Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	C=O	0.873	0.216	0.407	0.494	0.449	0.283	0.791	0.904	0.901	0.998	0.893
Compound_2	CC=O	0.832	0.24	0.402	0.495	0.032	0.489	0.966	0.746	0.896	0.997	0.859
Compound_3	OC=O	0.71	0.112	0.199	0.27	0.475	0.302	0.512	0.652	0.814	0.123	0.777
Compound_4	CCl	0.907	0.1	0.433	0.553	0.604	0.08	0.979	0.932	0.92	0.996	0.853
Compound_5	O=CC#N	0.92	0.313	0.273	0.489	0.071	0.665	0.701	0.994	0.921	0.984	0.902
Compound_6	C=CC=O	0.914	0.199	0.557	0.625	0.279	0.618	0.999	0.999	0.918	1.0	0.908
Compound_7	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_8	CCC=O	0.826	0.159	0.248	0.478	0.035	0.38	0.997	0.742	0.811	0.987	0.862
Compound_9	CC(=O)C	0.872	0.11	0.435	0.504	0.029	0.016	0.974	0.4	0.902	0.985	0.856
Compound_10	OCC=O	0.545	0.102	0.105	0.449	0.034	0.708	0.736	0.272	0.511	0.051	0.865
Compound_11	NC(=O)O	0.364	0.096	0.254	0.29	0.629	0.065	0.032	0.684	0.434	0.004	0.239
Compound_12	CN(=O)=O	0.756	0.083	0.148	0.481	0.411	0.153	0.373	0.958	0.913	0.997	0.814
Compound_13	CC(C#N)C	0.889	0.177	0.217	0.493	0.091	0.016	0.9	0.7	0.711	0.969	0.875
Compound_14	C/C=C/C=O	0.905	0.218	0.552	0.568	0.152	0.189	0.999	0.981	0.965	1.0	0.882
Compound_15	CC(=C)C=O	0.922	0.223	0.473	0.53	0.058	0.072	0.99	0.984	0.902	1.0	0.981
Compound_16	O=CC(=O)C	0.848	0.133	0.387	0.497	0.045	0.484	0.996	0.567	0.693	0.938	0.91
Compound_17	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_18	O=CC(C)C	0.826	0.108	0.336	0.489	0.026	0.155	0.989	0.287	0.745	0.983	0.871
Compound_19	CCC(=O)C	0.873	0.086	0.293	0.505	0.02	0.006	0.976	0.332	0.341	0.986	0.859
Compound_20	O=CC(=O)O	0.429	0.031	0.049	0.207	0.043	0.6	0.691	0.677	0.383	0.056	0.701
Compound_21	O=NN(C)C	0.516	0.089	0.405	0.465	0.155	0.094	0.065	0.837	0.803	0.98	0.677
Compound_22	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_23	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_24	CNCCl	0.39	0.059	0.146	0.437	0.245	0.021	0.016	0.744	0.929	0.381	0.67
Compound_25	CC(C#N)CC	0.929	0.181	0.13	0.481	0.166	0.027	0.8	0.675	0.715	0.984	0.908
Compound_26	CC(CC#N)C	0.928	0.136	0.411	0.474	0.166	0.027	0.8	0.55	0.661	0.832	0.857
Compound_27	ClCCl	0.923	0.079	0.518	0.607	0.662	0.305	0.886	0.983	0.947	0.999	0.885
Compound_28	CC(=O)C(=O)C	0.897	0.129	0.435	0.504	0.021	0.006	0.992	0.475	0.376	0.841	0.914
Compound_29	CCCC(=O)C	0.884	0.043	0.236	0.538	0.019	0.006	0.974	0.262	0.603	0.979	0.868
Compound_30	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_31	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_32	O=CCC(C)C	0.817	0.063	0.712	0.476	0.024	0.098	0.989	0.37	0.627	0.947	0.817
Compound_33	CC(C=O)CC	0.817	0.093	0.214	0.471	0.024	0.098	0.989	0.246	0.741	0.993	0.87
Compound_34	CC(=O)N(C)C	0.26	0.075	0.349	0.49	0.007	0.009	0.018	0.101	0.663	0.666	0.389
Compound_35	OC(=O)C(=O)C	0.487	0.062	0.046	0.192	0.031	0.012	0.937	0.176	0.081	0.146	0.43
Compound_36	CN(N=O)CC	0.17	0.067	0.206	0.432	0.024	0.095	0.011	0.708	0.659	0.604	0.639
Compound_37	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_38	CC(=O)C(O)C	0.597	0.116	0.058	0.479	0.016	0.028	0.953	0.046	0.328	0.202	0.65
Compound_39	CC(C(=O)O)C	0.402	0.046	0.055	0.165	0.054	0.002	0.94	0.104	0.057	0.09	0.516
Compound_40	OC(=O)C(=O)O	0.552	0.056	0.387	0.266	0.122	0.035	0.016	0.555	0.113	0.031	0.645
Compound_41	OCC(=O)CO	0.668	0.1	0.094	0.439	0.028	0.116	0.346	0.101	0.314	0.103	0.399
Compound_42	ClC(=C)C=O	0.955	0.222	0.407	0.644	0.43	0.622	1.0	1.0	0.96	1.0	0.983
Compound_43	Cc1ccccc1	0.899	0.155	0.819	0.559	0.02	0.02	0.991	0.822	0.943	0.998	0.136
Compound_44	CC(=O)CCl	0.95	0.08	0.435	0.667	0.382	0.098	0.997	0.997	0.811	0.994	0.971
Compound_45	Nc1ccccc1	0.883	0.248	0.968	0.652	0.061	0.137	0.99	0.974	0.959	0.989	0.457
Compound_46	NC(=O)CCl	0.353	0.024	0.034	0.366	0.172	0.024	0.848	0.704	0.801	0.674	0.785
Compound_47	OC(=O)CCl	0.68	0.046	0.051	0.438	0.101	0.011	0.895	0.998	0.881	0.077	0.835
Compound_48	ClCN(=O)=O	0.757	0.121	0.531	0.639	0.587	0.21	0.629	0.999	0.963	0.949	0.846
Compound_49	O=Cc1ccco1	0.448	0.19	0.48	0.492	0.008	0.098	0.935	0.984	0.628	0.902	0.817
Compound_50	CC1CCC(=O)C1	0.914	0.234	0.212	0.427	0.023	0.015	0.902	0.438	0.269	0.983	0.713
Compound_51	CCC/C=C/C=O	0.883	0.134	0.248	0.593	0.168	0.254	0.998	0.944	0.949	0.999	0.857
Compound_52	ClCCCl	0.896	0.063	0.433	0.611	0.316	0.124	0.952	0.983	0.978	0.998	0.933
Compound_53	O=C1CCCN1C	0.212	0.38	0.239	0.463	0.007	0.023	0.042	0.103	0.407	0.033	0.228
Compound_54	CN(Cl)Cl	0.736	0.182	0.21	0.55	0.524	0.121	0.615	0.793	0.899	0.99	0.641
Compound_55	O=NN1CCCC1	0.092	0.303	0.167	0.455	0.024	0.219	0.016	0.921	0.645	0.454	0.441
Compound_56	CCCC(=O)CC	0.933	0.024	0.293	0.538	0.02	0.009	0.983	0.262	0.176	0.996	0.908
Compound_57	CCCCC(=O)C	0.914	0.031	0.255	0.548	0.018	0.009	0.982	0.639	0.503	0.977	0.889
Compound_58	CCCCCC=O	0.892	0.046	0.268	0.536	0.024	0.211	0.997	0.966	0.751	0.997	0.849
Compound_59	CCCCCCC	0.969	0.047	0.309	0.578	0.06	0.021	0.994	0.989	0.972	1.0	0.819
Compound_60	CC(=O)CC(=O)O	0.414	0.029	0.053	0.094	0.064	0.015	0.965	0.106	0.473	0.025	0.083
Compound_61	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_62	CC(CC(=O)O)C	0.364	0.026	0.009	0.133	0.044	0.001	0.955	0.024	0.132	0.025	0.154
Compound_63	CCN(N=O)CC	0.137	0.101	0.206	0.442	0.014	0.059	0.011	0.708	0.742	0.897	0.639
Compound_64	OC(=O)CC(=O)O	0.458	0.053	0.052	0.203	0.117	0.048	0.023	0.836	0.583	0.006	0.242
Compound_65	C=Cc1ccccc1	0.97	0.287	0.612	0.583	0.051	0.076	0.998	0.976	0.917	0.997	0.419
Compound_66	O=Cc1ccccc1	0.922	0.151	0.403	0.538	0.014	0.201	0.998	0.121	0.928	0.989	0.645
Compound_67	O=C1C=CC(=O)C=C1	0.912	0.223	0.637	0.661	0.216	0.144	0.927	0.963	0.953	0.991	0.811
Compound_68	COc1ccccc1	0.898	0.108	0.808	0.681	0.05	0.029	0.975	0.033	0.927	0.962	0.205
Compound_69	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_70	Oc1ccccc1O	0.927	0.135	0.819	0.612	0.494	0.018	0.962	0.91	0.852	0.947	0.647
Compound_71	Oc1ccc(cc1)O	0.926	0.165	0.846	0.588	0.393	0.113	0.958	0.283	0.91	0.142	0.466
Compound_72	CCCCCCC#N	0.982	0.134	0.18	0.568	0.22	0.067	0.965	0.99	0.837	0.993	0.845
Compound_73	Cc1c(CO)nc[nH]1	0.276	0.274	0.046	0.289	0.129	0.661	0.003	0.242	0.364	0.001	0.552
Compound_74	CCCC=CC(=O)C	0.92	0.082	0.251	0.625	0.145	0.013	0.935	0.536	0.965	0.999	0.902
Compound_75	O=CC(Cl)Cl	0.927	0.085	0.407	0.584	0.247	0.902	0.974	1.0	0.826	0.999	0.983
Compound_76	ClCC(Cl)C	0.913	0.115	0.523	0.649	0.377	0.187	0.999	0.99	0.871	0.998	0.865
Compound_77	CN1C(=O)CCC1=O	0.247	0.279	0.186	0.454	0.025	0.037	0.192	0.05	0.574	0.033	0.402
Compound_78	O=CCCCC(=O)C	0.891	0.022	0.238	0.452	0.002	0.113	0.992	0.55	0.55	0.79	0.885
Compound_79	O=NN1CCCCC1	0.127	0.257	0.167	0.455	0.011	0.266	0.004	0.921	0.765	0.375	0.274
Compound_80	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_81	OC(=O)/C=C\C(=O)O	0.766	0.07	0.047	0.233	0.55	0.059	0.928	0.377	0.873	0.317	0.843
Compound_82	O=NN1CCOCC1	0.061	0.29	0.175	0.443	0.025	0.053	0.009	0.885	0.493	0.156	0.297
Compound_83	CC(C(=O)C(=O)O)C	0.395	0.069	0.033	0.18	0.018	0.004	0.92	0.212	0.039	0.052	0.493
Compound_84	CCCCCC(=O)O	0.428	0.012	0.188	0.131	0.032	0.004	0.921	0.13	0.096	0.28	0.121
Compound_85	OCCCCC(=O)C	0.65	0.117	0.089	0.523	0.028	0.041	0.94	0.176	0.289	0.081	0.153
Compound_86	c1ccc2c(c1)[nH]cc2	0.694	0.557	0.971	0.517	0.231	0.666	0.018	0.814	0.971	0.979	0.867
Compound_87	N#CCc1ccccc1	0.83	0.217	0.616	0.572	0.275	0.097	0.998	0.882	0.918	0.917	0.821
Compound_88	O=C(C(=O)O)C(=O)O	0.54	0.093	0.066	0.204	0.135	0.073	0.054	0.801	0.08	0.022	0.536
Compound_89	OC(=O)CCC(=O)O	0.35	0.024	0.047	0.193	0.067	0.02	0.302	0.199	0.557	0.002	0.105
Compound_90	CCCCOCCO	0.71	0.201	0.063	0.578	0.066	0.141	0.951	0.592	0.29	0.879	0.622
Compound_91	ClC(Cl)Cl	0.92	0.088	0.324	0.575	0.662	0.305	0.886	0.983	0.544	1.0	0.863
Compound_92	BrCC#N	0.924	0.202	0.273	0.649	0.17	0.086	0.772	0.999	0.835	0.989	0.938
Compound_93	OC(C(=O)O)C(=O)O	0.405	0.112	0.026	0.168	0.085	0.13	0.034	0.708	0.117	0.028	0.5
Compound_94	O=CCc1ccccc1	0.537	0.119	0.654	0.522	0.036	0.252	1.0	0.532	0.854	0.948	0.638
Compound_95	CC(=O)c1ccccc1	0.935	0.144	0.762	0.543	0.027	0.174	0.907	0.476	0.92	0.989	0.384
Compound_96	ClN(Cl)Cl	0.908	0.182	0.732	0.576	0.718	0.067	0.748	0.864	0.97	0.999	0.695
Compound_97	OC(=O)C(C=C)Cl	0.772	0.056	0.106	0.478	0.474	0.007	0.996	0.988	0.621	0.863	0.913
Compound_98	NC(=O)c1ccccc1	0.73	0.18	0.172	0.29	0.001	0.124	0.914	0.001	0.744	0.37	0.168
