Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(=C)c1cccc(c1)C(=C)C	0.936	0.546	0.726	0.559	0.043	0.068	0.977	0.908	0.912	0.996	0.725
Compound_2	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.578	0.331	0.801	0.561	0.021	0.437	0.639	0.176	0.75	0.44	0.512
Compound_3	CC(c1cc(cc(c1)C(C)C)C(C)C)C	0.602	0.106	0.657	0.539	0.04	0.037	0.56	0.618	0.802	0.996	0.207
Compound_4	Cc1cc(C)cc(c1)C	0.813	0.119	0.897	0.556	0.02	0.03	0.978	0.804	0.883	0.998	0.16
Compound_5	C=CCOc1c(Br)cc(cc1Br)Br	0.906	0.417	0.934	0.721	0.668	0.714	0.998	0.973	0.323	0.997	0.791
Compound_6	Clc1ccc(c(c1)Cl)Cl	0.974	0.088	0.849	0.629	0.175	0.465	0.998	0.925	0.76	0.999	0.279
Compound_7	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.96	0.088	0.905	0.651	0.253	0.725	0.999	0.991	0.882	0.999	0.279
Compound_8	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.953	0.088	0.848	0.601	0.369	0.692	0.999	0.911	0.863	0.999	0.279
Compound_9	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl	0.756	0.721	0.468	0.66	0.631	0.911	0.847	0.503	0.431	0.991	0.373
Compound_10	O=S(=O)(c1ccccc1)c1ccccc1	0.767	0.61	0.533	0.588	0.358	0.577	0.983	0.187	0.763	0.991	0.259
Compound_11	Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	0.922	0.704	0.89	0.656	0.656	0.652	0.999	0.653	0.384	0.999	0.995
Compound_12	c1ccc(cc1)Oc1ccccc1	0.946	0.752	0.922	0.59	0.5	0.511	0.996	0.771	0.969	0.993	0.921
Compound_13	C(Oc1ccccc1)COc1ccccc1	0.381	0.592	0.833	0.68	0.654	0.531	0.996	0.78	0.848	0.89	0.823
Compound_14	BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br	0.828	0.483	0.975	0.785	0.681	0.697	0.98	0.976	0.383	0.991	0.959
Compound_15	C=C(c1ccccc1)CC(c1ccccc1)(C)C	0.867	0.501	0.23	0.553	0.454	0.553	0.991	0.593	0.872	0.991	0.89
Compound_16	CC(C(c1ccccc1)(C)C)(c1ccccc1)C	0.744	0.47	0.968	0.58	0.454	0.553	0.991	0.136	0.675	0.997	0.828
Compound_17	CCCCCCCCCCOc1ccc(cc1C(CC)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	0.667	0.627	0.382	0.637	0.982	0.997	0.414	0.955	0.628	0.999	0.995
Compound_18	C=Cc1ccc(cc1)C(C)(C)C	0.932	0.151	0.685	0.601	0.125	0.134	0.831	0.822	0.862	0.997	0.383
Compound_19	CO[Si](c1ccccc1)(OC)OC	0.851	0.224	0.743	0.548	0.087	0.25	1.0	0.096	0.9	0.921	0.45
Compound_20	CCO[Si](c1ccccc1)(OCC)OCC	0.793	0.275	0.908	0.549	0.122	0.269	0.999	0.085	0.492	0.987	0.49
Compound_21	C[Si](c1ccccc1)(Cl)Cl	0.942	0.382	0.759	0.682	0.094	0.416	0.996	0.965	0.951	0.994	0.516
Compound_22	ClCc1ccccc1	0.908	0.157	0.828	0.676	0.115	0.197	0.999	0.968	0.991	0.996	0.63
Compound_23	COC(Cc1ccccc1)OC	0.391	0.107	0.768	0.553	0.02	0.23	0.999	0.372	0.658	0.535	0.136
Compound_24	c1ccccc1	0.967	0.164	0.9	0.549	0.035	0.021	0.999	0.719	0.972	0.998	0.524
Compound_25	c1ccc(cc1)Nc1ccccc1	0.964	0.714	0.939	0.62	0.566	0.553	0.998	0.976	0.952	0.998	0.929
Compound_26	CNc1ccccc1	0.908	0.217	0.971	0.498	0.058	0.048	0.211	0.967	0.846	0.973	0.343
Compound_27	CC(c1cccc(c1N=C=Nc1c(cccc1C(C)C)C(C)C)C(C)C)C	0.483	0.639	0.851	0.674	0.438	0.823	0.954	0.117	0.72	0.969	0.616
Compound_28	CN(c1ccccc1)C	0.965	0.411	0.911	0.519	0.145	0.195	0.979	0.885	0.457	0.956	0.414
Compound_29	Nc1ccc(cc1)N(=O)=O	0.977	0.155	0.972	0.604	0.058	0.593	0.981	0.992	0.69	0.981	0.702
Compound_30	Cc1ccc(cc1)N	0.702	0.196	0.947	0.543	0.08	0.402	0.996	0.869	0.878	0.976	0.305
Compound_31	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_32	Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N	0.497	0.205	0.692	0.579	0.413	0.412	0.421	0.141	0.437	0.221	0.285
Compound_33	Nc1ccc(cc1)Oc1ccc(cc1)N	0.801	0.79	0.952	0.695	0.737	0.969	0.99	0.983	0.943	0.971	0.99
Compound_34	CCC(Nc1ccc(cc1)Cc1ccc(cc1)NC(CC)C)C	0.739	0.457	0.926	0.375	0.422	0.908	0.307	0.862	0.713	0.967	0.813
Compound_35	CCc1cc(Cc2cc(CC)c(c(c2Cl)CC)N)c(c(c1N)CC)Cl	0.67	0.495	0.845	0.412	0.902	0.882	0.989	0.338	0.78	0.99	0.659
Compound_36	Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N	0.689	0.697	0.971	0.597	0.695	0.786	0.999	0.965	0.925	0.993	0.931
Compound_37	CCc1cc(Cc2cc(CC)c(c(c2)CC)N)cc(c1N)CC	0.638	0.516	0.857	0.404	0.396	0.837	0.992	0.401	0.953	0.981	0.852
Compound_38	Nc1ccc(cc1)Cc1ccc(cc1)N	0.772	0.728	0.927	0.517	0.468	0.949	0.999	0.849	0.862	0.988	0.966
Compound_39	Clc1cc(ccc1N)C1(c2ccc(c(c2)Cl)N)c2ccccc2c2c1cccc2	0.876	0.792	0.987	0.775	0.972	0.925	0.987	0.94	0.757	0.989	0.988
Compound_40	CC(c1ccccc1)(c1ccc(cc1)Nc1ccc(cc1)C(c1ccccc1)(C)C)C	0.957	0.563	0.912	0.565	0.986	0.978	0.987	0.937	0.837	0.911	0.908
Compound_41	CC(c1ccc(cc1)Nc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.937	0.572	0.757	0.504	0.802	0.98	0.985	0.624	0.801	0.894	0.831
Compound_42	Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N	0.585	0.205	0.737	0.59	0.316	0.617	0.644	0.256	0.64	0.221	0.285
Compound_43	COc1ccc(cc1N)C	0.542	0.231	0.99	0.595	0.064	0.098	0.971	0.142	0.869	0.886	0.704
Compound_44	CCc1cccc(c1N)C	0.465	0.263	0.92	0.45	0.079	0.098	0.973	0.716	0.822	0.783	0.284
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	COc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(=O)NC1CC1	0.083	0.514	0.046	0.165	0.195	0.534	0.593	0.032	0.432	0.09	0.174
Compound_47	CCN(C(=O)c1cccc(c1)C)CC	0.158	0.394	0.366	0.536	0.0	0.322	0.014	0.12	0.422	0.508	0.063
Compound_48	CCOc1cc2N=c3c(Oc2cc1NC(=O)c1ccccc1)c(NC(=O)C)c1=Nc2c(Oc1c3NC(=O)C)cc(c(c2)OCC)NC(=O)c1ccccc1	0.707	0.737	0.799	0.599	0.625	0.664	0.99	0.25	0.437	0.826	0.882
Compound_49	O=C(c1ccccc1)Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1	0.882	0.548	0.97	0.692	0.873	0.898	0.958	0.583	0.734	0.975	0.774
Compound_50	CC(=O)C(C(=O)Nc1cc(Cl)c(cc1C)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cccc(c1C)Cl)N=Nc1cc(ccc1Cl)C(=O)Nc1cccc(c1C)Cl	0.585	0.666	0.992	0.772	0.883	0.753	0.913	0.911	0.448	0.997	0.683
Compound_51	O=C(C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C)Nc1cc(C)c(cc1C)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C	0.588	0.666	0.993	0.77	0.872	0.784	0.887	0.814	0.467	0.997	0.683
Compound_52	CCCCCCCCC(COc1ccccc1C(=O)N)CCCCCC	0.906	0.684	0.436	0.376	0.069	0.711	0.971	0.026	0.786	0.558	0.348
Compound_53	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_54	COc1cc(C=O)ccc1O	0.681	0.134	0.291	0.674	0.472	0.221	0.506	0.022	0.543	0.54	0.341
Compound_55	CCOc1cc(C=O)ccc1O	0.411	0.156	0.37	0.671	0.526	0.171	0.384	0.727	0.224	0.646	0.423
Compound_56	O=Cc1ccc(c(c1)C)C	0.826	0.078	0.589	0.538	0.029	0.206	0.988	0.117	0.858	0.963	0.577
Compound_57	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_58	CCOC(=O)C(NC1CCC(CC1C)CC1CCC(C(C1)C)NC(C(=O)OCC)CC(=O)OCC)CC(=O)OCC	0.138	0.41	0.181	0.458	0.327	0.137	0.246	0.113	0.391	0.694	0.221
Compound_59	CCOC(=O)CC(C(=O)OCC)NCCCC(CNC(C(=O)OCC)CC(=O)OCC)C	0.049	0.108	0.049	0.383	0.128	0.025	0.07	0.013	0.374	0.158	0.174
Compound_60	Cc1ccc(cc1)C	0.884	0.144	0.798	0.553	0.039	0.056	0.997	0.761	0.865	0.994	0.14
Compound_61	c1ccc2c(c1)cc1c(c2)cccc1	0.988	0.649	0.974	0.679	0.566	0.646	0.999	0.968	0.966	1.0	0.952
Compound_62	COc1cc2c3ccccc3C(=O)c3c2c2c1c1c(OC)cc4c5c1c(c2cc3)ccc5C(=O)c1c4cccc1	0.892	0.782	0.992	0.808	0.962	0.987	0.779	0.974	0.444	0.301	0.974
Compound_63	O=C1c2ccccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c2c(C1=O)cccc2	0.973	0.787	0.988	0.775	0.954	0.969	0.968	0.978	0.483	0.843	0.993
Compound_64	O=c1c2ccc3c4c2c(c(=O)n1C)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)C	0.658	0.728	0.852	0.556	0.422	0.867	0.854	0.186	0.449	0.046	0.612
Compound_65	O=c1c2ccc3c4c2c(c(=O)n1c1ccc(cc1)N=Nc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)N=Nc1ccccc1	0.983	0.596	0.991	0.572	0.847	0.907	0.886	0.85	0.445	0.636	0.708
Compound_66	Cc1cc(cc(c1)C)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cc(C)cc(c1)C	0.779	0.754	0.972	0.5	0.816	0.884	0.814	0.771	0.438	0.728	0.829
Compound_67	O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c(=O)[nH]c1=O	0.787	0.624	0.869	0.389	0.558	0.91	0.899	0.543	0.454	0.384	0.971
Compound_68	CCCCCCCCCCCC(=O)NCCO	0.058	0.087	0.018	0.253	0.015	0.067	0.001	0.052	0.312	0.034	0.056
Compound_69	CCCCC	0.909	0.063	0.309	0.578	0.039	0.01	0.992	0.989	0.933	0.998	0.799
