0.169	0.997	0.789	0.796	0.985	0.837
Compound_87	CCCC=NO	0.674	0.135	0.445	0.54	0.045	0.056	0.075	0.681	0.453	0.904	0.754
Compound_88	CCCC=C	0.894	0.078	0.308	0.662	0.165	0.002	0.995	0.987	0.381	0.999	0.831
Compound_89	CCCC[Sn](Cl)(Cl)Cl	0.908	0.441	0.309	0.705	0.832	0.891	0.997	0.986	0.947	0.998	0.759
Compound_90	CCCC[Sn](OC(=O)C=C)(CCCC)CCCC	0.917	0.089	0.092	0.695	0.986	0.949	0.999	1.0	0.954	1.0	0.686
Compound_91	CCCC[Sn](OC(=O)C(=C)C)(CCCC)CCCC	0.819	0.126	0.055	0.618	0.963	0.898	0.999	0.994	0.95	1.0	0.683
Compound_92	CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC	0.815	0.321	0.049	0.581	0.861	0.966	0.998	0.976	0.909	1.0	0.714
Compound_93	CCCC[Sn](CCCC)(CCCC)Cl	0.948	0.705	0.267	0.682	0.876	0.898	0.991	0.987	0.947	0.999	0.845
Compound_94	CCCC[Sn](CCCC)(CCCC)CCCC	0.961	0.514	0.327	0.598	0.875	0.963	0.998	0.988	0.938	1.0	0.71
Compound_95	CCCC[N+]1(C)CCCC1	0.299	0.606	0.038	0.627	0.033	0.079	0.025	0.377	0.58	0.052	0.261
Compound_96	CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC21CCN(CC2)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C	0.534	0.658	0.341	0.458	0.471	0.652	0.258	0.664	0.418	0.931	0.482
Compound_97	CCCC(=O)O	0.364	0.026	0.173	0.106	0.051	0.002	0.967	0.076	0.214	0.041	0.079
Compound_98	CCCC(C(=O)O)CCC	0.607	0.011	0.065	0.187	0.084	0.006	0.919	0.116	0.244	0.805	0.281
Compound_99	CCCC(C#C)O	0.762	0.156	0.054	0.463	0.043	0.177	0.91	0.247	0.499	0.487	0.35
Compound_100	CCCC(=O)OCCC(C)C	0.709	0.013	0.705	0.69	0.081	0.01	0.982	0.337	0.096	0.997	0.885