Compound_99	O=Cc1ccc(cc1)O	0.865	0.159	0.334	0.639	0.357	0.903	0.951	0.355	0.909	0.066	0.273
Compound_100	OC(=O)c1ccccc1	0.595	0.09	0.484	0.375	0.038	0.038	0.978	0.229	0.692	0.033	0.141
Compound_101	O=Cc1ccccc1O	0.797	0.217	0.474	0.666	0.116	0.251	0.836	0.52	0.784	0.633	0.468
Compound_102	BrCC=O	0.858	0.122	0.407	0.6	0.483	0.41	0.968	1.0	0.797	0.997	0.968
Compound_103	OC(=O)c1ccccn1	0.092	0.157	0.119	0.326	0.069	0.081	0.03	0.035	0.641	0.044	0.171
Compound_104	N#CC(Cl)(Cl)C	0.946	0.193	0.56	0.646	0.284	0.427	0.985	0.984	0.571	0.988	0.962
Compound_105	COc1ccc(cc1)O	0.922	0.119	0.8	0.714	0.347	0.111	0.974	0.02	0.965	0.131	0.216
Compound_106	Oc1c(C)cccc1O	0.804	0.13	0.708	0.613	0.298	0.009	0.491	0.966	0.741	0.972	0.34
Compound_107	CC1CC(=O)C(=C1C)C	0.951	0.336	0.158	0.513	0.154	0.027	0.707	0.968	0.651	0.995	0.962
Compound_108	O=CC=C(Cl)Cl	0.895	0.304	0.557	0.674	0.368	0.948	1.0	0.999	0.411	1.0	0.972
Compound_109	OCCBr	0.656	0.1	0.115	0.585	0.097	0.061	0.858	0.885	0.277	0.838	0.945
Compound_110	Cc1ccc(o1)C(=O)O	0.233	0.1	0.261	0.28	0.004	0.023	0.909	0.184	0.668	0.126	0.121
Compound_111	CC(=O)CCC=C(C)C	0.897	0.031	0.416	0.598	0.058	0.002	0.833	0.95	0.605	0.991	0.947
Compound_112	Cc1cccc(c1)Cl	0.862	0.14	0.873	0.656	0.093	0.042	0.997	0.936	0.637	0.996	0.044
Compound_113	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_114	CC(C(Cl)C)Cl	0.924	0.167	0.504	0.623	0.378	0.169	0.999	0.99	0.736	0.997	0.771
Compound_115	CC(=O)N1CCCC1=O	0.18	0.387	0.236	0.438	0.02	0.049	0.098	0.076	0.439	0.172	0.423
Compound_116	CN1CCCCCC1=O	0.498	0.34	0.239	0.463	0.033	0.123	0.014	0.103	0.39	0.261	0.281
Compound_117	Nc1ccc(cc1)Cl	0.882	0.164	0.938	0.663	0.216	0.322	0.998	0.883	0.913	0.981	0.219
Compound_118	Nc1cccc(c1)Cl	0.896	0.164	0.946	0.64	0.368	0.2	0.998	0.986	0.723	0.981	0.219
Compound_119	Nc1ccccc1Cl	0.881	0.218	0.969	0.636	0.123	0.098	0.998	0.967	0.938	0.992	0.399
Compound_120	ClCC(=O)NCl	0.465	0.075	0.564	0.491	0.167	0.061	0.848	0.997	0.738	0.97	0.682
Compound_121	ClC(C(=O)N)Cl	0.401	0.081	0.034	0.307	0.139	0.392	0.783	0.708	0.537	0.896	0.777
Compound_122	Oc1ccc(cc1)Cl	0.898	0.17	0.711	0.593	0.312	0.098	0.634	0.118	0.877	0.81	0.648
Compound_123	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_124	Oc1ccccc1Cl	0.921	0.149	0.526	0.57	0.516	0.069	0.895	0.875	0.872	0.994	0.918
Compound_125	ClC(C(=O)O)Cl	0.724	0.033	0.047	0.438	0.093	0.098	0.846	0.998	0.648	0.481	0.928
Compound_126	ClCBr	0.915	0.074	0.518	0.607	0.636	0.154	0.974	0.983	0.93	0.999	0.916
Compound_127	ClC(N(=O)=O)Cl	0.787	0.1	0.418	0.605	0.615	0.41	0.434	0.998	0.793	0.999	0.892
Compound_128	Oc1cncc(c1)Cl	0.454	0.156	0.828	0.595	0.133	0.178	0.138	0.779	0.606	0.922	0.484
Compound_129	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_130	CCCN(N=O)CCC	0.091	0.132	0.15	0.501	0.017	0.098	0.006	0.86	0.755	0.934	0.648
Compound_131	OC(=O)CCCC(=O)O	0.225	0.01	0.153	0.118	0.052	0.017	0.178	0.115	0.333	0.003	0.061
Compound_132	CCc1cccc(c1)C=C	0.85	0.248	0.622	0.617	0.043	0.068	0.977	0.944	0.83	0.997	0.405
Compound_133	C=Cc1ccccc1CC	0.881	0.27	0.885	0.61	0.051	0.012	0.984	0.924	0.858	0.997	0.529
Compound_134	OCCN(N=O)CCO	0.031	0.073	0.083	0.41	0.03	0.063	0.004	0.258	0.31	0.043	0.346
Compound_135	O=C1OCc2c1cccc2	0.745	0.23	0.889	0.568	0.071	0.089	0.999	0.031	0.579	0.779	0.636
Compound_136	O=Cc1ccccc1CC	0.846	0.139	0.56	0.57	0.037	0.098	0.994	0.353	0.887	0.982	0.69
Compound_137	CCc1ccc(cc1)C=O	0.817	0.13	0.273	0.561	0.039	0.491	0.998	0.363	0.901	0.984	0.5
Compound_138	CCc1ccc(cc1C)C	0.664	0.202	0.821	0.59	0.042	0.02	0.967	0.728	0.95	0.998	0.404
Compound_139	CC(c1ccccc1)(C)C	0.899	0.095	0.748	0.568	0.093	0.067	0.924	0.224	0.91	0.996	0.237
Compound_140	OC(Cl)(Cl)Cl	0.856	0.069	0.135	0.573	0.724	0.165	0.666	0.872	0.093	0.891	0.981
Compound_141	O=Cc1ccc(c(c1)C)O	0.71	0.172	0.656	0.626	0.336	0.961	0.229	0.517	0.84	0.761	0.252
Compound_142	CC(=O)c1ccc(cc1)O	0.95	0.151	0.698	0.613	0.63	0.967	0.619	0.51	0.696	0.158	0.088
Compound_143	NC(=O)Cc1ccccc1	0.055	0.126	0.089	0.27	0.003	0.083	0.887	0.007	0.408	0.088	0.089
Compound_144	CC(c1ccccc1)(O)C	0.385	0.091	0.427	0.591	0.078	0.045	0.679	0.246	0.413	0.407	0.363
Compound_145	OC(=O)Cc1ccccc1	0.029	0.067	0.135	0.229	0.059	0.031	0.995	0.017	0.26	0.006	0.031
Compound_146	COc1ccc(cc1)C=O	0.815	0.154	0.494	0.68	0.18	0.864	0.774	0.006	0.915	0.603	0.266
Compound_147	COC(=O)c1ccccc1	0.821	0.141	0.634	0.57	0.032	0.075	0.991	0.008	0.897	0.582	0.148
Compound_148	OC(=O)c1ccc(cc1)C	0.41	0.091	0.215	0.273	0.088	0.14	0.931	0.373	0.271	0.084	0.051
Compound_149	CCCC(C(=O)O)Cl	0.666	0.041	0.061	0.451	0.149	0.012	0.994	0.987	0.416	0.361	0.445
Compound_150	ClC(C(=O)O)C(C)C	0.659	0.064	0.035	0.462	0.15	0.006	0.995	0.993	0.343	0.222	0.819
Compound_151	CC(=O)CBr	0.873	0.079	0.435	0.667	0.567	0.101	0.985	0.997	0.642	0.997	0.946
Compound_152	CCC(Br)C	0.878	0.162	0.407	0.647	0.192	0.02	0.995	0.985	0.847	0.999	0.838
Compound_153	NC(=O)CBr	0.249	0.025	0.034	0.366	0.403	0.087	0.26	0.704	0.546	0.596	0.568
Compound_154	ClC(CCl)CC#N	0.944	0.194	0.25	0.672	0.657	0.311	0.993	0.991	0.766	0.976	0.984
Compound_155	Oc1ccc(cc1)N(=O)=O	0.957	0.185	0.913	0.611	0.766	0.445	0.986	0.974	0.627	0.897	0.908
Compound_156	OC(=O)c1ccccc1O	0.37	0.199	0.163	0.423	0.128	0.031	0.078	0.094	0.321	0.288	0.076
Compound_157	O=N(=O)c1ccccc1N	0.981	0.175	0.965	0.555	0.386	0.043	0.961	0.998	0.699	0.995	0.851
Compound_158	Oc1ccc(cc1)C(=O)O	0.571	0.149	0.271	0.474	0.542	0.664	0.905	0.234	0.467	0.022	0.096
Compound_159	C=Cc1ccc(cc1)Cl	0.975	0.276	0.549	0.627	0.222	0.294	0.998	0.978	0.798	0.997	0.163
Compound_160	OC(=O)CBr	0.48	0.035	0.051	0.438	0.541	0.105	0.608	0.998	0.396	0.112	0.824
Compound_161	BrCN(=O)=O	0.749	0.098	0.531	0.639	0.482	0.234	0.555	0.999	0.813	0.983	0.788
Compound_162	O=Cc1ccc(o1)C(=O)O	0.299	0.149	0.205	0.247	0.008	0.052	0.875	0.478	0.697	0.036	0.426
Compound_163	CCCCCC/C=C/C=O	0.979	0.052	0.268	0.599	0.354	0.499	0.999	0.956	0.989	1.0	0.87
Compound_164	ClC(=CC(=O)O)Cl	0.655	0.209	0.07	0.466	0.632	0.548	0.998	0.994	0.3	0.883	0.935
Compound_165	CCC(=O)C(Cl)Cl	0.966	0.115	0.293	0.622	0.304	0.636	0.997	0.994	0.19	0.996	0.965
Compound_166	CC(=O)C(Cl)(Cl)C	0.964	0.128	0.46	0.653	0.179	0.612	0.997	0.983	0.511	0.994	0.971
Compound_167	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_168	O=C1C=CC(=O)C(=C1)Cl	0.914	0.412	0.637	0.733	0.6	0.491	0.975	0.996	0.926	0.997	0.865
Compound_169	COc1cccc(c1)Cl	0.86	0.137	0.843	0.708	0.301	0.089	0.883	0.071	0.411	0.97	0.408
Compound_170	COc1ccccc1Cl	0.893	0.172	0.863	0.688	0.288	0.108	0.883	0.153	0.773	0.99	0.752
Compound_171	COC(=O)C(Cl)Cl	0.918	0.039	0.16	0.506	0.094	0.065	0.992	1.0	0.852	0.961	0.899
Compound_172	OC(=O)C(Cl)(Cl)C	0.764	0.021	0.046	0.441	0.115	0.112	0.994	0.956	0.443	0.527	0.909
Compound_173	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_174	CCCCC(C(=O)O)CC	0.563	0.01	0.072	0.2	0.063	0.005	0.838	0.226	0.038	0.854	0.358
Compound_175	N#CC(Cl)(Cl)Cl	0.941	0.174	0.273	0.661	0.359	0.255	0.735	0.983	0.168	0.996	0.975
Compound_176	Oc1c(O)cccc1Cl	0.936	0.144	0.553	0.572	0.648	0.153	0.874	0.926	0.863	0.987	0.893
Compound_177	OC(=O)CCCCC(=O)O	0.381	0.021	0.153	0.118	0.045	0.013	0.13	0.083	0.25	0.014	0.07
Compound_178	Clc1c[nH]c(=O)[nH]c1=O	0.147	0.442	0.123	0.459	0.126	0.051	0.463	0.037	0.635	0.163	0.909
Compound_179	Clc1cc(=O)[nH]c(=O)[nH]1	0.283	0.413	0.197	0.453	0.332	0.074	0.911	0.012	0.75	0.151	0.904
Compound_180	Clc1ccc(cc1)Cl	0.949	0.153	0.821	0.595	0.232	0.303	0.998	0.473	0.928	0.998	0.087
Compound_181	Clc1cccc(c1)Cl	0.974	0.153	0.84	0.607	0.239	0.119	0.997	0.765	0.711	0.998	0.087
Compound_182	Clc1ccccc1Cl	0.967	0.088	0.964	0.576	0.093	0.165	0.998	0.959	0.972	0.999	0.279
Compound_183	O=C1NC(=O)c2c1cccc2	0.777	0.394	0.525	0.356	0.032	0.231	0.748	0.06	0.796	0.557	0.647
Compound_184	O=C1OC(=O)c2c1cccc2	0.888	0.109	0.888	0.548	0.062	0.043	0.998	0.026	0.615	0.068	0.546
Compound_185	CC=C(C=O)Br	0.942	0.222	0.6	0.718	0.66	0.284	0.999	0.998	0.951	1.0	0.977
Compound_186	O=C1C=CC(=NC(=O)C)C=C1	0.383	0.38	0.694	0.701	0.262	0.226	0.829	0.981	0.923	0.948	0.388
Compound_187	FC(S(=O)(=O)O)(F)F	0.663	0.114	0.052	0.47	0.636	0.257	0.6	0.998	0.366	0.889	0.205
Compound_188	COc1ccc(cc1)C(=O)C	0.866	0.155	0.823	0.688	0.197	0.924	0.932	0.034	0.631	0.485	0.284
Compound_189	CC(c1ccc(cc1)O)(C)C	0.922	0.067	0.672	0.592	0.649	0.857	0.643	0.197	0.81	0.701	0.211