Compound_70	CCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_71	CCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_72	COC(=O)CN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1C#N)N(=O)=O)C(C(=O)OC)C	0.79	0.716	0.894	0.639	0.695	0.622	0.46	0.841	0.427	0.921	0.75
Compound_73	ClC(=O)C(Cl)Cl	0.939	0.085	0.407	0.53	0.32	0.098	0.972	1.0	0.771	0.999	0.983
Compound_74	N#CCN(CC#N)CC#N	0.492	0.218	0.043	0.16	0.04	0.031	0.004	0.901	0.801	0.871	0.916
Compound_75	N#CCN(CC#N)CCN(CC#N)CC#N	0.18	0.2	0.046	0.16	0.079	0.051	0.006	0.982	0.714	0.851	0.906
Compound_76	CC#N	0.928	0.268	0.269	0.499	0.059	0.041	0.619	0.931	0.933	0.994	0.857
Compound_77	CCCOC(=O)C	0.761	0.006	0.342	0.65	0.064	0.026	0.997	0.437	0.618	0.633	0.861
Compound_78	CC(=O)OCc1ccccc1	0.487	0.184	0.683	0.575	0.07	0.048	0.987	0.949	0.837	0.616	0.332
Compound_79	COC(=O)C	0.797	0.034	0.313	0.528	0.036	0.01	0.954	0.916	0.955	0.74	0.729
Compound_80	CCCCOC(=O)C	0.814	0.006	0.167	0.68	0.059	0.024	0.997	0.52	0.848	0.633	0.861
Compound_81	CC(=O)OCCc1ccccc1	0.488	0.12	0.59	0.649	0.079	0.055	0.998	0.546	0.959	0.193	0.401
Compound_82	CC(COC(=O)C)C	0.761	0.019	0.162	0.598	0.057	0.017	0.987	0.244	0.621	0.673	0.767
Compound_83	COCC(=O)O	0.43	0.031	0.047	0.199	0.032	0.044	0.78	0.524	0.203	0.06	0.299
Compound_84	CCCCC(COC(=O)CS)CC	0.803	0.048	0.039	0.641	0.175	0.242	0.994	0.103	0.824	0.979	0.86
Compound_85	SCC(=O)OCCOC(=O)CS	0.828	0.056	0.075	0.596	0.228	0.098	0.805	0.099	0.95	0.911	0.919
Compound_86	OC(=O)CS	0.351	0.115	0.026	0.201	0.127	0.069	0.499	0.708	0.687	0.008	0.579
Compound_87	CCCCOC(=O)CO	0.736	0.051	0.054	0.693	0.051	0.098	0.949	0.21	0.646	0.772	0.539
Compound_88	OCC(=O)O	0.422	0.048	0.026	0.201	0.048	0.073	0.554	0.708	0.171	0.024	0.336
Compound_89	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_90	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_91	O=C(C(F)(F)F)OC(=O)C(F)(F)F	0.862	0.036	0.706	0.66	0.346	0.028	0.728	0.994	0.423	0.575	0.961
Compound_92	OC(=O)C(F)(F)F	0.68	0.014	0.047	0.438	0.337	0.017	0.38	0.998	0.372	0.354	0.918
Compound_93	CCC(=O)OCC(=O)OC(C1CCCC(C1)(C)C)C	0.958	0.085	0.169	0.652	0.07	0.068	0.987	0.818	0.389	0.735	0.722
Compound_94	CC(OC(=O)C)C	0.785	0.069	0.282	0.515	0.064	0.019	0.992	0.684	0.96	0.942	0.78
Compound_95	CC(=O)OC(C)(C)C	0.763	0.036	0.058	0.57	0.057	0.012	0.718	0.952	0.908	0.931	0.779
Compound_96	CC(=O)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(=O)C	0.841	0.079	0.039	0.525	0.108	0.078	0.926	0.988	0.933	0.405	0.605
Compound_97	CC(=O)OC(=O)C	0.748	0.047	0.313	0.521	0.031	0.005	0.937	0.95	0.957	0.228	0.786
Compound_98	CCOC(=O)C	0.801	0.038	0.577	0.612	0.049	0.017	0.97	0.262	0.687	0.837	0.895
Compound_99	CC(=O)OC=C	0.803	0.064	0.365	0.537	0.092	0.01	0.991	0.982	0.931	0.998	0.834
Compound_100	CC(=O)O	0.474	0.042	0.047	0.184	0.054	0.006	0.606	0.637	0.673	0.215	0.468
Compound_101	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_102	CC(=O)N(C(=O)C)CCN(C(=O)C)C(=O)C	0.152	0.082	0.259	0.47	0.032	0.041	0.008	0.089	0.493	0.28	0.553
Compound_103	N#CC(=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2c1cccc2)C(=O)NC	0.393	0.703	0.837	0.354	0.385	0.195	0.015	0.655	0.389	0.009	0.745
Compound_104	CC=NO	0.581	0.24	0.598	0.489	0.044	0.061	0.074	0.504	0.586	0.975	0.804
Compound_105	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
Compound_106	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_107	CCCCCCCCC=CCCCCCCCC(=O)OC(C)C	0.97	0.015	0.445	0.628	0.426	0.081	0.999	0.93	0.687	1.0	0.906
Compound_108	CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC	0.37	0.075	0.055	0.36	0.08	0.223	0.142	0.655	0.363	0.477	0.278
Compound_109	CC(c1ccc2c(c1)c(=O)c1c(s2)cccc1)C	0.78	0.761	0.905	0.64	0.633	0.783	0.902	0.973	0.609	0.966	0.884
Compound_110	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.699	0.813	0.986	0.75	0.984	0.903	0.998	0.994	0.695	0.691	0.982
Compound_111	O=C1c2cccc(c2C(=O)c2c1cccc2Sc1ccccc1)Sc1ccccc1	0.464	0.622	0.913	0.681	0.916	0.888	0.98	0.933	0.75	0.869	0.99
Compound_112	Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.94	0.811	0.947	0.796	0.85	0.918	0.95	0.992	0.665	0.212	0.991
Compound_113	Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(c2c1C(=O)c1ccccc1C2=O)N	0.613	0.705	0.972	0.699	0.867	0.555	0.994	0.872	0.642	0.615	0.993
Compound_114	CCc1cccc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(C)cccc1CC)C	0.524	0.782	0.919	0.584	0.94	0.516	0.991	0.953	0.717	0.732	0.972
Compound_115	O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1c(C)cc(cc1C)C)Nc1c(C)cc(cc1C)C	0.56	0.825	0.977	0.688	0.953	0.613	0.998	0.917	0.777	0.887	0.995
Compound_116	O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2	0.765	0.432	0.039	0.587	0.939	0.218	0.908	0.823	0.469	0.995	0.87
Compound_117	CCCCC(COC(=O)C1CCC2C(C1)O2)CC	0.752	0.266	0.042	0.658	0.596	0.12	0.934	0.467	0.552	0.998	0.68
Compound_118	CO[Si](CCC1CCC2C(C1)O2)(OC)OC	0.951	0.328	0.052	0.504	0.492	0.206	0.994	0.687	0.612	0.978	0.716
Compound_119	CCO[Si](CCC1CCC2C(C1)O2)(OCC)OCC	0.97	0.262	0.173	0.501	0.492	0.206	0.994	0.599	0.341	0.998	0.68
Compound_120	C=CC(CCCC(OC(=O)C)(C)C)C	0.9	0.017	0.075	0.654	0.508	0.017	0.756	0.998	0.706	0.984	0.652
Compound_121	C=CC(CCCC(O)(C)C)C	0.895	0.125	0.064	0.589	0.342	0.016	0.78	0.946	0.315	0.436	0.514
Compound_122	CC(CC#N)CCC=C(C)C	0.968	0.114	0.194	0.606	0.475	0.036	0.778	0.952	0.715	0.67	0.925
Compound_123	CC(CCC=C(C)C)CCOC(=O)C	0.919	0.021	0.455	0.713	0.229	0.019	0.968	0.982	0.795	0.999	0.94
Compound_124	OCCC(CCC=C(C)C)C	0.875	0.145	0.187	0.535	0.093	0.027	0.28	0.369	0.138	0.247	0.846
Compound_125	CC(CCC(C#CC(CCC(C)C)(O)C)(O)C)C	0.754	0.16	0.426	0.532	0.154	0.929	0.981	0.354	0.233	0.153	0.446
Compound_126	O=C1OC(=O)c2c1cc(cc2)C(=O)O	0.602	0.105	0.668	0.37	0.148	0.167	0.952	0.326	0.592	0.025	0.413
Compound_127	O=CC(CCC=C(C)C)C	0.839	0.015	0.453	0.626	0.09	0.054	0.9	0.985	0.661	0.995	0.952
Compound_128	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_129	CC(CC(C#CC(CC(C)C)(O)C)(O)C)C	0.625	0.137	0.585	0.546	0.117	0.898	0.838	0.278	0.423	0.392	0.569
Compound_130	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)N)CC	0.461	0.556	0.493	0.495	0.569	0.645	0.394	0.723	0.216	0.137	0.232
Compound_131	O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2)c(=O)c1c(c5=O)cccc1	0.607	0.719	0.976	0.518	0.911	0.691	0.997	0.47	0.802	0.288	1.0
Compound_132	CCCCOCCOCCOCOCCOCCOCCCC	0.802	0.035	0.161	0.6	0.139	0.338	0.998	0.381	0.756	0.997	0.726
Compound_133	N#Cc1ccncc1	0.693	0.255	0.474	0.591	0.082	0.083	0.013	0.032	0.924	0.924	0.795
Compound_134	OC1CC(C)(C)NC(C1)(C)C	0.051	0.301	0.014	0.382	0.004	0.046	0.072	0.084	0.129	0.238	0.138
Compound_135	CC(C(C=CC1CC=C(C1(C)C)C)C)O	0.815	0.328	0.057	0.601	0.52	0.092	0.119	0.96	0.588	0.972	0.986
Compound_136	CCCCC(C(CC)N)O	0.067	0.094	0.138	0.374	0.018	0.05	0.002	0.077	0.257	0.339	0.093
Compound_137	CC(CC(CC(=O)CC(C)C)C)C	0.98	0.033	0.693	0.428	0.047	0.013	0.963	0.59	0.464	0.997	0.834
Compound_138	CC(CC(CC(CC(C)C)O)C)C	0.924	0.065	0.403	0.435	0.079	0.037	0.89	0.193	0.227	0.65	0.425
Compound_139	O1CCN(CC1)CCCNc1cccc2c1cccc2	0.194	0.512	0.83	0.125	0.194	0.234	0.033	0.379	0.471	0.266	0.332
Compound_140	OS(=O)(=O)CCN1CCOCC1	0.036	0.311	0.012	0.067	0.06	0.157	0.032	0.043	0.346	0.537	0.419
Compound_141	O=CN1CCOCC1	0.114	0.187	0.18	0.49	0.02	0.124	0.012	0.422	0.409	0.738	0.114
Compound_142	S=C(N1CCOCC1)SN1CCOCC1	0.321	0.306	0.138	0.53	0.046	0.493	0.042	0.463	0.581	0.783	0.457
Compound_143	O=c1ccoc(c1O)C	0.68	0.231	0.152	0.365	0.14	0.447	0.995	0.163	0.805	0.176	0.129
Compound_144	CCc1occc(=O)c1O	0.708	0.208	0.161	0.381	0.223	0.854	0.991	0.201	0.708	0.126	0.094
Compound_145	O=C1CCCC2=C1C(C)(C)C(C2(C)C)C	0.988	0.658	0.436	0.529	0.33	0.119	0.183	0.876	0.258	0.994	0.531
Compound_146	CC(CC(=O)CC(C)C)C	0.957	0.04	0.693	0.502	0.045	0.009	0.922	0.635	0.522	0.977	0.804
Compound_147	CCCC(=O)CCC	0.957	0.022	0.293	0.538	0.022	0.01	0.987	0.262	0.668	1.0	0.914