Compound_190	CCCCC(C(=O)O)Cl	0.746	0.04	0.067	0.463	0.13	0.017	0.99	0.991	0.239	0.373	0.506
Compound_191	OC(=O)/C=C\Br	0.833	0.038	0.047	0.476	0.587	0.152	0.997	0.989	0.895	0.876	0.951
Compound_192	O=CC(Br)(C)C	0.872	0.077	0.524	0.654	0.518	0.272	0.996	0.979	0.88	0.995	0.944
Compound_193	CCCC(Br)C	0.906	0.158	0.371	0.662	0.196	0.023	0.995	0.987	0.787	0.999	0.87
Compound_194	N#CCc1ccc(cc1)Cl	0.848	0.179	0.522	0.621	0.626	0.304	0.997	0.719	0.815	0.938	0.733
Compound_195	N#CCc1cccc(c1)Cl	0.804	0.179	0.658	0.651	0.597	0.194	0.999	0.813	0.631	0.938	0.733
Compound_196	N#CCc1ccccc1Cl	0.833	0.142	0.687	0.655	0.673	0.123	0.998	0.891	0.667	0.964	0.875
Compound_197	NC(=O)Cc1ccc(cc1)O	0.047	0.213	0.059	0.325	0.096	0.753	0.331	0.011	0.533	0.001	0.034
Compound_198	COc1ccc(cc1)C(=O)O	0.483	0.116	0.241	0.316	0.613	0.65	0.844	0.097	0.383	0.025	0.055
Compound_199	O=C1C=C(C)C(=O)C(C1)(C)C	0.963	0.394	0.755	0.698	0.19	0.162	0.408	0.937	0.443	0.997	0.879
Compound_200	O=c1cc(C)[nH]c(n1)C(C)C	0.399	0.355	0.501	0.464	0.321	0.029	0.022	0.097	0.776	0.136	0.163
Compound_201	OC(=O)CC(C(=O)O)Cl	0.605	0.053	0.047	0.42	0.184	0.03	0.918	0.986	0.511	0.02	0.41
Compound_202	N#Cc1ccc(c(c1)Cl)O	0.922	0.154	0.585	0.686	0.855	0.334	0.717	0.963	0.785	0.933	0.985
Compound_203	N#Cc1cccc(c1O)Cl	0.908	0.17	0.48	0.648	0.758	0.197	0.905	0.875	0.788	0.933	0.987
Compound_204	N#Cc1cc(Cl)ccc1O	0.908	0.17	0.903	0.712	0.595	0.192	0.42	0.918	0.859	0.933	0.987
Compound_205	N#Cc1ccc(c(c1)Br)O	0.977	0.139	0.585	0.686	0.686	0.723	0.963	0.963	0.69	0.959	0.973
Compound_206	N#Cc1cccc(c1O)Br	0.971	0.156	0.48	0.648	0.681	0.702	0.963	0.875	0.699	0.959	0.972
Compound_207	N#Cc1cc(Br)ccc1O	0.98	0.156	0.903	0.712	0.628	0.628	0.947	0.918	0.561	0.959	0.972
Compound_208	N#Cc1cc(Cl)cc(c1O)Cl	0.935	0.17	0.703	0.636	0.605	0.251	0.923	0.957	0.836	0.933	0.987
Compound_209	N#Cc1cc(Cl)c(c(c1)Cl)O	0.936	0.154	0.585	0.685	0.819	0.322	0.986	0.952	0.827	0.933	0.985
Compound_210	N#Cc1cc(Br)cc(c1O)Br	0.972	0.156	0.703	0.636	0.689	0.778	0.958	0.957	0.379	0.959	0.972
Compound_211	N#Cc1cc(Br)c(c(c1)Br)O	0.966	0.139	0.585	0.685	0.685	0.898	0.974	0.952	0.551	0.959	0.973
Compound_212	N#Cc1ccc(c(c1)I)O	0.935	0.167	0.585	0.686	0.758	0.352	0.858	0.963	0.414	0.911	0.918
Compound_213	N#Cc1cc(I)ccc1O	0.933	0.184	0.903	0.712	0.62	0.22	0.878	0.918	0.58	0.911	0.923
Compound_214	N#Cc1cc(Cl)c(c(c1)Br)O	0.963	0.146	0.585	0.685	0.699	0.688	0.99	0.952	0.71	0.97	0.989
Compound_215	N#Cc1cc(Br)cc(c1O)Cl	0.967	0.163	0.703	0.636	0.668	0.642	0.986	0.957	0.68	0.97	0.989
Compound_216	N#Cc1cc(I)c(c(c1)I)O	0.929	0.167	0.585	0.685	0.832	0.261	0.899	0.952	0.429	0.911	0.918
Compound_217	CC(C(=O)O)Br	0.426	0.031	0.046	0.45	0.628	0.079	0.983	0.992	0.249	0.646	0.852
Compound_218	ClC(Cl)(Cl)Cl	0.927	0.079	0.453	0.591	0.836	0.311	0.839	0.979	0.151	0.999	0.91
Compound_219	CCOP(=O)(OCC)O	0.922	0.076	0.22	0.303	0.044	0.028	0.699	0.005	0.411	0.76	0.358
Compound_220	Oc1ccc(c(c1)C(=O)O)O	0.426	0.173	0.189	0.391	0.274	0.108	0.021	0.111	0.696	0.527	0.058
Compound_221	ClC(C#N)Br	0.947	0.196	0.273	0.597	0.332	0.126	0.952	0.999	0.91	0.999	0.974
Compound_222	ClCC(=O)c1ccccc1	0.98	0.112	0.766	0.72	0.493	0.745	0.995	0.991	0.95	0.988	0.947
Compound_223	CCC(=O)C(Cl)(Cl)C	0.974	0.14	0.589	0.666	0.243	0.716	0.996	0.97	0.165	0.99	0.974
Compound_224	O=N(=O)c1ccc(c(c1)O)O	0.969	0.117	0.705	0.558	0.819	0.228	0.988	0.991	0.433	0.985	0.972
Compound_225	NC(=O)c1ccccc1Cl	0.774	0.274	0.162	0.331	0.068	0.378	0.993	0.006	0.807	0.768	0.369
Compound_226	CCCCC1CCCC(=O)O1	0.91	0.261	0.104	0.58	0.088	0.035	0.993	0.13	0.11	0.988	0.129
Compound_227	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_228	CCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_229	O=C1C=C(C)C(=O)C(=C1)Cl	0.871	0.407	0.801	0.738	0.366	0.091	0.948	0.995	0.878	0.998	0.88
Compound_230	OC(=O)c1ccccc1Cl	0.634	0.08	0.572	0.467	0.416	0.189	0.981	0.204	0.69	0.915	0.391
Compound_231	O=Cc1ccc(c(c1)Cl)O	0.841	0.182	0.264	0.638	0.801	0.664	0.916	0.886	0.731	0.977	0.864
Compound_232	OC(=O)c1ccc(cc1)Cl	0.591	0.085	0.262	0.409	0.297	0.133	0.981	0.101	0.248	0.316	0.211
Compound_233	Clc1cccc2c1OCO2	0.816	0.358	0.977	0.619	0.237	0.415	0.92	0.881	0.655	0.994	0.85
Compound_234	ClCC(c1ccccc1)O	0.514	0.112	0.408	0.537	0.136	0.287	0.926	0.541	0.311	0.331	0.677
Compound_235	CC(=O)OC(Br)Cl	0.845	0.029	0.313	0.668	0.141	0.039	0.994	0.999	0.909	0.996	0.945
Compound_236	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_237	CCCCN(N=O)CCCC	0.122	0.135	0.164	0.519	0.034	0.201	0.005	0.969	0.807	0.967	0.662
Compound_238	COc1ccc(cc1Cl)O	0.932	0.141	0.789	0.715	0.521	0.3	0.926	0.08	0.732	0.919	0.787
Compound_239	Cl[N-]C1=NC(=[N+](C)C)N=N1	0.36	0.419	0.554	0.679	0.091	0.061	0.022	0.99	0.794	0.559	0.624
Compound_240	OC(=O)CCCCCC(=O)O	0.476	0.021	0.167	0.12	0.043	0.01	0.175	0.036	0.042	0.16	0.087
Compound_241	CC(=O)C(Cl)(Cl)Cl	0.956	0.089	0.435	0.666	0.199	0.898	0.995	0.98	0.182	0.999	0.971
Compound_242	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_243	Clc1cccc(c1O)Cl	0.93	0.149	0.595	0.558	0.5	0.098	0.978	0.906	0.602	0.994	0.918
Compound_244	Clc1ccc(c(c1)Cl)N	0.923	0.218	0.943	0.658	0.203	0.198	0.995	0.929	0.92	0.992	0.399
Compound_245	Clc1cccc(c1N)Cl	0.934	0.218	0.957	0.601	0.187	0.129	0.997	0.557	0.667	0.992	0.399
Compound_246	Nc1ccc(c(c1)Cl)Cl	0.924	0.218	0.988	0.625	0.201	0.356	0.997	0.995	0.675	0.992	0.399
Compound_247	O=c1oc2ccccc2cc1O	0.599	0.519	0.907	0.576	0.116	0.53	0.832	0.794	0.755	0.61	0.613
Compound_248	O=Cc1ccc(cc1)C(C)(C)C	0.84	0.108	0.352	0.544	0.059	0.499	0.981	0.194	0.863	0.979	0.506
Compound_249	NC(=O)C(Cl)(Cl)Cl	0.562	0.085	0.034	0.374	0.213	0.254	0.706	0.284	0.175	0.862	0.79
Compound_250	Clc1ccc(c(c1)Cl)O	0.943	0.149	0.354	0.527	0.322	0.11	0.822	0.772	0.869	0.994	0.918
Compound_251	Clc1c(O)cccc1Cl	0.941	0.149	0.934	0.653	0.792	0.602	0.841	0.979	0.884	0.994	0.918
Compound_252	OC(=O)C(Cl)(Cl)Cl	0.791	0.016	0.047	0.438	0.168	0.091	0.787	0.998	0.291	0.521	0.957
Compound_253	ClC(Br)Cl	0.927	0.088	0.324	0.575	0.648	0.322	0.955	0.983	0.822	1.0	0.923
Compound_254	Oc1cc(Cl)nc(c1)Cl	0.835	0.184	0.926	0.591	0.5	0.275	0.957	0.569	0.913	0.767	0.735
Compound_255	O=Cc1ccc(c(c1)C(=O)O)O	0.202	0.167	0.019	0.311	0.216	0.709	0.139	0.134	0.687	0.123	0.123
Compound_256	N#CC(N=NC(C#N)(C)C)(C)C	0.52	0.107	0.028	0.51	0.149	0.087	0.417	0.949	0.731	0.836	0.714
Compound_257	ClC(N(=O)=O)(Cl)Cl	0.85	0.104	0.353	0.599	0.697	0.244	0.622	0.995	0.252	0.98	0.908
Compound_258	OC(=O)/C(=C(/C(=O)O)\C)/Cl	0.748	0.155	0.063	0.416	0.161	0.004	0.965	0.992	0.864	0.826	0.968
Compound_259	CCCCCC(C(=O)O)Cl	0.807	0.031	0.067	0.463	0.133	0.015	0.996	0.991	0.22	0.681	0.609
Compound_260	CCCCCCBr	0.949	0.038	0.309	0.704	0.156	0.026	0.997	0.997	0.895	1.0	0.923
Compound_261	O=Cc1cc(ccc1O)C(=O)O	0.247	0.158	0.055	0.432	0.281	0.803	0.679	0.805	0.754	0.112	0.237
Compound_262	OC(=O)c1ccc(cc1)C(=O)O	0.613	0.096	0.409	0.372	0.07	0.13	0.753	0.445	0.173	0.011	0.337
Compound_263	OC(=O)c1cccc(c1)C(=O)O	0.515	0.096	0.484	0.42	0.041	0.12	0.659	0.321	0.773	0.011	0.337
Compound_264	OC(=O)c1ccccc1C(=O)O	0.67	0.08	0.448	0.337	0.08	0.028	0.968	0.074	0.587	0.083	0.393
Compound_265	CCCCCC1=C(C)CCC1=O	0.991	0.26	0.61	0.556	0.146	0.028	0.878	0.949	0.683	1.0	0.985
Compound_266	ICC#N	0.933	0.292	0.273	0.649	0.181	0.31	0.483	0.999	0.752	0.971	0.861
Compound_267	CCC(C(=O)O)Br	0.349	0.037	0.055	0.458	0.661	0.073	0.992	0.987	0.121	0.569	0.634
Compound_268	CC(C(O)(C)C)Br	0.58	0.064	0.269	0.574	0.179	0.022	0.853	0.674	0.248	0.935	0.941
Compound_269	O=C1CCCN1C1CCCCC1	0.583	0.338	0.16	0.442	0.028	0.291	0.028	0.21	0.409	0.706	0.216
Compound_270	c1ccc2c(c1)oc1c2cccc1	0.659	0.68	0.976	0.623	0.082	0.702	0.984	0.33	0.648	0.999	0.934
Compound_271	O=C1CC(C)(C)C(=O)C2(C1O2)C	0.856	0.326	0.059	0.473	0.258	0.423	0.82	0.596	0.287	0.057	0.469
Compound_272	CC(c1ccc(cc1)Cl)(C)C	0.889	0.177	0.67	0.658	0.418	0.413	0.952	0.119	0.77	0.991	0.106
Compound_273	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_274	Nc1nc(Cl)c2c(n1)nc[nH]2	0.389	0.658	0.856	0.378	0.334	0.717	0.007	0.107	0.621	0.703	0.159
Compound_275	Clc1nc(N)c2c(n1)nc[nH]2	0.359	0.66	0.463	0.411	0.286	0.725	0.005	0.094	0.619	0.664	0.101
Compound_276	NC(=O)Cc1ccccc1Cl	0.06	0.23	0.142	0.324	0.067	0.178	0.992	0.016	0.432	0.4	0.219
Compound_277	NC(=O)Cc1cccc(c1)Cl	0.069	0.137	0.153	0.327	0.04	0.178	0.995	0.021	0.397	0.314	0.13
Compound_278	ICC=O	0.84	0.218	0.407	0.6	0.109	0.709	0.891	1.0	0.698	0.988	0.89
Compound_279	CCOP(=O)(OCC)S	0.917	0.11	0.22	0.303	0.038	0.026	0.977	0.005	0.669	0.994	0.444
Compound_280	OC(=O)Cc1ccc(cc1)Cl	0.034	0.094	0.161	0.286	0.312	0.103	0.998	0.015	0.204	0.084	0.061
Compound_281	OC(=O)Cc1ccccc1Cl	0.043	0.102	0.157	0.311	0.372	0.054	0.998	0.027	0.302	0.644	0.127
Compound_282	O=C1C=C(Cl)C(=O)C(=C1C)C	0.881	0.428	0.738	0.711	0.5	0.21	0.974	0.993	0.878	0.995	0.876
Compound_283	CCCC(C(=O)O)(Cl)Cl	0.744	0.034	0.037	0.506	0.115	0.143	0.991	0.99	0.328	0.293	0.587
Compound_284	CC(=O)C(Br)Cl	0.945	0.113	0.435	0.619	0.743	0.235	0.998	0.997	0.717	1.0	0.974
Compound_285	Oc1ccc(c(c1)Cl)C(=O)N	0.698	0.38	0.092	0.343	0.666	0.752	0.776	0.006	0.808	0.258	0.618
Compound_286	Oc1cccnc1Br	0.572	0.178	0.753	0.574	0.495	0.472	0.045	0.836	0.794	0.962	0.866
Compound_287	Nc1ccccc1Br	0.956	0.241	0.969	0.636	0.566	0.312	0.994	0.967	0.829	0.993	0.251
Compound_288	OC(=O)C=C(C(C)(C)C)C(=O)O	0.691	0.127	0.072	0.237	0.487	0.054	0.92	0.306	0.702	0.883	0.96
Compound_289	CCCCCCCCCC(=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_290	NC(=O)C(Br)Cl	0.401	0.081	0.034	0.307	0.589	0.177	0.938	0.708	0.67	0.929	0.76
Compound_291	OC(=O)c1cccc(c1O)Cl	0.366	0.21	0.155	0.375	0.645	0.108	0.231	0.06	0.387	0.902	0.306
Compound_292	Clc1ccc(c(c1)C(=O)O)O	0.336	0.21	0.072	0.379	0.314	0.102	0.038	0.133	0.572	0.902	0.306
Compound_293	OC(=O)c1ccc(c(c1)Cl)O	0.586	0.164	0.105	0.487	0.886	0.487	0.901	0.648	0.595	0.915	0.53
Compound_294	O=N(=O)c1ccc(c(c1)Cl)N	0.971	0.183	0.972	0.708	0.266	0.285	0.996	0.995	0.75	0.996	0.747
Compound_295	Nc1ccc(c(c1)N(=O)=O)Cl	0.95	0.219	0.96	0.604	0.228	0.161	0.994	0.991	0.692	0.994	0.77
Compound_296	OC(=O)C(C(=O)O)(Cl)Cl	0.75	0.072	0.047	0.437	0.223	0.201	0.286	0.998	0.491	0.078	0.929
Compound_297	Oc1ccc(cc1)Br	0.971	0.153	0.711	0.593	0.595	0.574	0.991	0.118	0.674	0.875	0.777
Compound_298	Oc1ccccc1Br	0.97	0.134	0.526	0.57	0.556	0.559	0.991	0.875	0.718	0.996	0.929
Compound_299	OC(=O)C(Br)Cl	0.67	0.033	0.047	0.438	0.566	0.126	0.959	0.998	0.759	0.63	0.962
Compound_300	O=N(=O)c1ccc(c(c1)Cl)O	0.958	0.145	0.632	0.637	0.88	0.362	0.981	0.996	0.595	0.988	0.972
Compound_301	BrCBr	0.903	0.082	0.518	0.607	0.525	0.185	0.888	0.983	0.833	0.999	0.908
Compound_302	OC(=O)CCCCCCC(=O)O	0.597	0.021	0.167	0.12	0.093	0.024	0.58	0.036	0.176	0.16	0.087
Compound_303	ClC(N(=O)=O)Br	0.738	0.1	0.418	0.605	0.589	0.251	0.822	0.998	0.881	0.999	0.868
Compound_304	ClCC(c1ccccc1)Cl	0.85	0.163	0.823	0.652	0.522	0.727	0.999	0.965	0.922	0.996	0.485
Compound_305	ClC(=C(C(=O)O)Cl)Cl	0.815	0.209	0.215	0.411	0.462	0.17	0.997	0.999	0.713	0.883	0.935
Compound_306	CCC(=O)C(Cl)(Cl)Cl	0.962	0.101	0.293	0.67	0.179	0.645	0.997	0.975	0.095	0.996	0.972
Compound_307	ClN=C1C=CC(=O)C=C1Cl	0.789	0.55	0.637	0.728	0.369	0.474	0.963	0.993	0.877	0.987	0.722
Compound_308	ClN=C1C=CC(=O)C(=C1)Cl	0.866	0.55	0.637	0.715	0.624	0.604	0.963	0.996	0.913	0.987	0.722
Compound_309	CC(=O)c1ccc(cc1)C(C)(C)C	0.929	0.087	0.724	0.54	0.064	0.342	0.28	0.433	0.58	0.985	0.526
Compound_310	ClC1=CC(=O)C(=CC1=O)Cl	0.945	0.412	0.637	0.692	0.587	0.525	0.99	0.996	0.901	0.997	0.865
Compound_311	O=C1C=C(Cl)C(=O)C(=C1)Cl	0.909	0.412	0.637	0.702	0.587	0.525	0.99	0.999	0.901	0.997	0.865
Compound_312	COc1ccc(cc1Cl)Cl	0.924	0.172	0.866	0.734	0.1	0.184	0.865	0.182	0.741	0.99	0.752
Compound_313	O=NN1CCCC1c1cccnc1	0.06	0.437	0.084	0.463	0.029	0.589	0.0	0.065	0.481	0.017	0.292
Compound_314	OC(=O)CC(Cl)(Cl)Cl	0.617	0.036	0.047	0.414	0.187	0.466	0.984	0.778	0.039	0.154	0.814
Compound_315	OC(=O)c1ccc(cc1)C(C)(C)C	0.529	0.093	0.138	0.336	0.208	0.343	0.895	0.341	0.32	0.108	0.18
Compound_316	ClCC(=C(Cl)Cl)Cl	0.918	0.348	0.463	0.615	0.656	0.838	0.996	0.99	0.776	0.998	0.921
Compound_317	c1ccc2c(c1)nc1c(n2)cccc1	0.83	0.724	0.906	0.551	0.784	0.49	0.978	0.777	0.715	0.956	0.989
Compound_318	Oc1ccc(c(c1)C(=O)O)C(=O)O	0.606	0.124	0.244	0.446	0.737	0.316	0.982	0.066	0.595	0.32	0.327
Compound_319	O=C(c1ccccc1)c1ccccc1	0.957	0.662	0.665	0.53	0.13	0.756	0.948	0.255	0.876	0.993	0.959
Compound_320	C=Cc1ccccc1Br	0.984	0.247	0.625	0.62	0.093	0.665	0.999	0.982	0.739	0.999	0.481
Compound_321	BrC(=C)c1ccccc1	0.981	0.473	0.763	0.655	0.226	0.107	0.999	0.969	0.954	0.999	0.705
Compound_322	OC(=O)c1cc(ccc1O)N(=O)=O	0.574	0.186	0.406	0.474	0.542	0.209	0.184	0.97	0.471	0.84	0.914
Compound_323	O=N(=O)c1ccc(c(c1)N(=O)=O)O	0.929	0.083	0.866	0.592	0.801	0.787	0.96	0.994	0.95	0.977	0.94
Compound_324	CCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_325	Clc1ccc2c(c1)sc(n2)N	0.873	0.737	0.959	0.556	0.635	0.704	0.732	0.153	0.969	0.789	0.128
Compound_326	O=Cc1ccc(cc1)Br	0.965	0.139	0.342	0.607	0.188	0.58	0.999	0.402	0.611	0.997	0.611
Compound_327	O=Cc1cccc(c1)Br	0.963	0.139	0.531	0.629	0.557	0.145	0.999	0.577	0.677	0.997	0.611
Compound_328	O=Cc1ccccc1Br	0.965	0.073	0.387	0.658	0.152	0.658	0.999	0.626	0.624	0.999	0.786
Compound_329	OC(=O)CI	0.528	0.103	0.051	0.438	0.163	0.205	0.299	0.998	0.33	0.035	0.764
Compound_330	N#CCc1c(Cl)cccc1Cl	0.913	0.142	0.687	0.647	0.785	0.094	0.995	0.891	0.577	0.964	0.875
Compound_331	Clc1c(CC#N)cccc1Cl	0.831	0.142	0.853	0.625	0.607	0.204	0.997	0.991	0.846	0.964	0.875
Compound_332	N#CCc1ccc(c(c1)Cl)Cl	0.865	0.142	0.862	0.667	0.533	0.268	0.998	0.978	0.73	0.964	0.875
Compound_333	Clc1ccc(cc1CC#N)Cl	0.793	0.142	0.817	0.683	0.788	0.34	0.996	0.853	0.889	0.964	0.875
Compound_334	N#CCc1ccc(cc1Cl)Cl	0.894	0.142	0.662	0.698	0.845	0.098	0.992	0.912	0.446	0.964	0.875
Compound_335	CCCCCCCCCCC(=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_336	OC(=O)CC(C(=O)O)(Cl)Cl	0.653	0.051	0.053	0.424	0.148	0.283	0.876	0.986	0.528	0.019	0.578
Compound_337	ClC(C(C(=O)O)Cl)C(=O)O	0.569	0.043	0.092	0.496	0.321	0.08	0.918	0.998	0.672	0.154	0.921
Compound_338	O=C1C=CC(=O)C(=C1)Br	0.941	0.373	0.637	0.733	0.765	0.332	0.982	0.996	0.955	0.997	0.91
Compound_339	COc1ccc(cc1)Br	0.965	0.123	0.843	0.69	0.567	0.566	0.993	0.038	0.651	0.977	0.665
Compound_340	COc1ccccc1Br	0.962	0.161	0.863	0.688	0.524	0.548	0.993	0.153	0.709	0.992	0.856
Compound_341	OC(=O)C(CCl)Br	0.598	0.032	0.036	0.551	0.731	0.165	0.996	0.998	0.353	0.319	0.896
Compound_342	CC(Nc1nc(N)nc(n1)Cl)C	0.224	0.175	0.701	0.464	0.026	0.063	0.0	0.09	0.574	0.037	0.025
Compound_343	N#Cc1cc(Cl)c(c(c1)Cl)O	0.936	0.154	0.585	0.685	0.819	0.322	0.986	0.952	0.827	0.933	0.985
Compound_344	N#Cc1cc(Cl)cc(c1O)Cl	0.935	0.17	0.703	0.636	0.605	0.251	0.923	0.957	0.836	0.933	0.987
Compound_345	OC(=O)CCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_346	N#CC(Br)(Cl)Cl	0.934	0.174	0.273	0.661	0.436	0.271	0.884	0.983	0.707	0.998	0.974
Compound_347	ClC(C(=O)c1ccccc1)Cl	0.985	0.131	0.569	0.539	0.593	0.946	0.992	0.992	0.782	0.999	0.871
Compound_348	O=CC(c1ccccc1)(Cl)Cl	0.794	0.166	0.743	0.689	0.345	0.852	1.0	0.978	0.642	0.998	0.911
Compound_349	ClCC(=C(C(=O)O)Cl)Cl	0.835	0.165	0.053	0.505	0.473	0.056	0.999	0.998	0.977	0.569	0.95
Compound_350	NC(=O)c1c(Cl)cccc1Cl	0.806	0.274	0.162	0.38	0.152	0.42	0.993	0.011	0.552	0.768	0.369
Compound_351	Clc1ccc(c(c1)Cl)C(=O)N	0.76	0.274	0.137	0.394	0.235	0.434	0.989	0.075	0.651	0.768	0.369
Compound_352	Brc1c[nH]c(=O)[nH]c1=O	0.162	0.362	0.123	0.459	0.193	0.043	0.148	0.037	0.726	0.225	0.851
Compound_353	OC(=O)c1ccc(o1)Br	0.385	0.153	0.474	0.415	0.262	0.358	0.971	0.608	0.737	0.305	0.619
Compound_354	O=Cc1cc(Cl)c(c(c1)Cl)O	0.872	0.182	0.301	0.617	0.761	0.641	0.993	0.91	0.777	0.977	0.864
Compound_355	O=C1C=C(Cl)C(=O)C(=C1C)Cl	0.858	0.407	0.738	0.698	0.46	0.184	0.958	0.998	0.878	0.998	0.88
Compound_356	O=CC(Br)(Cl)Cl	0.94	0.079	0.407	0.642	0.61	0.779	0.986	0.992	0.728	1.0	0.99
Compound_357	O=C1C=C(Cl)C(=O)c2c1cccc2	0.798	0.491	0.918	0.733	0.409	0.849	0.825	0.941	0.899	0.994	0.996
Compound_358	O=C1C=C(Cl)C(=O)C(=C1O)Cl	0.839	0.384	0.263	0.653	0.458	0.589	0.964	0.98	0.702	0.842	0.737
Compound_359	CC(C(=C(Cl)Cl)Cl)Cl	0.922	0.408	0.523	0.588	0.648	0.751	0.999	0.995	0.47	0.999	0.812
Compound_360	CCOc1ccc(cc1)C(=O)OCC	0.469	0.129	0.993	0.727	0.546	0.469	0.822	0.335	0.566	0.659	0.184
Compound_361	CC(=CCCC(=O)C)CCC=C(C)C	0.8	0.028	0.633	0.542	0.079	0.003	0.459	0.823	0.605	1.0	0.957
Compound_362	OC(=O)CCCCC(C(=O)O)Cl	0.807	0.061	0.183	0.435	0.158	0.029	0.811	0.927	0.195	0.078	0.296
Compound_363	OC(=O)/C=C(\C(=O)O)/Br	0.82	0.16	0.047	0.448	0.774	0.199	0.942	0.989	0.86	0.78	0.976