Compound_148	OC(CC(C)C)CC(C)C	0.861	0.073	0.301	0.486	0.058	0.031	0.813	0.158	0.26	0.512	0.454
Compound_149	O=c1oc(nc2c1cccc2)c1ccc(cc1)c1nc2ccccc2c(=O)o1	0.458	0.768	0.994	0.905	0.538	0.692	0.97	0.802	0.89	0.338	0.757
Compound_150	O=C1OC(=O)C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl	0.787	0.468	0.636	0.677	0.84	0.41	0.996	0.992	0.398	0.948	0.811
Compound_151	C1=CC2C(C1)C1C=CC2C1	0.982	0.326	0.267	0.462	0.745	0.098	0.906	0.183	0.433	0.999	0.563
Compound_152	C1=CC2C(C1)C1CCC2C1	0.999	0.328	0.187	0.485	0.719	0.095	0.834	0.221	0.703	0.999	0.523
Compound_153	CC(=O)OC1CC2CC1C1C2C=CC1	0.968	0.47	0.048	0.533	0.874	0.139	0.303	0.828	0.639	1.0	0.539
Compound_154	OC(=O)c1cccnc1	0.053	0.191	0.255	0.335	0.018	0.03	0.036	0.065	0.058	0.011	0.116
Compound_155	N#Cc1c(C)c(N=Nc2cccc(c2)OS(=O)(=O)c2ccccc2)c(n(c1=O)C)O	0.54	0.554	0.5	0.574	0.905	0.582	0.215	0.174	0.386	0.027	0.438
Compound_156	N#Cc1cccnc1	0.578	0.254	0.575	0.563	0.078	0.082	0.013	0.013	0.809	0.917	0.689
Compound_157	O=C(C(C)(C)C)CCc1ccc(cc1)Cl	0.929	0.176	0.56	0.611	0.363	0.402	0.919	0.329	0.277	0.893	0.522
Compound_158	CCC1(CO)COC1	0.715	0.141	0.071	0.38	0.085	0.128	0.843	0.056	0.364	0.632	0.707
Compound_159	CCC(CCCC(C)C)(O)C	0.902	0.095	0.318	0.513	0.108	0.03	0.849	0.35	0.114	0.977	0.722
Compound_160	CCOC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1	0.535	0.667	0.24	0.615	0.337	0.582	0.79	0.142	0.347	0.024	0.936
Compound_161	CCOC(=O)CN(C(=O)Oc1n2nc([nH]c2c(c1C#N)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)c1ccc(cc1)C(C)(C)C)CC(=O)OCC	0.709	0.786	0.734	0.618	0.613	0.665	0.968	0.946	0.382	0.969	0.797
Compound_162	CC1=NN(C(=O)C1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.711	0.739	0.895	0.663	0.291	0.72	0.8	0.907	0.369	0.837	0.408
Compound_163	Cc1ccc(cc1)N1N=C(C(C1=O)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC1C(=NN(C1=O)c1ccc(cc1)C)C)C	0.636	0.642	0.994	0.74	0.719	0.706	0.988	0.729	0.414	0.971	0.455
Compound_164	CC1=NN(C(=O)C1N=Nc1ccccc1)c1ccccc1	0.515	0.629	0.987	0.712	0.205	0.537	0.181	0.639	0.4	0.469	0.462
Compound_165	O=C1c2ccccc2NC1=C1Nc2c(C1=O)cccc2	0.32	0.686	0.874	0.522	0.674	0.427	0.987	0.286	0.809	0.286	0.994
Compound_166	CC(C#CC(O)C)O	0.833	0.473	0.068	0.431	0.059	0.755	0.947	0.02	0.491	0.288	0.653
Compound_167	O=CC1CCC(=CC1)CCCC(O)(C)C	0.933	0.195	0.146	0.598	0.236	0.317	0.3	0.946	0.299	0.779	0.541
Compound_168	C#CC(O)(C)C	0.756	0.148	0.132	0.449	0.048	0.098	0.722	0.15	0.548	0.639	0.687
Compound_169	CC(=O)C=CC1=C(C)CCCC1(C)C	1.001	0.181	0.804	0.716	0.518	0.647	0.824	0.889	0.986	0.999	0.803
Compound_170	CC1=CCCC(C1C=C(C(=O)C)C)(C)C	0.97	0.202	0.815	0.616	0.256	0.049	0.173	0.872	0.907	0.998	0.759
Compound_171	CN(CCOCCN(C)C)CCOCCN(C)C	0.08	0.116	0.004	0.108	0.04	0.012	0.012	0.026	0.328	0.052	0.358
Compound_172	COCCOCCOCCOCCO	0.628	0.114	0.107	0.466	0.122	0.214	0.252	0.363	0.283	0.497	0.575
Compound_173	C=COCCOCCOCCOC=C	0.679	0.161	0.211	0.462	0.373	0.345	0.956	0.551	0.776	0.998	0.887
Compound_174	NCCNCCNCCNCCNCCN	0.027	0.03	0.019	0.346	0.029	0.006	0.0	0.014	0.05	0.134	0.258
Compound_175	CCO[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC	0.882	0.056	0.506	0.531	0.273	0.201	0.999	0.614	0.389	0.997	0.629
Compound_176	CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F	0.354	0.524	0.909	0.563	0.771	0.389	0.608	0.578	0.95	0.006	0.25
Compound_177	Cn1sc(cc1=O)Cl	0.54	0.813	0.163	0.519	0.093	0.1	0.924	0.045	0.607	0.993	0.806
Compound_178	Cn1sccc1=O	0.434	0.813	0.166	0.408	0.064	0.12	0.577	0.009	0.623	0.993	0.711
Compound_179	CC1OC(=C(C1=O)O)C	0.635	0.264	0.076	0.434	0.013	0.059	0.783	0.136	0.433	0.935	0.344
Compound_180	COCCCNc1nc(NCCCOC)c(c(c1N=Nc1sc(c(c1C#N)C)C(=O)OC)C)C#N	0.53	0.674	0.889	0.558	0.355	0.642	0.012	0.542	0.511	0.046	0.562
Compound_181	S=C1SCCN1C	0.073	0.404	0.12	0.531	0.031	0.351	0.242	0.719	0.619	0.957	0.506
Compound_182	CCCCCCCCN1CCCC1=O	0.864	0.423	0.294	0.524	0.021	0.167	0.193	0.092	0.723	0.944	0.546
Compound_183	CCN1CCCC1=O	0.186	0.403	0.294	0.486	0.007	0.023	0.042	0.059	0.296	0.933	0.506
Compound_184	CCCCCCCCCCCCN1CCCC1=O	0.882	0.423	0.294	0.524	0.031	0.261	0.995	0.092	0.723	0.944	0.546
Compound_185	CCCCN1CCCC1=O	0.254	0.419	0.294	0.524	0.013	0.034	0.088	0.092	0.499	0.952	0.432
Compound_186	OCCN1CCCC1=O	0.038	0.228	0.176	0.505	0.022	0.064	0.017	0.056	0.087	0.017	0.075
Compound_187	O=C1CCCN1	0.022	0.299	0.04	0.237	0.005	0.006	0.004	0.12	0.503	0.018	0.105
Compound_188	OCC#C	0.82	0.2	0.092	0.399	0.058	0.144	0.885	0.705	0.482	0.537	0.764
Compound_189	CCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_190	CCCCCCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_191	CCCCCCOC(=O)C=C	0.983	0.009	0.234	0.807	0.754	0.544	0.999	0.999	0.915	1.0	0.94
Compound_192	CCCCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_193	CCOC(=O)C=C	0.977	0.047	0.791	0.769	0.629	0.31	1.0	0.998	0.793	0.995	0.918
Compound_194	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_195	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_196	CCCCOC(=O)C=C	0.981	0.017	0.216	0.804	0.595	0.287	1.0	0.998	0.899	0.985	0.884
Compound_197	OCCCCOC(=O)C=C	0.948	0.484	0.074	0.736	0.639	0.716	0.998	0.978	0.373	0.839	0.515
Compound_198	COC(=O)C=Cc1ccccc1	0.977	0.231	0.802	0.757	0.151	0.261	0.996	0.949	0.578	0.963	0.262
Compound_199	CCOC(=O)C=Cc1ccccc1	0.973	0.228	0.93	0.816	0.217	0.425	0.997	0.937	0.414	0.975	0.598
Compound_200	C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.002	0.07	0.573	0.813	0.944	0.571	1.0	0.998	0.382	0.974	0.937
Compound_201	CCCCC(COC(=O)C=Cc1ccc(cc1)OC)CC	0.97	0.35	0.272	0.835	0.586	0.876	0.952	0.107	0.854	0.998	0.736
Compound_202	C=CC(=O)OCCOc1ccccc1	0.734	0.207	0.905	0.811	0.527	0.143	0.952	0.972	0.979	0.939	0.173
Compound_203	C=CC(=O)OCC(C)C	0.973	0.021	0.349	0.763	0.58	0.221	0.998	0.998	0.697	0.988	0.813
Compound_204	CC(CC)COC(=O)C=C	0.981	0.022	0.125	0.736	0.687	0.283	0.999	0.997	0.931	0.995	0.882
Compound_205	CCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_206	O=C(C(=C)C)OCc1ccccc1	0.759	0.41	0.525	0.606	0.089	0.083	0.994	0.99	0.877	0.983	0.793
Compound_207	CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_208	CCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_209	CCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.566	0.095	1.0	0.967	0.933	1.0	0.973
Compound_210	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_211	O=C(C(=C)C)OC1CCCCC1	0.968	0.415	0.047	0.538	0.435	0.076	0.925	0.76	0.853	1.0	0.582
Compound_212	CC1CC(OC(=O)C(=C)C)CC(C1)(C)C	0.979	0.35	0.039	0.433	0.631	0.087	0.723	0.885	0.847	0.999	0.632
Compound_213	O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.995	0.076	0.37	0.8	0.839	0.117	0.999	0.973	0.521	0.99	0.953
Compound_214	CO[Si](CCCOC(=O)C(=C)C)(OC)OC	0.943	0.075	0.106	0.689	0.476	0.142	0.991	0.977	0.934	0.992	0.803
Compound_215	O=C(C(=C)C)OCCOc1ccccc1	0.607	0.32	0.663	0.748	0.316	0.057	0.631	0.897	0.904	0.983	0.292
Compound_216	CC(=C)C(=O)OCC1CO1	0.984	0.203	0.218	0.722	0.637	0.067	0.702	0.924	0.95	0.998	0.884
Compound_217	CCCCC(COC(=O)C(=C)C)CC	0.979	0.084	0.065	0.697	0.395	0.049	0.991	0.79	0.904	1.0	0.972
Compound_218	CC(=C)C(=O)OCCNC(C)(C)C	0.051	0.127	0.005	0.403	0.14	0.006	0.001	0.017	0.381	0.14	0.597
Compound_219	CC(=C)C(=O)OCC(CO)O	0.947	0.25	0.02	0.594	0.316	0.081	0.21	0.11	0.476	0.94	0.495
Compound_220	CN(CCOC(=O)C(=C)C)C	0.167	0.069	0.002	0.164	0.246	0.011	0.038	0.196	0.553	0.096	0.573
Compound_221	CCN(CCOC(=O)C(=C)C)CC	0.121	0.149	0.029	0.157	0.285	0.011	0.017	0.358	0.383	0.65	0.727
Compound_222	CC(=C)C(=O)OCCN1COCC1	0.121	0.416	0.07	0.167	0.222	0.02	0.084	0.392	0.702	0.926	0.664
Compound_223	CCCCOCCOCCOC(=O)C(=C)C	0.979	0.155	0.077	0.747	0.547	0.102	0.992	0.884	0.844	1.0	0.92
Compound_224	CC(=C)C(=O)OC(C)(C)C	0.928	0.067	0.064	0.579	0.401	0.034	0.881	0.991	0.891	0.999	0.956
Compound_225	O=C(C(=C)C)OC(=O)C(=C)C	0.923	0.128	0.226	0.559	0.373	0.026	0.994	0.99	0.935	0.989	0.969
Compound_226	CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C	0.956	0.064	0.098	0.569	0.583	0.098	0.996	0.928	0.892	0.996	0.98