Compound_364	OC(=O)/C=C(/C(=O)O)\Br	0.82	0.16	0.047	0.448	0.774	0.199	0.942	0.989	0.86	0.78	0.976
Compound_365	ClCC(=O)C(Cl)(Cl)Cl	0.964	0.067	0.44	0.66	0.58	0.951	0.987	0.988	0.303	0.996	0.994
Compound_366	ClC(C(=O)C(Cl)Cl)Cl	0.962	0.093	0.44	0.594	0.58	0.951	0.987	0.999	0.774	1.0	0.986
Compound_367	N#CCc1ccc(cc1)Br	0.916	0.189	0.522	0.621	0.268	0.611	0.997	0.719	0.603	0.948	0.72
Compound_368	N#CCc1ccccc1Br	0.922	0.151	0.687	0.655	0.177	0.696	0.997	0.891	0.742	0.969	0.827
Compound_369	N#CCc1cccc(c1)Br	0.923	0.189	0.658	0.651	0.612	0.424	0.997	0.813	0.851	0.948	0.72
Compound_370	Nc1cc(Cl)c(c(c1)Cl)Cl	0.886	0.218	0.989	0.588	0.185	0.33	0.997	0.988	0.856	0.992	0.399
Compound_371	Clc1cc(Cl)c(c(c1)Cl)N	0.93	0.218	0.933	0.615	0.162	0.149	0.997	0.545	0.832	0.992	0.399
Compound_372	O=c1ccc2c(o1)c(Cl)c(cc2)O	0.911	0.396	0.902	0.544	0.901	0.582	0.395	0.717	0.905	0.923	0.8
Compound_373	Clc1cc(Cl)c(c(c1)Cl)O	0.916	0.149	0.452	0.507	0.263	0.098	0.987	0.969	0.798	0.994	0.918
Compound_374	O=NN(c1ccccc1)c1ccccc1	0.924	0.355	0.746	0.533	0.579	0.927	0.996	0.429	0.583	0.998	0.87
Compound_375	ClC(Br)(Cl)Cl	0.937	0.079	0.453	0.591	0.711	0.182	0.934	0.979	0.204	1.0	0.947
Compound_376	O=C1CCCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.099	0.065	0.989	0.81	0.189	0.978	0.477
Compound_377	CCCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_378	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_379	Clc1cc(Cl)c(nc1O)Cl	0.713	0.156	0.914	0.578	0.5	0.098	0.99	0.97	0.929	0.943	0.637
Compound_380	NC(=O)c1ccccc1Br	0.848	0.262	0.162	0.331	0.114	0.695	0.944	0.006	0.537	0.692	0.197
Compound_381	CCCCCCCCCCCC(=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_382	O=Cc1ccc(c(c1)Br)O	0.94	0.171	0.264	0.638	0.679	0.624	0.982	0.886	0.579	0.969	0.897
Compound_383	ClC(C#N)I	0.956	0.281	0.273	0.597	0.366	0.35	0.879	0.999	0.735	0.997	0.937
Compound_384	ClC(C1=C(Cl)C(=O)OC1)Cl	0.95	0.427	0.397	0.652	0.256	0.431	0.997	0.998	0.885	0.989	0.955
Compound_385	Clc1ccc2c(c1)c1ccccc1[nH]2	0.929	0.626	0.963	0.523	0.807	0.735	0.999	0.508	0.993	0.985	0.853
Compound_386	O=CC(Br)Br	0.858	0.094	0.407	0.584	0.483	0.33	0.968	1.0	0.897	1.0	0.975
Compound_387	BrCC(Br)C	0.88	0.095	0.523	0.649	0.203	0.052	0.995	0.99	0.686	0.999	0.871
Compound_388	ClC1=C(Cl)C(=C(C1)Cl)Cl	0.904	0.555	0.474	0.617	0.558	0.423	0.999	0.95	0.815	0.998	0.716
Compound_389	OC(=O)CCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_390	OC1=CC(=O)C(=CC1=O)Br	0.849	0.344	0.263	0.639	0.713	0.346	0.914	0.961	0.744	0.865	0.85
Compound_391	NC(=O)Cc1ccc(cc1Cl)Cl	0.089	0.23	0.13	0.354	0.243	0.22	0.982	0.094	0.303	0.4	0.219
Compound_392	NC(=O)Cc1c(Cl)cccc1Cl	0.133	0.23	0.142	0.325	0.137	0.187	0.989	0.021	0.233	0.4	0.219
Compound_393	NC(=O)Cc1ccc(c(c1)Cl)Cl	0.093	0.23	0.438	0.333	0.046	0.158	0.995	0.369	0.549	0.4	0.219
Compound_394	CC1=C(C)C(=O)C(=C(C1=O)Cl)Cl	0.848	0.428	0.537	0.698	0.401	0.227	0.969	0.997	0.878	0.995	0.876
Compound_395	Oc1c(Cl)cccc1Br	0.962	0.146	0.595	0.558	0.622	0.581	0.991	0.906	0.817	0.997	0.972
Compound_396	Brc1ccc(c(c1)Cl)O	0.973	0.146	0.354	0.527	0.646	0.596	0.964	0.772	0.642	0.997	0.972
Compound_397	Brc1ccc(c(c1)Cl)N	0.95	0.215	0.943	0.658	0.292	0.651	0.998	0.929	0.74	0.995	0.377
Compound_398	NC(=O)C(Br)(Cl)Cl	0.603	0.085	0.034	0.374	0.629	0.368	0.868	0.284	0.505	0.905	0.78
Compound_399	Clc1cc(Cl)c(c(c1)C(=O)O)O	0.514	0.21	0.066	0.367	0.446	0.18	0.496	0.593	0.519	0.902	0.306
Compound_400	OC(=O)c1cc(Cl)c(c(c1)Cl)O	0.706	0.164	0.134	0.449	0.849	0.483	0.989	0.814	0.649	0.915	0.53
Compound_401	CC1=C(Cl)C(=O)C(=C(C1=O)O)Cl	0.657	0.409	0.177	0.654	0.177	0.18	0.937	0.982	0.641	0.874	0.742
Compound_402	O=NN(CCCC(=O)c1cccnc1)C	0.024	0.343	0.175	0.415	0.033	0.127	0.001	0.078	0.07	0.005	0.306
Compound_403	OC(=O)C(Br)(Cl)Cl	0.781	0.016	0.047	0.438	0.604	0.257	0.91	0.998	0.652	0.668	0.975
Compound_404	Oc1cnc(c(c1)Br)Cl	0.607	0.201	0.931	0.633	0.372	0.484	0.126	0.936	0.606	0.986	0.929
Compound_405	Brc1cnc(c(c1)O)Cl	0.613	0.201	0.909	0.611	0.391	0.491	0.126	0.951	0.606	0.986	0.929
Compound_406	Clc1cc(Cl)c(c(c1)N(=O)=O)O	0.884	0.152	0.84	0.616	0.649	0.485	0.994	0.995	0.688	0.986	0.96
Compound_407	O=N(=O)c1cc(Cl)c(c(c1)Cl)O	0.917	0.145	0.693	0.646	0.796	0.329	0.997	0.994	0.695	0.988	0.972
Compound_408	O=C1c2ccccc2C(=O)c2c1cccc2	0.936	0.768	0.89	0.621	0.359	0.931	0.929	0.873	0.75	0.83	0.999
Compound_409	ClC(Br)Br	0.912	0.088	0.324	0.575	0.636	0.212	0.974	0.983	0.911	1.0	0.923
Compound_410	ClC(N(=O)=O)(Br)Cl	0.853	0.104	0.353	0.599	0.679	0.272	0.818	0.995	0.693	0.989	0.884
Compound_411	OC(=O)/C(=C(/C(=O)O)\C)/Br	0.729	0.155	0.063	0.416	0.682	0.08	0.947	0.992	0.723	0.906	0.977
Compound_412	BrCCCCCCC(=O)O	0.535	0.069	0.167	0.539	0.163	0.034	0.967	0.926	0.082	0.7	0.603
Compound_413	O=NN(CCCC(c1cccnc1)O)C	0.024	0.315	0.061	0.399	0.02	0.261	0.004	0.017	0.185	0.002	0.168
Compound_414	OC(=O)c1cc(ccc1C(=O)O)C(=O)O	0.574	0.08	0.409	0.407	0.061	0.083	0.933	0.531	0.655	0.083	0.393
Compound_415	OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O	0.57	0.096	0.409	0.373	0.026	0.081	0.659	0.652	0.75	0.011	0.337
Compound_416	OC(=O)c1c(cccc1C(=O)O)C(=O)O	0.575	0.08	0.448	0.337	0.055	0.053	0.92	0.074	0.727	0.083	0.393
Compound_417	ClN=C1C=C(Cl)C(=O)C(=C1)Cl	0.878	0.55	0.637	0.721	0.532	0.523	0.986	0.998	0.885	0.987	0.722
Compound_418	O=c1cc(C)c2c(o1)cc(c(c2)O)Cl	0.943	0.465	0.823	0.512	0.823	0.415	0.939	0.879	0.804	0.976	0.853
Compound_419	ClC(I)Cl	0.932	0.21	0.324	0.575	0.692	0.437	0.886	0.983	0.627	1.0	0.811
Compound_420	O=C1C=C(Cl)C(=O)C(=C1Cl)Cl	0.949	0.412	0.637	0.68	0.587	0.525	0.99	0.999	0.901	0.997	0.865
Compound_421	COc1c(Cl)cc(cc1Cl)Cl	0.905	0.172	0.819	0.722	0.079	0.157	0.994	0.132	0.668	0.99	0.752
Compound_422	OC(=O)C(c1ccccc1)c1ccccc1	0.058	0.453	0.156	0.225	0.21	0.135	0.995	0.032	0.203	0.296	0.587
Compound_423	CCCCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_424	ClCCc1cc(C)cc(c1)C	0.761	0.174	0.846	0.666	0.189	0.34	0.995	0.575	0.903	0.949	0.485
Compound_425	COc1cc(cc(c1O)N(=O)=O)N(=O)=O	0.866	0.165	0.833	0.598	0.651	0.624	0.994	0.9	0.793	0.975	0.913
Compound_426	Oc1cc(Cl)c(c(c1O)Cl)Cl	0.954	0.144	0.935	0.698	0.662	0.691	0.95	0.997	0.915	0.987	0.893
Compound_427	NC(=O)Cc1cccc(c1)Br	0.161	0.147	0.153	0.327	0.518	0.257	0.867	0.021	0.562	0.177	0.071
Compound_428	NC(=O)Cc1ccccc1Br	0.237	0.228	0.142	0.324	0.102	0.683	0.867	0.016	0.579	0.239	0.102
Compound_429	CCCCCCCCCCCCC(=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_430	OC(=O)C(Oc1ccc(cc1C)Cl)C	0.052	0.098	0.36	0.475	0.065	0.051	0.112	0.044	0.204	0.882	0.159
Compound_431	O=Cc1ccc(c(c1)Br)OC	0.92	0.216	0.707	0.717	0.674	0.625	0.879	0.056	0.628	0.974	0.836
Compound_432	OC1=C(Cl)C(=O)C(C1=O)(Cl)Cl	0.863	0.421	0.372	0.623	0.572	0.649	0.991	0.942	0.355	0.703	0.95
Compound_433	OC(=O)[C@H](Cc1ccc(c(c1)Cl)O)N	0.17	0.191	0.017	0.256	0.664	0.251	0.003	0.03	0.158	0.01	0.042
Compound_434	BrC(C(=O)C)Br	0.873	0.121	0.435	0.619	0.568	0.104	0.985	0.997	0.741	1.0	0.951
Compound_435	Brc1ccc(c(c1)C(=O)N)O	0.755	0.435	0.261	0.396	0.567	0.62	0.753	0.019	0.427	0.186	0.538
Compound_436	OC(=O)CCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_437	Cln1c2ccccc2[nH]c2c1cccc2	0.769	0.595	0.416	0.515	0.822	0.499	0.975	0.131	0.727	0.862	0.699
Compound_438	BrC(C(=O)N)Br	0.249	0.083	0.034	0.307	0.39	0.104	0.26	0.708	0.674	0.899	0.605
Compound_439	OC(=O)c1ccc(c(c1)Br)O	0.792	0.151	0.105	0.487	0.679	0.652	0.949	0.648	0.462	0.889	0.71
Compound_440	OC(=O)c1cccc(c1O)Br	0.602	0.198	0.155	0.375	0.669	0.601	0.244	0.06	0.416	0.872	0.539
Compound_441	Brc1ccc(c(c1)C(=O)O)O	0.629	0.198	0.072	0.379	0.587	0.598	0.174	0.133	0.44	0.872	0.539
Compound_442	O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl	0.898	0.128	0.085	0.398	0.261	0.541	0.998	0.999	0.806	0.865	0.993
Compound_443	O=CC(=C(C(=O)O)Cl)C(Cl)Cl	0.898	0.128	0.085	0.398	0.261	0.541	0.998	0.999	0.806	0.865	0.993
Compound_444	ClC(C1(O)C=CC(=O)O1)(Cl)Cl	0.958	0.279	0.106	0.631	0.474	0.729	0.962	0.979	0.366	0.853	0.839
Compound_445	ClC(C1=C(Cl)C(=O)OC1O)Cl	0.952	0.385	0.102	0.643	0.196	0.418	0.976	0.989	0.84	0.947	0.918
Compound_446	BrC(C(=O)O)Br	0.48	0.032	0.047	0.438	0.541	0.098	0.608	0.998	0.511	0.511	0.923
Compound_447	O=N(=O)c1ccc(c(c1)Br)O	0.983	0.14	0.632	0.637	0.629	0.652	0.997	0.996	0.644	0.991	0.933
Compound_448	O=N(=O)c1cc(Cl)c(c(c1)N(=O)=O)O	0.921	0.164	0.93	0.627	0.81	0.655	0.995	0.994	0.685	0.994	0.964
Compound_449	BrC(N(=O)=O)Br	0.745	0.088	0.418	0.605	0.482	0.288	0.555	0.998	0.901	0.999	0.839
Compound_450	NC(=O)C(I)Cl	0.4	0.139	0.034	0.307	0.256	0.255	0.848	0.708	0.511	0.896	0.744
Compound_451	O=C(C(Cl)(Cl)Cl)CCC(=O)O	0.655	0.057	0.095	0.412	0.379	0.66	0.961	0.891	0.163	0.083	0.573
Compound_452	ClC(=C(C(=O)O)Br)Cl	0.761	0.199	0.215	0.411	0.793	0.351	0.999	0.999	0.548	0.933	0.959
Compound_453	Cl/C(=C(\C(=O)O)/Cl)/Br	0.859	0.199	0.215	0.411	0.545	0.053	0.999	0.999	0.931	0.933	0.959
Compound_454	Cl/C(=C(/C(=O)O)\Cl)/Br	0.859	0.199	0.215	0.411	0.545	0.053	0.999	0.999	0.931	0.933	0.959
Compound_455	O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C	0.971	0.344	0.827	0.741	0.341	0.176	0.766	0.995	0.896	0.999	0.934
Compound_456	OC(=O)C(I)Cl	0.724	0.111	0.047	0.438	0.228	0.149	0.895	0.998	0.587	0.481	0.844
Compound_457	O=C1C=C(Cl)C(=O)C(=C1)Br	0.953	0.394	0.637	0.702	0.813	0.44	0.997	0.999	0.9	0.998	0.945
Compound_458	CCOC(=O)c1ccccc1C(=O)OCC	0.806	0.093	0.968	0.586	0.053	0.034	0.994	0.01	0.442	0.797	0.584
Compound_459	OC(=O)c1c(Cl)c(O)cc(c1Cl)O	0.781	0.184	0.175	0.4	0.679	0.377	0.64	0.507	0.755	0.954	0.236
Compound_460	COc1ccc2c(c1)oc(=O)c(c2C)Cl	0.794	0.793	0.915	0.614	0.899	0.295	0.449	0.22	0.781	0.611	0.716
Compound_461	CCCCCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_462	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.77	0.491	0.845	0.702	0.506	0.898	0.825	0.982	0.899	0.994	0.996
Compound_463	O=C1C(=C(Cl)C(=O)C(=C1Cl)Cl)O	0.82	0.384	0.293	0.626	0.442	0.262	0.957	0.973	0.702	0.842	0.737
Compound_464	O=N(=O)c1cc(C(=O)O)c(c(c1)N(=O)=O)O	0.571	0.119	0.486	0.434	0.735	0.742	0.107	0.97	0.53	0.827	0.905
Compound_465	CCCCCCCCCCCCCC(=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_466	Oc1ccc(cc1Br)C(C)(C)C	0.958	0.149	0.642	0.648	0.677	0.677	0.871	0.611	0.686	0.996	0.844
Compound_467	COC1=C(Cl)C(=O)C(C1=O)(Cl)Cl	0.885	0.426	0.773	0.657	0.343	0.658	0.999	0.989	0.405	0.673	0.913
Compound_468	OC(=O)C(=C(C(=O)O)Cl)Br	0.862	0.15	0.047	0.444	0.736	0.16	0.989	0.998	0.931	0.806	0.986
Compound_469	OC(=O)C(=C(C(=O)O)Cl)Br	0.862	0.15	0.047	0.444	0.736	0.16	0.989	0.998	0.931	0.806	0.986
Compound_470	OC(=O)CC(C(=O)C)(Br)Cl	0.615	0.047	0.037	0.427	0.756	0.23	0.993	0.975	0.448	0.214	0.862
Compound_471	BrC(=CC(=O)O)Br	0.77	0.209	0.07	0.466	0.474	0.127	0.994	0.994	0.86	0.922	0.938
Compound_472	OC(=O)/C(=C\Br)/Br	0.865	0.134	0.051	0.438	0.767	0.155	0.994	0.998	0.86	0.922	0.971
Compound_473	OC(=O)/C(=C/Br)/Br	0.865	0.134	0.051	0.438	0.767	0.155	0.994	0.998	0.86	0.922	0.971
Compound_474	ClC(C(=O)C(Cl)(Cl)Cl)Cl	0.964	0.089	0.174	0.58	0.58	0.951	0.987	0.974	0.143	0.999	0.989
Compound_475	N#Cc1cc(Br)cc(c1O)Cl	0.967	0.163	0.703	0.636	0.668	0.642	0.986	0.957	0.68	0.97	0.989
Compound_476	N#Cc1cc(Cl)c(c(c1)Br)O	0.963	0.146	0.585	0.685	0.699	0.688	0.99	0.952	0.71	0.97	0.989
Compound_477	Brc1cc(C)c(c(c1)C(=O)O)O	0.36	0.189	0.203	0.37	0.585	0.608	0.031	0.085	0.46	0.897	0.335
Compound_478	OC(=O)C(Br)(Br)C	0.541	0.021	0.046	0.441	0.628	0.093	0.983	0.956	0.391	0.662	0.91
Compound_479	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_480	N#CC(Br)(Br)Cl	0.922	0.174	0.273	0.661	0.392	0.131	0.93	0.983	0.921	0.998	0.974
Compound_481	ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl	0.865	0.156	0.065	0.399	0.255	0.193	0.94	0.997	0.716	0.685	0.989
Compound_482	ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl	0.865	0.156	0.065	0.399	0.255	0.193	0.94	0.997	0.716	0.685	0.989
Compound_483	O=C1C=CC(=O)C(=C1)I	0.925	0.395	0.637	0.733	0.348	0.366	0.927	0.996	0.799	0.994	0.68
Compound_484	Cc1ccc(c(c1)I)O	0.848	0.134	0.78	0.662	0.395	0.319	0.328	0.975	0.347	0.988	0.512
Compound_485	Ic1ccc(c(c1)C)O	0.766	0.134	0.882	0.686	0.201	0.12	0.466	0.938	0.518	0.988	0.512
Compound_486	CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.632	0.089	0.228	0.635	0.383	0.956	0.078	0.941	0.931	0.992	0.584
Compound_487	O=Cc1cc(Cl)c(c(c1)Br)O	0.913	0.186	0.301	0.617	0.696	0.63	0.995	0.91	0.557	0.987	0.956
Compound_488	ClC1C(=C(C(=C1Cl)Cl)Cl)Cl	0.883	0.555	0.68	0.61	0.711	0.568	0.999	0.983	0.809	0.998	0.716
Compound_489	Clc1ccc2c(c1)c1cc(Cl)ccc1[nH]2	0.937	0.626	0.958	0.522	0.804	0.727	0.998	0.323	0.993	0.985	0.853
Compound_490	O=CC(Br)(Br)Cl	0.926	0.079	0.407	0.642	0.599	0.483	0.991	0.992	0.929	1.0	0.99
Compound_491	ClC(C(Cl)(Cl)Cl)(Cl)Cl	0.923	0.079	0.433	0.615	0.515	0.579	0.895	0.883	0.115	0.999	0.91
Compound_492	O=C1C=C(Br)C(=O)c2c1cccc2	0.743	0.428	0.918	0.733	0.799	0.685	0.527	0.941	0.892	0.998	0.993
Compound_493	CC(=CC=CC(=O)O)I	0.716	0.222	0.104	0.486	0.598	0.156	0.995	0.963	0.694	0.936	0.766
Compound_494	Cn1cnc(c1Br)Br	0.462	0.397	0.313	0.618	0.37	0.248	0.051	0.634	0.916	0.738	0.415
Compound_495	CCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.808	0.494	1.0	0.999	0.986	1.0	0.94
Compound_496	Brc1cc(Cl)c(c(c1)Cl)O	0.967	0.146	0.452	0.507	0.649	0.602	0.996	0.969	0.822	0.997	0.972
Compound_497	Clc1cc(Cl)c(c(c1)Br)O	0.963	0.146	0.452	0.507	0.63	0.59	0.989	0.969	0.86	0.997	0.972
Compound_498	CCCCCCCCCCCCCCC(=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_499	C/C(=C(/C(=O)O)\Br)/Br	0.789	0.133	0.046	0.492	0.715	0.112	0.997	0.992	0.86	0.972	0.94
Compound_500	OC(=O)CCCCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_501	ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl	0.906	0.412	0.44	0.648	0.731	0.446	0.988	1.0	0.901	0.997	0.865
Compound_502	ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl	0.858	0.384	0.94	0.653	0.764	0.655	0.987	0.999	0.55	0.991	0.821
Compound_503	CCC(C(=O)O)(Br)Br	0.432	0.032	0.397	0.517	0.661	0.087	0.992	0.984	0.338	0.587	0.744
Compound_504	Brc1ccc2c(c1)c1ccccc1[nH]2	0.923	0.63	0.963	0.523	0.671	0.652	0.993	0.508	0.841	0.989	0.804
Compound_505	NC(=O)c1ccccc1I	0.718	0.29	0.162	0.331	0.02	0.219	0.914	0.006	0.391	0.494	0.29
Compound_506	O=Cc1c(O)cccc1I	0.825	0.226	0.457	0.72	0.277	0.303	0.909	0.872	0.415	0.921	0.561
Compound_507	O=Cc1ccc(c(c1)I)O	0.881	0.194	0.264	0.638	0.568	0.697	0.951	0.886	0.376	0.917	0.597
Compound_508	Ic1cc(C)c(c(c1)C)O	0.584	0.136	0.577	0.654	0.211	0.22	0.155	0.945	0.612	0.961	0.489
Compound_509	Cc1cc(I)c(cc1C)O	0.872	0.136	0.749	0.651	0.642	0.192	0.926	0.991	0.356	0.961	0.489
Compound_510	NC(=O)Cc1c(Cl)cccc1Br	0.331	0.228	0.142	0.325	0.179	0.669	0.993	0.021	0.547	0.502	0.222
Compound_511	N#CC(=C(c1ccccc1)c1ccccc1)C(=O)O	0.877	0.665	0.093	0.248	0.928	0.488	0.998	0.184	0.534	0.526	0.963
Compound_512	CC1=C(Cl)C(=O)C(=C(C1=O)Br)C	0.92	0.41	0.537	0.717	0.784	0.339	0.986	0.997	0.878	0.997	0.947
Compound_513	OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)O)N	0.129	0.191	0.024	0.401	0.633	0.278	0.007	0.024	0.16	0.01	0.042
Compound_514	ClCC(=O)C(Br)Br	0.952	0.067	0.44	0.598	0.73	0.282	0.997	0.999	0.916	0.998	0.991
Compound_515	Cc1cc2c(cc1Cl)C(C)(C)CC(C2(C)C)C	0.78	0.361	0.137	0.651	0.768	0.433	0.763	0.361	0.915	0.997	0.642
Compound_516	Brc1c(N)cccc1Br	0.927	0.241	0.997	0.605	0.567	0.652	0.994	0.981	0.939	0.993	0.251
Compound_517	Brc1ccc(c(n1)Br)O	0.71	0.178	0.708	0.589	0.537	0.559	0.914	0.971	0.819	0.962	0.866
Compound_518	NC(=O)C(Br)(Br)Cl	0.561	0.085	0.034	0.374	0.616	0.175	0.91	0.284	0.712	0.905	0.78
Compound_519	OC(=O)c1cc(Cl)c(c(c1)Br)O	0.813	0.165	0.134	0.449	0.696	0.647	0.991	0.814	0.46	0.952	0.848
Compound_520	Brc1cc(Cl)c(c(c1)C(=O)O)O	0.679	0.212	0.066	0.367	0.646	0.622	0.612	0.593	0.422	0.944	0.725
Compound_521	Clc1cc(Br)c(c(c1)C(=O)O)O	0.633	0.212	0.066	0.367	0.68	0.62	0.374	0.593	0.421	0.944	0.725
Compound_522	Brc1cccc(c1O)Br	0.96	0.134	0.595	0.558	0.552	0.707	0.996	0.906	0.601	0.996	0.929
Compound_523	Brc1ccc(c(c1)Br)O	0.976	0.134	0.354	0.527	0.67	0.722	0.991	0.772	0.45	0.996	0.929
Compound_524	OC(=O)C(Br)(Br)Cl	0.751	0.016	0.047	0.438	0.604	0.142	0.94	0.998	0.845	0.668	0.975
Compound_525	Clc1cc(Br)c(c(c1)N(=O)=O)O	0.909	0.157	0.84	0.616	0.666	0.652	0.996	0.995	0.65	0.992	0.937
Compound_526	Clc1cc(cc(c1O)Br)N(=O)=O	0.951	0.15	0.693	0.646	0.672	0.652	0.999	0.994	0.639	0.993	0.952
Compound_527	Brc1cc(Cl)c(c(c1)N(=O)=O)O	0.936	0.157	0.84	0.616	0.69	0.652	0.999	0.995	0.619	0.992	0.937
Compound_528	BrC(Br)Br	0.9	0.087	0.324	0.575	0.525	0.185	0.888	0.983	0.926	1.0	0.896
Compound_529	ClC(N(=O)=O)(Br)Br	0.816	0.104	0.353	0.599	0.653	0.214	0.909	0.995	0.892	0.989	0.884
Compound_530	OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O	0.607	0.08	0.375	0.354	0.053	0.098	0.954	0.377	0.765	0.083	0.393