Compound_227	O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C	0.969	0.156	0.162	0.672	0.582	0.114	0.991	0.723	0.908	0.999	0.951
Compound_228	O=C(C(=C)C)OCC1CC2CC1C1C2C(CC1)COC(=O)C(=C)C	0.993	0.463	0.02	0.57	0.8	0.829	0.798	0.411	0.676	0.999	0.934
Compound_229	CC(OC(=O)C(=C)C)CCOC(=O)C(=C)C	0.965	0.047	0.102	0.685	0.37	0.037	0.986	0.525	0.862	0.959	0.946
Compound_230	O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C	0.968	0.147	0.12	0.715	0.394	0.09	0.985	0.963	0.883	1.0	0.973
Compound_231	O=C(C(=C)C)OCCCCOC(=O)C(=C)C	0.975	0.127	0.11	0.688	0.397	0.074	0.992	0.924	0.916	0.999	0.968
Compound_232	O=C(C(=C)C)OCCCCCCCCCCOC(=O)C(=C)C	0.993	0.147	0.12	0.715	0.568	0.116	0.999	0.963	0.886	1.0	0.973
Compound_233	CC(=C)C(=O)OCC1CCCO1	0.978	0.277	0.038	0.698	0.573	0.059	0.993	0.926	0.888	0.999	0.886
Compound_234	CC(=C)C(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.992	0.754	0.017	0.468	0.848	0.151	0.079	0.799	0.801	1.0	0.757
Compound_235	CC(=C)C(=O)O	0.766	0.121	0.063	0.19	0.203	0.002	0.947	0.255	0.65	0.913	0.924
Compound_236	COCCOC(=O)C=C	0.988	0.121	0.627	0.745	0.728	0.487	1.0	0.999	0.935	0.983	0.716
Compound_237	C=CC(=O)OCC(COc1ccccc1)O	0.505	0.262	0.145	0.664	0.407	0.059	0.044	0.827	0.801	0.895	0.077
Compound_238	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_239	CCCCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC	0.952	0.671	0.071	0.635	0.909	0.575	0.995	0.918	0.594	0.992	0.943
Compound_240	CCOC(=O)C(=C)C#N	0.977	0.223	0.498	0.649	0.613	0.067	0.995	0.981	0.564	0.92	0.973
Compound_241	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.388	0.254	0.498	0.859	0.806	0.281	0.984	0.996	0.366	0.942	0.678
Compound_242	C=CC(=O)Oc1c(cc(cc1C(CC)(C)C)C(CC)(C)C)C(c1cc(cc(c1O)C(CC)(C)C)C(CC)(C)C)C	0.624	0.548	0.115	0.585	0.983	0.982	0.642	0.981	0.856	0.977	0.232
Compound_243	CCCCCCCCCCCCCCCCCCNC(=O)OCCOC(=O)C=C	0.549	0.196	0.362	0.559	0.627	0.961	0.754	0.994	0.694	0.738	0.478
Compound_244	CCCCNC(=O)OCCOC(=O)C=C	0.357	0.176	0.338	0.537	0.533	0.691	0.036	0.991	0.564	0.689	0.443
Compound_245	C=CC(=O)OCCN(C)C	0.268	0.087	0.016	0.278	0.447	0.06	0.082	0.982	0.477	0.12	0.348
Compound_246	CCOCCOCCOC(=O)C=C	0.979	0.108	0.719	0.771	0.873	0.731	0.999	0.994	0.682	1.0	0.909
Compound_247	C=CC(=O)OC(C)(C)C	0.959	0.034	0.195	0.697	0.564	0.162	0.913	1.0	0.936	0.999	0.821
Compound_248	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC	0.974	0.08	0.197	0.65	0.776	0.499	0.997	0.998	0.919	0.996	0.949
Compound_249	C=CC(=O)OCC(COCCCCOCC(COC(=O)C=C)O)O	0.978	0.193	0.052	0.726	0.896	0.95	0.955	0.992	0.655	0.954	0.712
Compound_250	C=CC(=O)OCC1CC2CC1C1C2C(CC1)COC(=O)C=C	1.0	0.358	0.056	0.649	0.908	0.898	0.762	0.985	0.695	0.999	0.918
Compound_251	C=CC(=O)OCC(OCC(OCC(OC(=O)C=C)C)C)C	0.976	0.07	0.521	0.759	0.867	0.643	0.998	0.992	0.95	0.998	0.878
Compound_252	C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(c1=O)CCOC(=O)C=C	0.947	0.33	0.493	0.681	0.711	0.672	0.98	0.998	0.609	0.361	0.658
Compound_253	C=CC(=O)OCCC(CCOC(=O)C=C)C	0.979	0.083	0.216	0.732	0.83	0.248	0.996	0.987	0.893	1.0	0.923
Compound_254	C=CC(=O)OCCCCCCOC(=O)C=C	0.982	0.151	0.239	0.768	0.812	0.839	0.998	0.999	0.923	1.0	0.968
Compound_255	C=CC(=O)OCCCCOC(=O)C=C	0.99	0.163	0.22	0.764	0.764	0.828	1.0	0.999	0.954	0.999	0.96
Compound_256	C=CC(=O)OCCCCCCCCCCOC(=O)C=C	1.0	0.151	0.239	0.768	0.896	0.857	0.999	0.999	0.929	1.0	0.968
Compound_257	C=CC(=O)OCC1CCCO1	0.983	0.214	0.083	0.774	0.895	0.706	1.0	0.998	0.921	0.999	0.836
Compound_258	CCC1(COC(=O)C=C)COCOC1	0.93	0.207	0.197	0.566	0.638	0.48	0.996	0.998	0.923	0.992	0.775
Compound_259	C=CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.999	0.674	0.068	0.574	0.942	0.361	0.096	0.997	0.832	1.0	0.439
Compound_260	OC(=O)C=C	0.745	0.045	0.047	0.195	0.647	0.098	0.993	0.787	0.799	0.617	0.811
Compound_261	C=CC#N	0.961	0.245	0.456	0.624	0.472	0.073	0.991	0.997	0.924	0.997	0.884
Compound_262	CN(CCCNC(=O)C(=C)C)C	0.078	0.159	0.0	0.092	0.016	0.003	0.001	0.122	0.543	0.04	0.398
Compound_263	C=CC(=O)NCNC(=O)C=C	0.425	0.056	0.313	0.559	0.206	0.04	0.002	0.997	0.535	0.344	0.723
Compound_264	C=CC(=O)N(C)C	0.421	0.069	0.816	0.639	0.095	0.029	0.277	0.97	0.667	0.976	0.526
Compound_265	CCCCOCNC(=O)C=C	0.121	0.213	0.117	0.518	0.202	0.107	0.083	0.982	0.667	0.812	0.559
Compound_266	C=CC(=O)NC(C)(C)C	0.317	0.066	0.308	0.523	0.037	0.026	0.444	0.992	0.28	0.961	0.638
Compound_267	C=CC(=O)NC(CC(=O)C)(C)C	0.296	0.042	0.078	0.434	0.049	0.061	0.081	0.903	0.413	0.913	0.462
Compound_268	C=CC(=O)NC(CC(C)(C)C)(C)C	0.282	0.027	0.069	0.499	0.09	0.122	0.017	0.982	0.438	0.895	0.406
Compound_269	CC(=C)C(=O)N	0.396	0.177	0.04	0.299	0.02	0.0	0.729	0.128	0.654	0.929	0.835
Compound_270	NC(=O)C=C	0.436	0.082	0.066	0.395	0.125	0.032	0.917	0.897	0.754	0.952	0.688
Compound_271	O=CC(=Cc1ccccc1)C	0.935	0.501	0.717	0.588	0.049	0.302	0.996	0.965	0.914	0.999	0.86
Compound_272	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_273	CC(=O)OCC=Cc1ccccc1	0.924	0.246	0.861	0.744	0.15	0.188	0.994	0.934	0.957	0.967	0.466
Compound_274	OCC=Cc1ccccc1	0.801	0.134	0.355	0.646	0.073	0.302	0.975	0.739	0.683	0.242	0.577
Compound_275	OCC=C	0.782	0.104	0.183	0.572	0.296	0.072	0.962	0.981	0.123	0.627	0.888
Compound_276	C=CCNCC=C	0.126	0.064	0.07	0.522	0.076	0.003	0.003	0.625	0.133	0.879	0.727
Compound_277	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_278	CC(O)(C)C	0.65	0.051	0.132	0.473	0.03	0.009	0.722	0.119	0.679	0.846	0.785
Compound_279	CCCOCC(O)C	0.628	0.085	0.074	0.511	0.073	0.098	0.877	0.153	0.283	0.749	0.556
Compound_280	CC(COc1ccccc1)O	0.249	0.077	0.077	0.489	0.245	0.04	0.625	0.027	0.279	0.226	0.07
Compound_281	COCC(OC(=O)C)C	0.8	0.015	0.333	0.536	0.096	0.03	0.99	0.24	0.815	0.573	0.647
Compound_282	COCC(O)C	0.545	0.055	0.061	0.48	0.062	0.062	0.877	0.272	0.24	0.188	0.511
Compound_283	CCOCC(O)C	0.579	0.118	0.171	0.465	0.073	0.098	0.877	0.021	0.167	0.701	0.568
Compound_284	ClCC(OP(=O)(OC(CCl)C)OC(CCl)C)C	0.944	0.365	0.616	0.685	0.188	0.103	0.998	0.999	0.664	0.967	0.716
Compound_285	CCCCOCC(O)C	0.665	0.117	0.033	0.564	0.082	0.098	0.695	0.257	0.373	0.942	0.705
Compound_286	CC(CN)O	0.025	0.118	0.009	0.318	0.014	0.007	0.001	0.001	0.207	0.002	0.051
Compound_287	CC(CN(CCCN(C)C)CCCN(C)C)O	0.061	0.136	0.004	0.106	0.022	0.017	0.001	0.047	0.049	0.016	0.144
Compound_288	OCCN(CC(O)C)CCO	0.025	0.059	0.118	0.116	0.023	0.015	0.006	0.418	0.569	0.049	0.094
Compound_289	ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl	0.946	0.544	0.577	0.67	0.371	0.299	0.996	1.0	0.691	0.975	0.815
Compound_290	CC(CNCC(O)C)O	0.004	0.098	0.005	0.249	0.012	0.001	0.001	0.005	0.043	0.005	0.028
Compound_291	CN(CCCN(CC(O)C)CC(O)C)C	0.06	0.09	0.004	0.106	0.032	0.02	0.003	0.047	0.193	0.014	0.18
Compound_292	CC(CN(c1ccc(cc1)C)CC(O)C)O	0.241	0.318	0.349	0.476	0.176	0.278	0.055	0.073	0.441	0.011	0.199
Compound_293	CC(COc1ccc(cc1)C(c1ccc(cc1)OCC(O)C)(C)C)O	0.43	0.579	0.071	0.55	0.887	0.941	0.873	0.186	0.181	0.582	0.587
Compound_294	CC(CN(CC(O)C)CC(O)C)O	0.034	0.032	0.061	0.108	0.041	0.025	0.008	0.087	0.238	0.019	0.084
Compound_295	CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O	0.016	0.031	0.065	0.108	0.039	0.055	0.002	0.131	0.206	0.069	0.122
Compound_296	CN(CC(O)C)C	0.067	0.059	0.005	0.103	0.012	0.011	0.005	0.053	0.035	0.017	0.083
Compound_297	CCCCOCC(OCC(O)C)C	0.657	0.145	0.028	0.605	0.134	0.163	0.77	0.42	0.397	0.867	0.727
Compound_298	CCCOCC(OCC(O)C)C	0.583	0.145	0.062	0.563	0.15	0.174	0.753	0.283	0.318	0.688	0.647
Compound_299	CC(O)C	0.649	0.119	0.059	0.473	0.043	0.032	0.902	0.045	0.431	0.648	0.69
Compound_300	CC(S)(C)C	0.771	0.059	0.132	0.473	0.066	0.057	0.984	0.119	0.943	0.999	0.746
Compound_301	CC(S)C	0.718	0.097	0.059	0.473	0.116	0.145	0.993	0.045	0.909	0.998	0.766
Compound_302	ONC(C)C	0.263	0.107	0.323	0.518	0.043	0.088	0.001	0.654	0.061	0.925	0.235
Compound_303	CCN(C(C)C)C(C)C	0.222	0.132	0.1	0.067	0.038	0.068	0.003	0.247	0.518	0.944	0.438
Compound_304	CC(NC(C)C)C	0.06	0.023	0.106	0.338	0.011	0.006	0.001	0.038	0.078	0.985	0.482