Compound_531	Oc1ccc(c(c1)I)Cl	0.925	0.175	0.909	0.625	0.492	0.236	0.634	0.813	0.645	0.994	0.841
Compound_532	CCCCCCCCCc1ccc(c(c1)Cl)O	0.92	0.218	0.249	0.671	0.884	0.603	0.404	0.927	0.888	0.998	0.963
Compound_533	ClC(I)Br	0.911	0.2	0.324	0.575	0.666	0.306	0.974	0.983	0.745	1.0	0.858
Compound_534	OC(=O)/C(=C(\C(=O)O)/C)/I	0.736	0.224	0.063	0.416	0.256	0.077	0.876	0.992	0.497	0.806	0.874
Compound_535	CCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_536	ClNC(C(=O)NCC(=O)O)Cc1ccccc1	0.022	0.256	0.046	0.289	0.014	0.012	0.006	0.098	0.207	0.013	0.456
Compound_537	COc1cc2oc(=O)c(c(c2cc1Cl)C)Cl	0.822	0.665	0.871	0.576	0.757	0.473	0.85	0.173	0.863	0.611	0.918
Compound_538	OC1=C(Cl)C(=O)C(C1=O)(Cl)Br	0.894	0.411	0.372	0.623	0.767	0.639	0.997	0.942	0.471	0.814	0.98
Compound_539	NC(=O)Cc1ccccc1I	0.077	0.257	0.142	0.324	0.031	0.199	0.887	0.016	0.37	0.12	0.301
Compound_540	ClC(C1=C(Cl)C(=O)OC1O)Br	0.943	0.365	0.102	0.643	0.384	0.318	0.987	0.989	0.89	0.964	0.967
Compound_541	O=C/C(=C(/C(=O)O)\Cl)/C(Br)Cl	0.857	0.118	0.085	0.398	0.44	0.29	1.0	0.999	0.868	0.922	0.996
Compound_542	Oc1ccc(cc1)C(c1ccc(cc1Cl)O)(C)C	0.947	0.517	0.639	0.611	0.985	0.843	0.933	0.868	0.735	0.99	0.99
Compound_543	NC(=O)C(I)Br	0.26	0.151	0.034	0.307	0.483	0.341	0.26	0.708	0.525	0.899	0.623
Compound_544	OC(=O)c1ccc(c(c1)I)O	0.675	0.178	0.105	0.487	0.731	0.487	0.905	0.648	0.316	0.741	0.3
Compound_545	OC(=O)c1c(O)cccc1I	0.461	0.227	0.19	0.436	0.315	0.108	0.12	0.276	0.289	0.709	0.211
Compound_546	Cl/C(=C(/C(=O)O)\Br)/Br	0.75	0.199	0.215	0.411	0.788	0.183	0.999	0.999	0.843	0.933	0.959
Compound_547	ClC(=C(C(=O)O)Br)Br	0.75	0.199	0.215	0.411	0.788	0.183	0.999	0.999	0.843	0.933	0.959
Compound_548	BrC(=C(C(=O)O)Cl)Br	0.892	0.199	0.215	0.411	0.5	0.082	0.999	0.999	0.931	0.933	0.959
Compound_549	O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.936	0.089	0.592	0.651	0.602	0.858	0.987	0.987	0.162	0.999	0.989
Compound_550	COc1ccc2c(c1Cl)ccc(c2)C(C(=O)O)C	0.041	0.592	0.046	0.482	0.911	0.681	0.925	0.206	0.428	0.674	0.911
Compound_551	OC(=O)C(I)Br	0.493	0.11	0.047	0.438	0.61	0.339	0.608	0.998	0.411	0.511	0.831
Compound_552	O=C1C=C(Br)C(=O)C(=C1)Br	0.963	0.373	0.637	0.702	0.744	0.277	0.964	0.999	0.934	0.997	0.91
Compound_553	COc1ccc(cc1Br)Br	0.972	0.161	0.866	0.734	0.662	0.712	0.993	0.182	0.457	0.992	0.856
Compound_554	Cc1cc(Br)c(c(c1)Br)O	0.917	0.111	0.81	0.661	0.666	0.811	0.825	0.971	0.531	0.995	0.816
Compound_555	Oc1cc(Br)c(cc1Br)O	0.969	0.166	0.486	0.574	0.418	0.651	0.985	0.974	0.832	0.985	0.954
Compound_556	Oc1cc(Br)c(c(c1)Br)O	0.959	0.166	0.621	0.583	0.417	0.614	0.981	0.62	0.623	0.985	0.954
Compound_557	N#CNC(=NC)NCCS(=O)Cc1[nH]cnc1C	0.219	0.338	0.642	0.287	0.252	0.755	0.0	0.468	0.293	0.065	0.27
Compound_558	O=C1C=C(Cl)C(=O)C(=C1)I	0.925	0.406	0.637	0.702	0.621	0.499	0.99	0.999	0.738	0.997	0.776
Compound_559	CCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_560	ClNC(C(=O)NCC(=O)O)Cc1ccc(cc1)O	0.058	0.269	0.014	0.335	0.083	0.06	0.001	0.096	0.203	0.043	0.395
Compound_561	ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl	0.914	0.67	0.853	0.609	0.695	0.585	0.998	0.774	0.548	0.998	0.818
Compound_562	Br/C(=C(/C(=O)O)\Br)/C(=O)O	0.828	0.16	0.047	0.444	0.746	0.166	0.886	0.998	0.86	0.78	0.976
Compound_563	BrC(=C(C(=O)O)Br)C(=O)O	0.828	0.16	0.047	0.444	0.746	0.166	0.886	0.998	0.86	0.78	0.976
Compound_564	OC(=O)CC(C(=O)C)(Br)Br	0.474	0.027	0.037	0.427	0.672	0.145	0.952	0.975	0.407	0.231	0.76
Compound_565	OC(=O)c1cc(C)c(c(c1)I)O	0.404	0.145	0.056	0.402	0.509	0.54	0.275	0.444	0.428	0.785	0.166
Compound_566	OC(=O)C(=CBr)I	0.888	0.214	0.051	0.438	0.574	0.312	0.994	0.998	0.685	0.922	0.898
Compound_567	Br/C(=C\C(=O)O)/I	0.787	0.289	0.07	0.466	0.587	0.303	0.994	0.994	0.685	0.922	0.852
Compound_568	BrC(=CC(=O)O)I	0.787	0.289	0.07	0.466	0.587	0.303	0.994	0.994	0.685	0.922	0.852
Compound_569	N#Cc1cc(Br)c(c(c1)Br)O	0.966	0.139	0.585	0.685	0.685	0.898	0.974	0.952	0.551	0.959	0.973
Compound_570	N#Cc1cc(Br)cc(c1O)Br	0.972	0.156	0.703	0.636	0.689	0.778	0.958	0.957	0.379	0.959	0.972
Compound_571	N#CC(Br)(Br)Br	0.906	0.17	0.273	0.661	0.309	0.116	0.772	0.983	0.938	0.997	0.963
Compound_572	NC(=O)c1cc(Br)cc(c1)Br	0.873	0.201	0.232	0.414	0.508	0.548	0.93	0.13	0.476	0.567	0.121
Compound_573	O=Cc1cc(Br)c(c(c1)Br)O	0.929	0.171	0.301	0.617	0.677	0.771	0.99	0.91	0.486	0.969	0.897
Compound_574	O=Cc1c(Br)cc(cc1Br)O	0.934	0.171	0.167	0.649	0.577	0.606	0.978	0.59	0.639	0.969	0.897
Compound_575	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_576	O=C1C=C(Br)C(=O)C(=C1O)Br	0.909	0.344	0.263	0.653	0.713	0.322	0.914	0.98	0.744	0.865	0.85
Compound_577	O=C1C=C(I)C(=O)c2c1cccc2	0.655	0.416	0.918	0.733	0.194	0.429	0.33	0.941	0.714	0.994	0.913
Compound_578	COc1ccc(cc1)C(=O)Oc1ccc(cc1)C(C)(C)C	0.848	0.566	0.755	0.68	0.963	0.926	0.984	0.028	0.866	0.44	0.557
Compound_579	CCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_580	ClC(C(=O)C(Br)Cl)Br	0.953	0.093	0.44	0.594	0.747	0.316	0.997	0.999	0.858	1.0	0.989
Compound_581	Cc1ccc(c(c1)OCCC(C(C(=O)O)(C)C)Cl)C	0.1	0.315	0.473	0.459	0.797	0.435	0.054	0.892	0.288	0.332	0.387
Compound_582	Brc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.827	0.149	0.476	0.649	0.595	0.632	0.096	0.933	0.743	0.996	0.844
Compound_583	Brc1cc(Cl)c(c(c1)Br)N	0.952	0.215	0.933	0.615	0.586	0.652	0.999	0.545	0.655	0.995	0.377
Compound_584	Brc1cc(Cl)c(c(c1)Br)O	0.957	0.146	0.452	0.507	0.686	0.69	0.998	0.969	0.427	0.997	0.972
Compound_585	Clc1cc(Br)c(c(c1)Br)O	0.935	0.146	0.452	0.507	0.584	0.694	0.989	0.969	0.661	0.997	0.972
Compound_586	ClNC(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)O	0.068	0.242	0.01	0.294	0.066	0.038	0.001	0.084	0.303	0.639	0.279
Compound_587	ClC(Br)(Br)Br	0.922	0.079	0.453	0.591	0.692	0.129	0.962	0.979	0.923	1.0	0.947
Compound_588	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	0.657	0.415	0.921	0.573	0.462	0.308	0.046	0.043	0.121	0.879	0.294
Compound_589	CCCCCCCCCc1cc(Cl)c(c(c1)Cl)O	0.932	0.218	0.364	0.675	0.843	0.576	0.841	0.946	0.923	0.998	0.963
Compound_590	ClN(C(C(=O)NCC(=O)O)Cc1ccccc1)Cl	0.013	0.238	0.01	0.258	0.021	0.019	0.006	0.024	0.121	0.008	0.439
Compound_591	NC(=O)Cc1c(Br)cccc1Br	0.303	0.228	0.142	0.325	0.104	0.659	0.925	0.021	0.52	0.239	0.102
Compound_592	CC1=C(C)C(=O)C(=C(C1=O)Br)Br	0.94	0.388	0.537	0.698	0.696	0.197	0.866	0.997	0.913	0.997	0.924
Compound_593	BrCC(=O)C(Br)Br	0.884	0.07	0.44	0.598	0.571	0.135	0.976	0.999	0.648	0.997	0.98
Compound_594	CC(=O)C(Br)(Br)Br	0.88	0.079	0.435	0.666	0.55	0.147	0.985	0.98	0.937	1.0	0.961
Compound_595	CC1CC(C)(C)c2c(C1(C)C)c(Cl)c(c(c2)C(=O)O)C	0.803	0.371	0.018	0.389	0.853	0.697	0.968	0.154	0.56	0.96	0.65
Compound_596	NC(=O)C(Br)(Br)Br	0.445	0.077	0.034	0.374	0.5	0.124	0.26	0.284	0.864	0.784	0.638
Compound_597	Brc1cc(Br)c(c(c1)C(=O)O)O	0.688	0.198	0.066	0.367	0.678	0.811	0.274	0.593	0.371	0.872	0.539
Compound_598	OC(=O)c1cc(Br)c(c(c1)Br)O	0.806	0.151	0.134	0.449	0.676	0.794	0.973	0.814	0.428	0.889	0.71
Compound_599	OC(=O)C(Br)(Br)Br	0.635	0.015	0.047	0.438	0.615	0.122	0.608	0.998	0.846	0.596	0.95
Compound_600	Brc1cc(Br)c(c(c1)N(=O)=O)O	0.926	0.147	0.84	0.616	0.692	0.657	0.999	0.995	0.426	0.988	0.915
Compound_601	O=N(=O)c1cc(Br)c(c(c1)Br)O	0.945	0.14	0.693	0.646	0.622	0.653	0.999	0.994	0.553	0.991	0.933
Compound_602	Oc1ccc(cc1)C(c1cc(Cl)c(c(c1)Cl)O)(C)C	0.973	0.517	0.748	0.678	0.957	0.828	0.967	0.957	0.721	0.99	0.99
Compound_603	Oc1ccc(cc1)C(c1c(Cl)cc(cc1Cl)O)(C)C	0.963	0.517	0.668	0.648	0.987	0.887	0.95	0.94	0.722	0.99	0.99
Compound_604	BrC(N(=O)=O)(Br)Br	0.824	0.092	0.353	0.599	0.592	0.212	0.8	0.995	0.911	0.983	0.858
Compound_605	OC(C(Br)(Br)Br)O	0.772	0.07	0.135	0.579	0.087	0.154	0.828	0.063	0.825	0.469	0.952
Compound_606	BrCCCCCCCCCc1ccccc1O	0.796	0.272	0.535	0.729	0.465	0.614	0.902	0.96	0.663	0.983	0.842
Compound_607	ClN=C1C=C(Br)C(=O)C(=C1)Br	0.933	0.529	0.637	0.721	0.734	0.307	0.991	0.998	0.925	0.993	0.734
Compound_608	BrC(I)Br	0.899	0.211	0.324	0.575	0.578	0.338	0.888	0.983	0.762	1.0	0.826
Compound_609	OC(=O)c1cc(C)c(c(c1Cl)I)O	0.589	0.159	0.182	0.487	0.876	0.632	0.597	0.179	0.422	0.914	0.303
Compound_610	ClC(I)I	0.918	0.21	0.324	0.575	0.782	0.32	0.932	0.983	0.724	1.0	0.811
Compound_611	Brc1[nH]c(c(c1)Br)Br	0.758	0.365	0.561	0.586	0.511	0.638	0.851	0.665	0.992	0.959	0.711
Compound_612	OC1=C(Cl)C(=O)C(C1=O)(Br)Br	0.865	0.411	0.372	0.623	0.763	0.452	0.997	0.942	0.471	0.814	0.98