Compound_305	CC(CC(=O)C)C	0.884	0.052	0.628	0.496	0.014	0.003	0.895	0.634	0.532	0.978	0.794
Compound_306	CC(=O)CC(O)(C)C	0.637	0.012	0.095	0.475	0.057	0.011	0.851	0.132	0.437	0.212	0.44
Compound_307	CC(CC(O)C)C	0.698	0.075	0.301	0.48	0.02	0.01	0.909	0.112	0.157	0.555	0.405
Compound_308	CC(CC(N)(C)C)(C)C	0.201	0.022	0.123	0.376	0.02	0.047	0.013	0.015	0.728	0.239	0.133
Compound_309	C1OC1COc1ccc(cc1)N(CC1CO1)CC1CO1	0.216	0.764	0.69	0.621	0.921	0.531	0.219	0.975	0.95	0.996	0.918
Compound_310	c1cc(OCC2CO2)cc(c1)N(CC1CO1)CC1CO1	0.191	0.764	0.702	0.606	0.901	0.487	0.248	0.958	0.701	0.996	0.918
Compound_311	O1CC1CN(c1ccc(cc1)Cc1ccc(cc1)N(CC1OC1)CC1OC1)CC1OC1	0.651	0.65	0.858	0.547	0.958	0.553	0.355	0.972	0.95	0.999	0.975
Compound_312	CCOC(=O)C1OC1(C)c1ccccc1	0.563	0.146	0.841	0.722	0.192	0.055	0.372	0.543	0.206	0.317	0.602
Compound_313	CC12CCC(CC1)C(O2)(C)C	0.939	0.305	0.035	0.415	0.099	0.096	0.544	0.084	0.616	0.977	0.47
Compound_314	CCC(CCCC(O)(C)C)C	0.909	0.095	0.057	0.455	0.11	0.021	0.893	0.261	0.421	0.977	0.722
Compound_315	Cc1ccc(c(c1)N(=O)=O)N=Nc1c(O)ccc2c1cccc2	0.942	0.784	0.957	0.71	0.936	0.591	0.985	0.993	0.625	0.998	0.981
Compound_316	Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N(=O)=O	0.987	0.776	0.985	0.745	0.905	0.695	0.989	0.996	0.544	0.998	0.991
Compound_317	O=N(=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N(=O)=O	0.98	0.74	0.971	0.723	0.916	0.677	0.969	0.994	0.558	0.998	0.988
Compound_318	OS(=O)(=O)c1ccc2c(c1)cccc2	0.909	0.481	0.98	0.484	0.854	0.494	0.977	0.906	0.494	0.915	0.129
Compound_319	Oc1ccc2c(c1)ccc(c2)C(=O)O	0.584	0.712	0.84	0.508	0.846	0.978	0.997	0.918	0.645	0.82	0.743
Compound_320	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.922	0.711	0.998	0.775	0.863	0.734	0.888	0.989	0.511	0.988	0.905
Compound_321	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(c(c1)Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.873	0.711	0.998	0.764	0.868	0.73	0.888	0.989	0.482	0.988	0.905
Compound_322	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.869	0.711	0.988	0.759	0.868	0.73	0.888	0.989	0.485	0.988	0.905
Compound_323	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)ccc1OC)C(=O)Nc1ccccc1	0.858	0.778	0.994	0.774	0.886	0.823	0.844	0.916	0.438	0.979	0.809
Compound_324	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)Nc1ccccc1	0.836	0.802	0.994	0.806	0.827	0.695	0.97	0.93	0.419	0.992	0.832
Compound_325	COc1cc(c(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C)S(=O)(=O)NC	0.615	0.584	0.977	0.555	0.655	0.671	0.542	0.906	0.415	0.612	0.334
Compound_326	CCOc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(cc1)C(=O)N	0.769	0.764	0.943	0.661	0.911	0.868	0.992	0.183	0.414	0.555	0.766
Compound_327	COc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(cc1)C(=O)N	0.825	0.778	0.965	0.665	0.894	0.879	0.993	0.111	0.422	0.661	0.737
Compound_328	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl	0.901	0.755	0.998	0.775	0.844	0.753	0.989	0.989	0.539	0.992	0.951
Compound_329	O=C(c1cc2ccccc2c(c1O)N=Nc1cc(Cl)c(cc1Cl)Cl)Nc1ccccc1C	0.866	0.785	0.968	0.767	0.631	0.748	0.975	0.994	0.445	0.994	0.904
Compound_330	O=C(c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)N(=O)=O)Nc1ccccc1	0.902	0.725	0.994	0.729	0.908	0.865	0.951	0.975	0.471	0.99	0.909
Compound_331	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)N(=O)=O	0.842	0.788	0.993	0.763	0.897	0.875	0.92	0.969	0.511	0.987	0.893
Compound_332	OCN1C(O)C(N(C1=O)CO)O	0.034	0.242	0.017	0.451	0.056	0.042	0.001	0.024	0.258	0.058	0.381
Compound_333	CN1CCN(C1=O)C	0.09	0.428	0.198	0.472	0.018	0.014	0.002	0.08	0.45	0.042	0.151
Compound_334	OCCN1CCNC1=O	0.007	0.182	0.03	0.263	0.024	0.006	0.0	0.022	0.179	0.01	0.123
Compound_335	O=C1NCCN1	0.055	0.276	0.241	0.266	0.022	0.011	0.0	0.473	0.691	0.012	0.145
Compound_336	CC(CC1OCCC(C1)(C)O)C	0.911	0.431	0.333	0.455	0.123	0.06	0.944	0.207	0.368	0.428	0.255
Compound_337	CCCCCC1CCCC(=O)O1	0.864	0.273	0.104	0.58	0.088	0.035	0.993	0.13	0.123	0.988	0.213
Compound_338	O=C1CCCCO1	0.706	0.155	0.256	0.706	0.05	0.036	0.977	0.81	0.314	0.913	0.307
Compound_339	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_340	CC1=CC(=O)C(C(=O)O1)C(=O)C	0.71	0.365	0.801	0.597	0.376	0.173	0.974	0.984	0.539	0.744	0.166
Compound_341	CC1CCOC(C1)C=C(C)C	0.968	0.194	0.104	0.592	0.143	0.056	0.737	0.869	0.632	0.954	0.754
Compound_342	COC(C(CC=C(C)C)(C)C)OC	0.752	0.042	0.527	0.569	0.127	0.066	0.972	0.976	0.737	0.98	0.933
Compound_343	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_344	CC(CCCC(O)(C)C)C	0.813	0.104	0.318	0.504	0.08	0.019	0.843	0.312	0.09	0.154	0.327
Compound_345	S=c1[nH]c2c([nH]1)cccc2	0.777	0.589	0.794	0.451	0.028	0.469	0.066	0.027	0.942	0.963	0.896
Compound_346	O=C1CCCCCN1	0.052	0.201	0.044	0.251	0.033	0.064	0.002	0.111	0.445	0.067	0.123
Compound_347	C=CN1CCCCCC1=O	0.36	0.405	0.259	0.592	0.17	0.282	0.102	0.857	0.328	0.982	0.553
Compound_348	O=C1CCCCCN1SSN1CCCCCC1=O	0.275	0.403	0.202	0.433	0.222	0.356	0.011	0.691	0.394	0.982	0.625
Compound_349	O=C1CCC2C(O1)CCCC2	0.871	0.448	0.051	0.54	0.097	0.094	0.935	0.296	0.302	0.988	0.277
Compound_350	O=C1CCc2c(O1)cccc2	0.264	0.505	0.695	0.591	0.259	0.061	0.846	0.745	0.352	0.906	0.361
Compound_351	O=C1COc2c(OC1)ccc(c2)C	0.192	0.265	0.91	0.635	0.169	0.141	0.196	0.829	0.333	0.941	0.68
Compound_352	CC1=CC(=O)CC(C1)(C)C	0.972	0.28	0.584	0.676	0.106	0.06	0.448	0.925	0.546	0.999	0.837
Compound_353	OCC#CCO	0.824	0.23	0.275	0.473	0.05	0.483	0.942	0.715	0.482	0.352	0.727
Compound_354	CC(=O)OCC=C(C)C	0.884	0.048	0.661	0.63	0.246	0.016	0.989	0.997	0.919	0.989	0.981
Compound_355	CCC(=CCC1CC=C(C1(C)C)C)CO	0.918	0.383	0.096	0.542	0.536	0.122	0.169	0.52	0.41	0.828	0.964
Compound_356	CCC(OOC(OO)(CC)C)(OO)C	0.756	0.068	0.247	0.52	0.134	0.058	0.921	0.234	0.353	0.414	0.381
Compound_357	CC(=O)CCc1ccccc1	0.748	0.122	0.409	0.544	0.02	0.04	0.959	0.415	0.592	0.839	0.288
Compound_358	CC(=O)CCc1ccc(cc1)O	0.85	0.156	0.334	0.611	0.43	0.694	0.885	0.505	0.593	0.036	0.071
Compound_359	CC(=O)C(C)(C)C	0.891	0.064	0.435	0.501	0.028	0.008	0.807	0.252	0.402	0.994	0.858
Compound_360	CCC(=NO[Si](c1ccccc1)(ON=C(CC)C)ON=C(CC)C)C	0.677	0.409	0.557	0.537	0.222	0.428	0.999	0.103	0.581	0.308	0.622
Compound_361	CCC(=NO[Si](ON=C(CC)C)(ON=C(CC)C)C)C	0.757	0.143	0.322	0.505	0.127	0.178	0.962	0.303	0.568	0.286	0.726
Compound_362	CCC(=NO[Si](ON=C(CC)C)(ON=C(CC)C)C=C)C	0.661	0.144	0.346	0.566	0.331	0.166	0.992	0.877	0.55	0.573	0.733
Compound_363	CCC(=NO[Si](ON=C(CC)C)(ON=C(CC)C)ON=C(CC)C)C	0.825	0.154	0.293	0.502	0.192	0.373	0.827	0.356	0.568	0.554	0.715
Compound_364	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_365	CCC(O)C	0.656	0.072	0.054	0.475	0.028	0.013	0.902	0.12	0.239	0.585	0.475
Compound_366	C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2	0.659	0.337	0.804	0.544	0.626	0.735	0.322	0.945	0.82	0.981	0.253
Compound_367	O=CC=C(CCC=C(C)C)C	0.835	0.015	0.701	0.514	0.17	0.252	0.952	0.948	0.9	0.995	0.952
Compound_368	N#CC=C(CCC=C(CC)C)C	0.879	0.155	0.517	0.522	0.39	0.019	0.771	0.935	0.913	0.998	0.969
Compound_369	OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O	0.723	0.452	0.852	0.457	0.263	0.596	0.942	0.932	0.685	0.18	0.926
Compound_370	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)NC(C1)(C)C	0.326	0.5	0.028	0.356	0.014	0.297	0.052	0.07	0.394	0.877	0.483
Compound_371	CCCCCCCCCCCCCCCC=CCC1CC(=O)OC1=O	0.939	0.189	0.483	0.639	0.528	0.135	1.0	0.994	0.836	0.999	0.798
Compound_372	O=C1CCC(=O)O1	0.75	0.134	0.274	0.546	0.062	0.035	0.986	0.972	0.708	0.016	0.598
Compound_373	O=C1C=CC(=O)O1	0.927	0.187	0.574	0.64	0.397	0.211	0.995	1.0	0.991	0.886	0.703
Compound_374	CC(C1=CC(=Cc2ccccc2)C=C(C1=O)C(C)(C)C)(C)C	0.969	0.4	0.957	0.68	0.191	0.63	0.634	0.993	0.907	0.999	0.944
Compound_375	COCCOCCOCCOC	0.774	0.042	0.368	0.513	0.11	0.107	0.927	0.299	0.746	0.974	0.785
Compound_376	COCCOCCOCCOCCOC	0.774	0.042	0.368	0.513	0.11	0.107	0.927	0.299	0.746	0.974	0.785
Compound_377	C=CCOC(=O)OCCOCCOC(=O)OCC=C	0.878	0.137	0.504	0.628	0.799	0.66	0.995	0.988	0.537	1.0	0.513
Compound_378	COCCO[Si](OCCOC)(OCCOC)C=C	0.802	0.045	0.634	0.624	0.281	0.128	0.963	0.979	0.717	0.945	0.682
Compound_379	CC(=O)CC(=O)C	0.902	0.059	0.236	0.505	0.035	0.031	0.99	0.32	0.612	0.376	0.863
Compound_380	CC(CC(O)(C)C)O	0.694	0.015	0.054	0.504	0.024	0.015	0.507	0.096	0.203	0.435	0.488
Compound_381	O=C1NC(=O)C(N1)(C)C	0.107	0.093	0.184	0.256	0.03	0.035	0.009	0.029	0.307	0.018	0.388
Compound_382	ClN1C(=O)N(C(C1=O)(C)C)Cl	0.337	0.401	0.261	0.604	0.066	0.07	0.211	0.993	0.554	0.562	0.561
Compound_383	OCN1C(=O)N(C(C1=O)(C)C)CO	0.133	0.438	0.061	0.439	0.032	0.086	0.008	0.044	0.268	0.012	0.541
Compound_384	OCCN1C(=O)N(C(C1=O)(C)C)CCO	0.034	0.411	0.137	0.436	0.075	0.102	0.002	0.091	0.158	0.008	0.414
Compound_385	C1=CCC(CC1)C1OCC2(CO1)COC(OC2)C1CCC=CC1	0.852	0.438	0.342	0.637	0.648	0.756	0.987	0.967	0.654	0.961	0.879
Compound_386	CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)(c1ccccc1)C	0.758	0.575	0.836	0.625	0.975	0.62	0.499	0.832	0.686	0.957	0.702
Compound_387	CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.412	0.575	0.747	0.582	0.684	0.528	0.562	0.907	0.823	0.957	0.702
Compound_388	CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC	0.94	0.583	0.177	0.601	0.213	0.379	0.992	0.946	0.871	0.952	0.667
Compound_389	O=C1NC(=O)C(C(=O)N1)N=Nc1cc2[nH]c(=O)[nH]c2cc1C	0.49	0.479	0.74	0.455	0.229	0.642	0.006	0.077	0.263	0.019	0.51
Compound_390	O=C1NC(=O)C(=c2[nH]c(=C3C(=O)NC(=O)NC3=O)c3c2cccc3)C(=O)N1	0.352	0.653	0.917	0.33	0.158	0.393	0.178	0.36	0.299	0.037	0.761
Compound_391	Nc1cc(=O)n(c(=O)n1C)C	0.061	0.296	0.168	0.372	0.098	0.018	0.006	0.013	0.621	0.002	0.187
Compound_392	c1ccc(nc1)c1ccccn1	0.743	0.719	0.853	0.537	0.142	0.731	0.163	0.32	0.978	0.49	0.965
Compound_393	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_394	CCCCCCC1CCC(=O)O1	0.87	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.359	0.998	0.655
Compound_395	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_396	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_397	Sc1nc2c(s1)cccc2	0.973	0.65	0.938	0.63	0.57	0.098	0.99	0.892	0.917	0.992	0.623
Compound_398	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_399	CCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_400	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_401	CCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_402	CCCCCCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.067	0.864	0.981	0.9	0.914	0.15	0.5
Compound_403	CCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428
Compound_404	C=CCN=C=S	0.442	0.097	0.701	0.659	0.109	0.098	0.928	0.997	0.278	0.996	0.927
Compound_405	CC(=C)CCl	0.951	0.193	0.53	0.665	0.21	0.009	0.994	0.995	0.943	0.998	0.966
Compound_406	ClCC=C	0.93	0.055	0.308	0.706	0.565	0.033	0.996	0.996	0.623	0.998	0.913
Compound_407	CC(=C)C	0.908	0.134	0.53	0.544	0.062	0.001	0.961	0.973	0.917	0.998	0.953
Compound_408	CSc1ccc(cc1)C(=O)C(N1CCOCC1)(C)C	0.056	0.527	0.33	0.295	0.246	0.299	0.012	0.069	0.216	0.112	0.274
Compound_409	O=C(C(O)(C)C)c1ccccc1	0.259	0.105	0.394	0.52	0.022	0.223	0.826	0.063	0.401	0.05	0.317
Compound_410	OCC(COC1CC2C(C1(C)CC2)(C)C)C	0.934	0.654	0.006	0.451	0.526	0.18	0.048	0.208	0.309	0.707	0.64
Compound_411	OCC(C)C	0.625	0.079	0.057	0.488	0.024	0.014	0.942	0.166	0.229	0.231	0.659
Compound_412	OCC(N)(C)C	0.072	0.057	0.049	0.397	0.004	0.011	0.341	0.021	0.283	0.0	0.101
Compound_413	CCC(=O)OCC(OC(C1CCCC(C1)(C)C)C)(C)C	0.973	0.097	0.033	0.653	0.346	0.21	0.955	0.903	0.212	0.933	0.39
Compound_414	OCC(CCl)Cl	0.768	0.112	0.16	0.601	0.131	0.157	0.978	0.888	0.693	0.857	0.915
Compound_415	CCCO	0.625	0.08	0.103	0.483	0.044	0.039	0.908	0.111	0.246	0.542	0.685
Compound_416	SCCC[Si](OCC)(OCC)OCC	0.914	0.086	0.267	0.538	0.156	0.211	0.999	0.299	0.692	0.992	0.528
Compound_417	CCCS	0.66	0.089	0.103	0.483	0.116	0.145	0.993	0.111	0.952	0.998	0.808
Compound_418	C=CC(=O)NC(CS(=O)(=O)O)(C)C	0.092	0.18	0.055	0.372	0.116	0.21	0.086	0.947	0.373	0.42	0.354
Compound_419	CCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.084	0.285	0.0	0.285	0.018	0.263	0.008	0.522	0.401	0.131	0.441
Compound_420	CCCNCCC	0.039	0.052	0.034	0.3	0.009	0.004	0.001	0.034	0.387	0.968	0.342
Compound_421	CCCN(CCC)CCC	0.199	0.287	0.057	0.117	0.032	0.054	0.01	0.322	0.685	0.931	0.451
Compound_422	COCCCN	0.078	0.114	0.089	0.356	0.008	0.009	0.004	0.008	0.32	0.017	0.271
Compound_423	CCCCOCCCN	0.08	0.119	0.026	0.386	0.012	0.014	0.004	0.004	0.389	0.951	0.265
Compound_424	NCCCOCCOCCOCCCN	0.072	0.125	0.033	0.352	0.065	0.07	0.003	0.001	0.376	0.038	0.305
Compound_425	NCCC[Si](OC)(OC)OC	0.33	0.034	0.039	0.407	0.015	0.091	0.002	0.012	0.34	0.003	0.149
Compound_426	NCCC[Si](OCC)(OCC)C	0.547	0.122	0.115	0.345	0.029	0.123	0.002	0.001	0.139	0.074	0.28
Compound_427	CCCN	0.13	0.046	0.052	0.368	0.019	0.01	0.001	0.005	0.435	0.513	0.364
Compound_428	OCCN1CCNCC1	0.008	0.087	0.012	0.133	0.004	0.001	-0.0	0.542	0.057	0.056	0.065
Compound_429	OCCN1CCN(CC1)CCS(=O)(=O)O	0.026	0.328	0.037	0.077	0.07	0.146	0.002	0.436	0.307	0.189	0.408
Compound_430	NCCN1CCNCC1	0.027	0.111	0.002	0.205	0.004	0.001	0.0	0.259	0.149	0.009	0.05
Compound_431	CCCCCO	0.695	0.037	0.113	0.556	0.023	0.021	0.952	0.494	0.115	0.74	0.545
Compound_432	C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.962	0.085	0.865	0.71	0.725	0.081	0.999	0.888	0.242	1.0	0.902
Compound_433	CCCCCCC=C	0.966	0.05	0.33	0.66	0.387	0.016	0.997	0.987	0.585	1.0	0.856
Compound_434	OCCC(CCCC(C)C)C	0.919	0.111	0.616	0.463	0.063	0.041	0.923	0.148	0.038	0.144	0.538
Compound_435	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.959	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_436	CCCCCCC(CCCC)CO	0.928	0.041	0.07	0.566	0.063	0.041	0.923	0.11	0.461	0.826	0.666
Compound_437	CCCCCCCCO	0.919	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_438	CCCCCCCCS	0.912	0.06	0.113	0.556	0.212	0.261	0.998	0.494	0.997	0.997	0.664
Compound_439	OS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.837	0.081	0.199	0.661	0.395	0.264	0.986	0.519	0.346	0.374	0.273
Compound_440	CCCCCCCCN(=O)(C)C	0.927	0.509	0.049	0.61	0.051	0.529	0.02	0.9	0.914	0.15	0.5
Compound_441	CCCCCCCCN(C)C	0.929	0.231	0.003	0.11	0.04	0.373	0.024	0.45	0.934	0.444	0.428
Compound_442	CCCCCCCCN	0.297	0.023	0.057	0.403	0.031	0.069	0.003	0.033	0.773	0.955	0.223
Compound_443	CCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_444	CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO	0.928	0.041	0.07	0.566	0.147	0.181	0.974	0.11	0.578	0.826	0.666
Compound_445	CCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_446	CCCCCCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428
Compound_447	CCCCCCCCCCCCCCCCCCN	0.321	0.023	0.057	0.403	0.045	0.317	0.403	0.033	0.773	0.955	0.223
Compound_448	CCCCCCCCCCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_449	CCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_450	C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C	0.935	0.805	0.182	0.63	0.941	0.767	0.42	0.971	0.529	0.999	0.525
Compound_451	O=C1C=C(C(=O)N1Cc1cccc(c1)CN1C(=O)C=C(C1=O)C)C	0.118	0.595	0.946	0.667	0.033	0.645	0.88	0.977	0.585	0.981	0.7
Compound_452	O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O	0.823	0.711	0.685	0.614	0.43	0.795	0.932	0.709	0.755	0.981	0.918
Compound_453	O=C1C=CC(=O)N1c1ccc(c(c1)N1C(=O)C=CC1=O)C	0.403	0.439	0.801	0.613	0.244	0.627	0.638	0.335	0.754	0.933	0.438
Compound_454	O=C1C=CC(=O)N1c1cccc(c1)N1C(=O)C=CC1=O	0.649	0.452	0.846	0.624	0.205	0.651	0.68	0.332	0.808	0.932	0.697
Compound_455	CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC1C(=NN(C1=O)c1ccccc1)C(=O)OCC)c1ccccc1	0.701	0.649	0.993	0.777	0.74	0.684	0.973	0.657	0.408	0.852	0.546
Compound_456	Cc1[nH]nc(c1)C	0.531	0.289	0.696	0.466	0.568	0.589	0.55	0.427	0.808	0.392	0.644
Compound_457	Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.046	0.217	0.069	0.223	0.14	0.15	0.001	0.038	0.649	0.024	0.087
Compound_458	COCCOCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2	0.49	0.759	0.728	0.545	0.086	0.357	0.981	0.702	0.655	0.187	0.597