Compound_613	O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2Cl)O	0.946	0.868	0.082	0.479	0.987	0.927	0.041	0.554	0.066	0.998	0.983
Compound_614	O=C1CCC2C1(C)CCC1C2CCc2c1cc(Cl)c(c2)O	0.959	0.868	0.102	0.503	0.981	0.924	0.069	0.511	0.076	0.998	0.983
Compound_615	Clc1cc(Cl)c2c(c1)c1cc(Cl)cc(c1[nH]2)Cl	0.966	0.626	0.863	0.555	0.781	0.695	0.998	0.757	0.982	0.985	0.853
Compound_616	BrC(C1=C(Cl)C(=O)OC1O)Br	0.931	0.365	0.102	0.643	0.296	0.316	0.987	0.989	0.931	0.964	0.967
Compound_617	O=C/C(=C(/C(=O)O)\Cl)/C(Br)Br	0.768	0.118	0.085	0.398	0.332	0.28	1.0	0.999	0.913	0.922	0.996
Compound_618	OC(=O)CNC(=O)C(N(Cl)Cl)Cc1ccc(cc1)O	0.043	0.255	0.005	0.281	0.117	0.078	0.001	0.022	0.16	0.028	0.401
Compound_619	OC(=O)c1cc(I)c(c(c1)C(=O)O)O	0.443	0.2	0.116	0.381	0.391	0.471	0.057	0.679	0.392	0.409	0.34
Compound_620	BrC(=C(C(=O)O)Br)Br	0.797	0.209	0.215	0.411	0.762	0.169	0.99	0.999	0.86	0.922	0.938
Compound_621	IC(C(=O)O)I	0.528	0.11	0.047	0.438	0.378	0.245	0.299	0.998	0.338	0.271	0.744
Compound_622	OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl	0.155	0.446	0.182	0.339	0.955	0.736	0.992	0.05	0.16	0.056	0.334
Compound_623	O=C1C=C(Br)C(=O)C(=C1)I	0.967	0.377	0.637	0.702	0.751	0.453	0.964	0.999	0.775	0.997	0.811
Compound_624	CC1=C(Br)C(=O)C(=C(C1=O)Cl)Br	0.943	0.389	0.537	0.715	0.74	0.333	0.984	0.999	0.878	0.999	0.951
Compound_625	OC(=O)CCCCCCCCCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.153	0.083	0.704	0.036	0.039	0.16	0.087
Compound_626	O=C1C(=C(Br)C(=O)c2c1cccc2)Br	0.714	0.428	0.845	0.702	0.799	0.624	0.527	0.982	0.892	0.998	0.993
Compound_627	Brc1nc(c(n1C)Br)Br	0.589	0.398	0.205	0.568	0.377	0.267	0.051	0.696	0.967	0.82	0.39
Compound_628	N#CC(C(c1ccccc1)(c1ccccc1)Cl)(C(=O)O)Cl	0.892	0.516	0.101	0.511	0.9	0.464	0.998	0.977	0.525	0.194	0.991
Compound_629	ClN(C(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)O)Cl	0.047	0.224	0.004	0.243	0.094	0.054	0.001	0.018	0.282	0.666	0.361
Compound_630	COC(c1cc(Br)c(c(c1)Br)O)(C)C	0.887	0.205	0.661	0.676	0.679	0.798	0.986	0.709	0.431	0.976	0.9
Compound_631	CCCCC(COC(=O)C(c1ccccc1)c1ccccc1)CC	0.554	0.597	0.221	0.601	0.296	0.235	0.996	0.261	0.332	0.994	0.819
Compound_632	Brc1ccc2c(c1)c1cc(Br)ccc1[nH]2	0.91	0.63	0.958	0.522	0.668	0.652	0.993	0.323	0.843	0.989	0.804
Compound_633	CCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_634	ClC(C(=O)C(Br)Br)Br	0.95	0.093	0.44	0.594	0.73	0.282	0.997	0.999	0.858	1.0	0.989
Compound_635	BrCC(C(=O)O)(CCCOc1cc(C)ccc1C)C	0.075	0.362	0.32	0.436	0.586	0.584	0.03	0.918	0.353	0.902	0.72
Compound_636	Brc1cc(Br)c(c(c1)Br)N	0.948	0.241	0.933	0.615	0.558	0.652	0.993	0.545	0.662	0.993	0.251
Compound_637	Brc1cc(Br)c(c(n1)Br)O	0.613	0.178	0.72	0.508	0.53	0.545	0.928	0.982	0.645	0.962	0.866
Compound_638	Brc1cc(Br)c(c(c1)Br)O	0.948	0.134	0.452	0.507	0.668	0.72	0.994	0.969	0.389	0.996	0.929
Compound_639	BrNC(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)O	0.061	0.242	0.01	0.294	0.066	0.055	0.001	0.084	0.316	0.603	0.319
Compound_640	Oc1ccc(c(c1)Cl)C(c1c(Cl)cc(cc1Cl)O)(C)C	0.955	0.517	0.639	0.611	0.987	0.887	0.95	0.843	0.761	0.99	0.99
Compound_641	Oc1cc(c(c(c1O)O)I)S(=O)(=O)O	0.83	0.46	0.875	0.476	0.595	0.602	0.322	0.721	0.367	0.921	0.267
Compound_642	Clc1cc2C3CCC4(C(C3CCc2c(c1O)Cl)CCC4=O)C	0.948	0.868	0.143	0.517	0.982	0.875	0.075	0.552	0.091	0.998	0.983
Compound_643	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_644	CCCCOC(=O)C(CC(=O)OCCCC)CC(=O)OCCCC	0.653	0.005	0.154	0.683	0.129	0.096	0.992	0.794	0.612	0.997	0.913
Compound_645	COc1c(Br)cc(cc1Br)Br	0.949	0.161	0.819	0.722	0.659	0.712	0.998	0.132	0.385	0.992	0.856
Compound_646	COc1ccc(cc1)C(=O)C(C(=O)c1ccc(cc1)C(C)(C)C)Cl	0.852	0.616	0.865	0.738	0.972	0.996	0.472	0.496	0.551	0.058	0.972
Compound_647	Ic1ccc(c(c1)I)O	0.933	0.165	0.354	0.527	0.681	0.081	0.963	0.772	0.391	0.991	0.701
Compound_648	Ic1cccc(c1O)I	0.922	0.165	0.595	0.558	0.642	0.076	0.983	0.906	0.384	0.991	0.701
Compound_649	BrC(I)I	0.899	0.211	0.324	0.575	0.69	0.357	0.888	0.983	0.762	1.0	0.826
Compound_650	Brc1cc(Br)c(c(c1O)Br)O	0.964	0.235	0.555	0.552	0.675	0.705	0.985	0.985	0.36	0.965	0.887
Compound_651	OC(=O)c1oc(c(c1Br)Br)Br	0.324	0.157	0.833	0.41	0.639	0.526	0.975	0.857	0.727	0.905	0.698
Compound_652	OC1=C(Br)C(=O)C(C1=O)(Br)Br	0.829	0.381	0.372	0.623	0.712	0.375	0.973	0.942	0.462	0.818	0.96
Compound_653	BrC(C1=C(Br)C(=O)OC1O)Br	0.919	0.355	0.102	0.643	0.706	0.348	0.982	0.989	0.894	0.958	0.935
Compound_654	O=C/C(=C(/C(=O)O)\Br)/C(Br)Br	0.687	0.118	0.085	0.398	0.712	0.282	0.998	0.999	0.804	0.91	0.991
Compound_655	CCCCC(COC(=O)C(c1ccccc1)(c1ccccc1)Cl)CC	0.658	0.57	0.246	0.694	0.602	0.43	0.99	0.919	0.568	0.992	0.957
Compound_656	O=C1C=C(I)C(=O)C(=C1)I	0.93	0.395	0.637	0.702	0.547	0.262	0.864	0.999	0.756	0.994	0.68
Compound_657	CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O	0.656	0.034	0.095	0.703	0.201	0.199	0.952	0.58	0.54	0.603	0.671
Compound_658	COc1c(Br)cc(c(c1Br)O)Br	0.969	0.19	0.637	0.653	0.674	0.698	0.992	0.158	0.336	0.901	0.868
Compound_659	Oc1cc(I)c(c(c1)I)O	0.918	0.19	0.621	0.583	0.771	0.25	0.924	0.62	0.397	0.966	0.719
Compound_660	CC(c1c(Cl)cc(cc1Cl)O)(c1c(Cl)cc(cc1Cl)O)C	0.955	0.517	0.698	0.631	0.99	0.91	0.984	0.845	0.71	0.99	0.99
Compound_661	Oc1c(O)c(Cl)c(c(c1O)I)S(=O)(=O)O	0.755	0.455	0.848	0.473	0.665	0.649	0.876	0.645	0.393	0.905	0.285
Compound_662	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_663	N#Cc1cc(I)c(c(c1)I)O	0.929	0.167	0.585	0.685	0.832	0.261	0.899	0.952	0.429	0.911	0.918
Compound_664	BrC(C(=O)C(Br)Br)Br	0.884	0.103	0.44	0.594	0.571	0.467	0.976	0.999	0.893	1.0	0.977
Compound_665	O=Cc1cc(I)c(c(c1)I)O	0.879	0.194	0.301	0.617	0.708	0.342	0.973	0.91	0.396	0.917	0.597
Compound_666	O=Cc1cc(I)cc(c1O)I	0.816	0.226	0.252	0.639	0.469	0.172	0.89	0.901	0.389	0.921	0.561
Compound_667	O=Cc1c(I)cc(cc1I)O	0.86	0.194	0.167	0.649	0.721	0.344	0.941	0.59	0.46	0.917	0.597
Compound_668	Oc1cc(I)c(c(c1C)C)I	0.829	0.136	0.869	0.682	0.717	0.049	0.827	0.994	0.469	0.961	0.489
Compound_669	CCCCCCCCCc1cc(Br)c(c(c1)Br)O	0.952	0.241	0.364	0.675	0.673	0.817	0.714	0.946	0.625	0.999	0.948
Compound_670	COc1ccc(cc1)C(=O)C(C(=O)c1ccc(cc1)C(C)(C)C)(Cl)Cl	0.868	0.616	0.935	0.687	0.968	1.0	0.434	0.383	0.524	0.058	0.972
Compound_671	BrC(C(Br)(Br)Cl)Br	0.935	0.079	0.433	0.583	0.158	0.432	0.96	0.883	0.862	1.0	0.947
Compound_672	Brc1[nH]c(c(c1Br)Br)Br	0.753	0.365	0.52	0.545	0.521	0.645	0.851	0.842	0.992	0.959	0.711
Compound_673	Ic1cc(I)c(c(c1)C(=O)O)O	0.549	0.227	0.066	0.367	0.534	0.071	0.131	0.593	0.268	0.709	0.211
Compound_674	OC(=O)c1cc(I)c(c(c1)I)O	0.72	0.178	0.134	0.449	0.837	0.186	0.948	0.814	0.338	0.741	0.3
Compound_675	Ic1cc(I)c(c(c1)N(=O)=O)O	0.906	0.151	0.84	0.616	0.806	0.457	0.995	0.995	0.441	0.979	0.863
Compound_676	O=N(=O)c1cc(I)c(c(c1)I)O	0.938	0.134	0.693	0.646	0.846	0.214	0.993	0.994	0.394	0.983	0.885
Compound_677	IC(I)I	0.902	0.231	0.324	0.575	0.708	0.294	0.686	0.983	0.739	1.0	0.758
Compound_678	Clc1cc(Br)c2c(c1)c1cc(Cl)cc(c1[nH]2)Br	0.932	0.621	0.863	0.555	0.678	0.656	0.997	0.757	0.989	0.989	0.858
Compound_679	Brc1ccc2c(c1)c1cc(Br)cc(c1[nH]2)Br	0.884	0.63	0.95	0.532	0.658	0.652	0.993	0.496	0.627	0.989	0.804
Compound_680	Oc1c(O)c(Br)c(c(c1O)I)S(=O)(=O)O	0.868	0.463	0.848	0.473	0.696	0.652	0.825	0.645	0.389	0.963	0.343
Compound_681	BrC1=C(Br)C(=O)C(=C(C1=O)Br)Br	0.956	0.373	0.44	0.648	0.723	0.519	0.958	1.0	0.934	0.997	0.91
Compound_682	BrC(C(=O)C(Br)(Br)Br)Br	0.89	0.086	0.174	0.58	0.571	0.467	0.976	0.974	0.904	1.0	0.981
Compound_683	Oc1c(O)c(I)c(c(c1O)I)S(=O)(=O)O	0.777	0.46	0.848	0.473	0.673	0.617	0.57	0.645	0.367	0.921	0.267
Compound_684	Ic1cc(I)c(c(c1)I)O	0.904	0.165	0.452	0.507	0.554	0.082	0.975	0.969	0.412	0.991	0.701
Compound_685	Brc1cc(Br)c2c(c1)c1cc(Br)cc(c1[nH]2)Br	0.887	0.63	0.863	0.555	0.657	0.652	0.994	0.757	0.757	0.989	0.804
Compound_686	O=C(C(Cc1cc(I)c(c(c1)I)O)N)NC(C(=O)O)C	0.036	0.297	0.012	0.366	0.337	0.092	0.001	0.011	0.328	0.037	0.031
Compound_687	CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC3(OC1(C)C(O)C3C)C(C)C2)C)OC1OC(C)CC(C1O)N(C)C	0.112	0.729	0.0	0.146	0.438	0.523	0.007	0.079	0.138	0.106	0.434
Compound_688	Oc1cc(Br)c(c(c1)Br)Oc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)O)(C)C	0.959	0.559	0.866	0.725	0.646	0.651	0.98	0.634	0.463	0.966	0.991
Compound_689	O=CC(Cl)(Cl)Cl	0.933	0.079	0.407	0.642	0.173	0.957	0.961	0.992	0.184	0.999	0.987