Compound_459	COCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2	0.522	0.717	0.798	0.579	0.072	0.322	0.985	0.846	0.655	0.02	0.71
Compound_460	CN1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C)(C)C	0.583	0.74	0.807	0.586	0.915	0.852	0.993	0.324	0.569	0.603	0.853
Compound_461	O=C1C(c2ccc3c(n2)c(ccc3)N2C(=O)c3c(C2=O)c(Cl)c(c(c3Cl)Cl)Cl)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.715	0.606	0.982	0.504	0.765	0.674	0.949	0.997	0.442	0.429	0.926
Compound_462	CN1C(=O)c2c(C1=O)cc(cc2)N(=O)=O	0.779	0.505	0.699	0.597	0.095	0.204	0.723	0.496	0.479	0.912	0.308
Compound_463	CN1C(=O)c2c(C1=O)cccc2	0.656	0.52	0.679	0.5	0.014	0.156	0.277	0.031	0.734	0.306	0.221
Compound_464	O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br	0.388	0.593	0.266	0.58	0.64	0.422	0.188	0.936	0.418	0.835	0.684
Compound_465	O=C1N(SC2CCCCC2)C(=O)c2c1cccc2	0.842	0.614	0.368	0.44	0.341	0.841	0.893	0.589	0.706	0.996	0.569
Compound_466	NCCCn1cncc1	0.191	0.307	0.193	0.44	0.475	0.314	0.001	0.025	0.375	0.018	0.129
Compound_467	Cc1ncc[nH]1	0.521	0.313	0.549	0.448	0.31	0.745	0.0	0.191	0.599	0.352	0.613
Compound_468	Cn1cncc1	0.436	0.232	0.299	0.478	0.412	0.082	0.01	0.176	0.863	0.56	0.373
Compound_469	C=Cn1cncc1	0.192	0.309	0.637	0.545	0.461	0.107	0.007	0.664	0.832	0.563	0.584
Compound_470	Cn1ccnc1C	0.354	0.296	0.276	0.393	0.557	0.096	0.008	0.131	0.831	0.457	0.303
Compound_471	c1ncc[nH]1	0.578	0.302	0.478	0.342	0.327	0.759	0.0	0.188	0.872	0.605	0.721
Compound_472	CCCCC=C	0.912	0.064	0.33	0.66	0.173	0.004	0.995	0.987	0.462	0.999	0.833
Compound_473	CC(CC(C)(C)C)CCOC(=O)C	0.837	0.025	0.127	0.486	0.17	0.067	0.971	0.228	0.742	0.735	0.691
Compound_474	OCCC(CC(C)(C)C)C	0.762	0.144	0.117	0.401	0.085	0.077	0.759	0.212	0.192	0.145	0.5
Compound_475	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_476	CCCCCCO	0.767	0.03	0.113	0.556	0.021	0.032	0.953	0.494	0.142	0.901	0.571
Compound_477	CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC	0.749	0.312	0.13	0.161	0.029	0.678	0.912	0.552	0.874	0.992	0.476
Compound_478	CCCCC(CNCC(CCCC)CC)CC	0.139	0.154	0.035	0.369	0.02	0.207	0.401	0.072	0.537	0.986	0.163
Compound_479	CCCCC(CN)CC	0.158	0.057	0.054	0.401	0.017	0.036	0.003	0.02	0.758	0.989	0.153
Compound_480	CCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_481	CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO	0.928	0.041	0.07	0.566	0.087	0.157	0.977	0.11	0.578	0.826	0.666
Compound_482	CCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_483	CCCCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428
Compound_484	CCCCCCCCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_485	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_486	CCCCCCCO	0.844	0.03	0.113	0.556	0.031	0.027	0.905	0.494	0.155	0.901	0.571
Compound_487	O=C(N1CCCCCC1=O)NCCCCCCNC(=O)N1CCCCCC1=O	0.075	0.178	0.079	0.211	0.218	0.372	0.046	0.075	0.527	0.062	0.51
Compound_488	O=C1CCCCCN1C(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)N1CCCCCC1=O	0.783	0.363	0.736	0.59	0.788	0.882	0.996	0.245	0.547	0.618	0.568
Compound_489	C1CCCCNC1	0.05	0.081	0.037	0.47	0.067	0.081	0.001	0.03	0.612	0.193	0.191
Compound_490	CO[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C	0.968	0.583	0.024	0.463	0.448	0.251	0.103	0.308	0.434	0.978	0.546
Compound_491	c1ncn[nH]1	0.536	0.309	0.877	0.377	0.252	0.262	0.002	0.355	0.972	0.338	0.572
Compound_492	O=C1OC(=O)c2c3c1cccc3ccc2	0.832	0.52	0.981	0.59	0.107	0.438	0.996	0.486	0.778	0.065	0.741
Compound_493	CCC12COCN2COC1	0.186	0.201	0.131	0.341	0.019	0.044	0.022	0.721	0.373	0.789	0.831
Compound_494	CCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_495	CCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_496	CCCCCCCCCCC(CCCCCCCC)CO	0.928	0.041	0.07	0.566	0.087	0.157	0.977	0.11	0.578	0.826	0.666
Compound_497	CCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_498	CCCCCCCCCCCCS	0.921	0.06	0.113	0.556	0.212	0.261	0.998	0.494	0.997	0.997	0.664
Compound_499	CCCCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.051	0.529	0.02	0.9	0.914	0.15	0.5
Compound_500	CCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.04	0.373	0.024	0.45	0.934	0.444	0.428
Compound_501	CCCCCCCCCCCCN	0.321	0.023	0.057	0.403	0.031	0.069	0.003	0.033	0.773	0.955	0.223
Compound_502	CCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_503	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_504	CCCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_505	CCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.051	0.529	0.02	0.9	0.914	0.15	0.5
Compound_506	CCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.04	0.373	0.024	0.45	0.934	0.444	0.428
Compound_507	CCCCCC1=C(CCC1=O)CC(=O)OC	0.964	0.456	0.485	0.597	0.17	0.026	0.973	0.97	0.331	0.998	0.95
Compound_508	CCO[Si](CN1CCOCC1)(OCC)OCC	0.34	0.31	0.161	0.155	0.03	0.127	0.018	0.426	0.187	0.657	0.408
Compound_509	CNCCC[Si](OC)(OC)OC	0.167	0.081	0.024	0.306	0.013	0.093	0.0	0.038	0.668	0.002	0.17
Compound_510	CC(=C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C	0.862	0.056	0.04	0.58	0.315	0.134	0.987	0.983	0.89	0.999	0.764
Compound_511	C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C	0.915	0.036	0.154	0.717	0.679	0.152	0.999	0.999	0.861	0.999	0.596
Compound_512	CC(C[Si](Cl)(Cl)Cl)CC(C)(C)C	0.937	0.255	0.18	0.575	0.207	0.207	0.966	0.898	0.804	0.992	0.628
Compound_513	C=CCNC(=O)c1c(C)c(sc1[Si](C)(C)C)C	0.386	0.47	0.573	0.529	0.032	0.548	0.018	0.992	0.478	0.316	0.331
Compound_514	CCO[Si](OCC)(OCC)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.989	0.132	0.83	0.713	0.583	0.206	0.998	0.657	0.086	0.995	0.757
Compound_515	Cl[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl	0.982	0.228	0.61	0.664	0.649	0.322	0.997	0.15	0.223	0.998	0.758
Compound_516	O=C1c2cccc(c2C=CC1=N#N)S(=O)(=O)Cl	0.697	0.554	0.989	0.782	0.143	0.765	0.886	0.897	0.65	0.616	0.554
Compound_517	CCN(C(=O)c1cc(c(cc1N(CCN(C)C)CC)N1CCC(CC1)c1ccccc1)S(=O)(=O)Cc1ccccc1)CC	0.41	0.605	0.0	0.223	0.762	0.562	0.424	0.102	0.34	0.302	0.08
Compound_518	COc1cc(c(c(c1)c1cc(OC)cc(c1OP1Oc2ccccc2c2c(O1)cccc2)C(C)(C)C)OP1Oc2ccccc2c2c(O1)cccc2)C(C)(C)C	0.84	0.558	0.966	0.688	0.982	0.618	0.701	0.798	0.846	0.987	0.798
Compound_519	CCc1cc(cc2c1OCO2)C1=C(C(=O)O)N(S(=O)(=O)c2c1cccc2)c1ccccc1C(F)(F)F	0.926	0.684	0.664	0.38	0.899	0.749	0.971	0.911	0.171	0.276	0.507
Compound_520	O=N(=O)NC1=NCOCN1C	0.28	0.333	0.152	0.402	0.174	0.218	0.001	0.824	0.386	0.517	0.546
Compound_521	COc1cnc(s1)C	0.567	0.413	0.923	0.574	0.119	0.44	0.241	0.078	0.894	0.843	0.742
Compound_522	CP1(=O)OCC2(CO1)COP(=O)(OC2)C	0.592	0.6	0.29	0.556	0.135	0.196	0.854	0.413	0.662	0.416	0.662
Compound_523	Cc1cc[nH]n1	0.619	0.259	0.677	0.467	0.556	0.55	0.009	0.611	0.809	0.483	0.662
Compound_524	c1ccc[nH]1	0.538	0.286	0.583	0.484	0.169	0.604	0.004	0.409	0.972	0.955	0.712
Compound_525	Cc1ncc2c(n1)CSC2	0.233	0.487	0.425	0.362	0.16	0.21	0.003	0.109	0.541	0.091	0.175
Compound_526	CC(n1[nH]c(=O)nc1Cl)C	0.134	0.304	0.466	0.449	0.009	0.17	0.025	0.031	0.335	0.107	0.515
Compound_527	CC1SSC(S1)C	0.661	0.431	0.6	0.614	0.416	0.222	0.964	0.975	0.838	0.998	0.683
Compound_528	Cc1c[nH]nc1	0.61	0.282	0.027	0.424	0.389	0.507	0.006	0.126	0.809	0.501	0.594
Compound_529	CC1SCCSS1	0.557	0.32	0.318	0.526	0.388	0.208	0.95	0.505	0.737	0.944	0.518
Compound_530	COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F	0.38	0.241	0.036	0.266	0.422	0.663	0.056	0.925	0.408	0.022	0.486
Compound_531	CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC	0.219	0.584	0.946	0.472	0.261	0.862	0.013	0.668	0.564	0.858	0.394
Compound_532	N=C1N[C@@H]2[C@]3(N1)N(CCC3(O)O)C(=N)N[C@H]2COC(=O)N	0.231	0.499	0.002	0.352	0.122	0.492	0.001	0.006	0.036	0.011	0.561
Compound_533	CC1(C)COP(=S)(OC1)OP1(=S)OCC(CO1)(C)C	0.714	0.58	0.585	0.546	0.138	0.345	0.983	0.588	0.684	0.97	0.404
Compound_534	CC(CC1OCCC(C1)C)C	0.956	0.194	0.608	0.457	0.054	0.039	0.946	0.122	0.488	0.896	0.369
Compound_535	c1coc(c1)c1nc2c([nH]1)cccc2	0.315	0.661	0.894	0.487	0.466	0.614	0.686	0.121	0.457	0.551	0.842
Compound_536	CC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O	0.536	0.516	0.941	0.445	0.809	0.667	0.717	0.8	0.398	0.325	0.365
Compound_537	CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C	0.496	0.528	0.634	0.633	0.146	0.499	0.023	0.678	0.511	0.121	0.638
Compound_538	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)CO3)C	0.963	0.8	0.09	0.676	0.953	0.703	0.337	0.98	0.674	0.956	0.68
Compound_539	Clc1ccc2c(c1)N(=O)=NC(=N2)n1cncc1	0.469	0.563	0.75	0.603	0.437	0.541	0.203	0.113	0.926	0.892	0.733
Compound_540	CC1OCCC21SC1C(S2)(C)OCC1	0.562	0.415	0.158	0.476	0.655	0.549	0.993	0.568	0.556	0.975	0.931
Compound_541	CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I	0.512	0.437	0.843	0.576	0.266	0.312	0.018	0.646	0.418	0.098	0.414
Compound_542	CN(CCOCCOC(=O)NCC1(C)CC(NC(=O)OCCOCCN(C)C)CC(C1)(C)C)C	0.06	0.29	0.006	0.173	0.101	0.517	0.155	0.031	0.372	0.003	0.28
Compound_543	SC1CC2CC(C1C)C2(C)C	0.921	0.361	0.037	0.476	0.605	0.642	0.842	0.376	0.665	0.996	0.404
Compound_544	CC[C@@H]1C[C@H](N(C(=O)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2c(N1C(=O)OC(C)C)ccc(c2)C(F)(F)F	0.855	0.724	0.189	0.653	0.849	0.785	0.769	0.976	0.463	0.174	0.411
Compound_545	O=S1CCON=C1c1cc2c(s1)cccc2	0.649	0.64	0.997	0.484	0.373	0.57	0.929	0.668	0.572	0.334	0.408
Compound_546	Clc1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl	0.764	0.345	0.708	0.782	0.827	0.745	0.931	0.928	0.227	0.987	0.925
Compound_547	Cl[C@H]1[C@@]2(Cl)[C@H]3C4C5C1(Cl)C([C@]2(Cl)C5[C@@H]3[C@@H]1[C@H]4O1)(Cl)Cl	0.972	0.481	0.735	0.621	0.803	0.65	0.965	0.877	0.302	0.996	0.905
Compound_548	NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1F	0.368	0.622	0.288	0.454	0.021	0.623	0.797	0.959	0.43	0.01	0.168
Compound_549	CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]2N(C1=O)[C@@H](CCC2)C(=O)O)C(C)C	0.604	0.534	0.019	0.194	0.235	0.081	0.001	0.127	0.266	0.461	0.052
Compound_550	CC1C(C)(C)C2=C(C1(C)C)CCC1C2OCOC1	0.95	0.741	0.24	0.487	0.521	0.397	0.006	0.618	0.645	0.995	0.634
Compound_551	CC(c1c(N=C=O)c(cc(c1N=C=O)C(C)C)C(C)C)C	0.595	0.455	0.832	0.694	0.34	0.348	0.881	0.268	0.853	0.684	0.369
Compound_552	CNCc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCC2	0.479	0.562	0.834	0.56	0.315	0.672	0.163	0.107	0.7	0.013	0.301
Compound_553	OCCn1nc(c(c1CC)Oc1cc(C#N)cc(c1)C#N)CC	0.38	0.696	0.187	0.549	0.456	0.528	0.191	0.075	0.603	0.017	0.784
Compound_554	CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2	0.371	0.651	0.233	0.678	0.106	0.329	0.209	0.201	0.485	0.227	0.601
Compound_555	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1O)CO3	0.907	0.839	0.018	0.693	0.909	0.7	0.053	0.748	0.206	0.622	0.139
Compound_556	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@@]3([C@]2(C)[C@H](O)[C@H]1O)OC3	0.907	0.669	0.033	0.58	0.909	0.7	0.053	0.879	0.27	0.419	0.231
Compound_557	OCC(n1cnc(c1c1ccnc(n1)Oc1ccccc1)c1ccc(cc1)F)CO	0.952	0.536	0.983	0.727	0.669	0.714	0.921	0.492	0.574	0.036	0.676
Compound_558	CC(OC(=O)c1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)C(=O)OC(C)C)C)C	0.735	0.725	0.993	0.736	0.865	0.724	0.957	0.919	0.426	0.995	0.567
Compound_559	ClCCOC(=O)c1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(C)c(cc1C)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)C(=O)OCCCl)C	0.742	0.77	0.982	0.686	0.934	0.837	0.958	0.934	0.46	0.977	0.68
Compound_560	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCC[C@H](C[C@@H]([C@@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.145	0.162	0.003	0.235	0.161	0.187	0.009	0.257	0.517	0.076	0.171
Compound_561	CC(=O)Oc1ccc(cc1C1C(=O)Oc2c1cc(cc2)C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C	0.538	0.587	0.321	0.447	0.901	0.896	0.994	0.593	0.499	0.749	0.83
Compound_562	CCN(c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)(c1ccc(cc1)N(CC)CC)O)CC	0.565	0.641	0.157	0.497	0.842	0.981	0.421	0.115	0.603	0.35	0.8
Compound_563	OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.763	0.95	0.02	0.517	0.986	0.857	0.912	0.642	0.56	0.796	0.26
Compound_564	OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.762	0.95	0.02	0.515	0.987	0.877	0.912	0.642	0.56	0.796	0.26
Compound_565	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C	0.727	0.929	0.001	0.382	0.969	0.898	0.961	0.607	0.251	0.871	0.931
Compound_566	COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl	0.952	0.658	0.868	0.27	0.905	0.62	0.209	0.351	0.323	0.909	0.43
Compound_567	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.127	0.998	0.649	0.328	0.998	0.912
Compound_568	CCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC	0.939	0.12	0.879	0.627	0.165	0.284	0.977	0.251	0.782	0.993	0.832
Compound_569	O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C	0.85	0.746	0.279	0.664	0.933	0.867	0.062	0.994	0.95	0.265	0.87
Compound_570	Oc1cc2ccccc2nc1C1=C(O)c2c(C1=O)cccc2	0.698	0.869	0.948	0.495	0.885	0.747	0.993	0.72	0.657	0.296	0.984
Compound_571	Brc1c(c2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	0.949	0.38	0.931	0.745	0.62	0.254	0.995	0.921	0.903	0.996	0.835
Compound_572	CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCCNC(=O)CCCCCCCCCCCCCCCCC)C	0.261	0.095	0.003	0.079	0.017	0.24	0.452	0.021	0.414	0.021	0.298
Compound_573	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O	0.041	0.694	0.0	0.15	0.375	0.614	0.003	0.152	0.245	0.129	0.087
Compound_574	CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C	0.953	1.0	0.529	0.933	0.845	0.863	0.812	1.0	0.058	0.929	0.158
Compound_575	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C	0.446	0.378	0.383	0.304	0.506	0.625	0.012	0.922	0.345	0.507	0.514
Compound_576	O=N(=O)OCCOCCON(=O)=O	0.765	0.122	0.145	0.484	0.061	0.164	0.611	0.652	0.811	0.951	0.344
Compound_577	CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC	0.966	0.005	0.231	0.786	0.101	0.077	0.998	0.068	0.207	0.982	0.887
Compound_578	CC(=O)OCC=C	0.939	0.033	0.564	0.682	0.5	0.077	0.999	0.998	0.571	0.993	0.902
Compound_579	CCc1c(nn(c1c1ccc(cc1)Br)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1	0.952	0.885	0.926	0.82	0.597	0.658	0.633	0.977	0.495	0.193	0.122
Compound_580	CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](N(C1)C(=O)CCCCCCCCCCCCCCC)C(=O)O	0.237	0.426	0.024	0.345	0.148	0.303	0.738	0.197	0.353	0.335	0.163
Compound_581	BrC#N	0.919	0.225	0.407	0.581	0.674	0.105	0.753	0.985	0.955	0.999	0.933
Compound_582	CN(P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C)C	0.681	0.065	0.627	0.507	0.45	0.437	0.009	0.352	0.797	0.753	0.559
Compound_583	CC(C#N)O	0.757	0.217	0.03	0.472	0.111	0.052	0.841	0.235	0.534	0.72	0.814
Compound_584	ClC#N	0.903	0.206	0.407	0.581	0.76	0.076	0.766	0.985	0.942	0.997	0.928
Compound_585	S1CCSCC1	0.674	0.18	0.314	0.505	0.16	0.048	0.812	0.295	0.52	0.991	0.424
Compound_586	COCCC(=O)N(C)C	0.079	0.12	0.206	0.517	0.024	0.049	0.17	0.073	0.473	0.008	0.396
Compound_587	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_588	COc1cnccn1	0.532	0.155	0.709	0.486	0.068	0.048	0.002	0.063	0.885	0.648	0.348
Compound_589	CSc1cnccn1	0.315	0.377	0.709	0.486	0.249	0.12	0.272	0.063	0.821	0.343	0.707
Compound_590	CCSC(=O)C	0.656	0.11	0.577	0.612	0.085	0.013	0.965	0.262	0.248	0.989	0.932
Compound_591	S=C=NCCN=C=S	0.462	0.072	0.513	0.514	0.031	0.161	0.079	0.852	0.754	0.987	0.94
Compound_592	NNC(=S)N	0.515	0.093	0.883	0.363	0.477	0.159	0.167	0.259	0.968	0.928	0.297
Compound_593	CCP(=O)(OCC)OCC	0.878	0.101	0.487	0.517	0.319	0.257	0.971	0.226	0.461	0.997	0.681
Compound_594	COCO	0.824	0.064	0.123	0.478	0.176	0.112	0.794	0.707	0.57	0.144	0.714
Compound_595	CCC(=O)C(=O)CC	0.937	0.035	0.124	0.485	0.031	0.013	0.993	0.231	0.068	0.957	0.945
Compound_596	CCCP(=O)(OC)OC	0.873	0.055	0.281	0.565	0.364	0.274	0.999	0.853	0.687	0.86	0.705
Compound_597	O=C(CC(=O)O)CC(=O)O	0.267	0.042	0.074	0.12	0.063	0.06	0.374	0.211	0.477	0.008	0.162
Compound_598	CC(=O)c1nccs1	0.481	0.481	0.466	0.476	0.163	0.53	0.834	0.863	0.923	0.569	0.725
Compound_599	SCCSCCS	0.505	0.116	0.086	0.458	0.206	0.075	0.857	0.178	0.665	0.991	0.757
Compound_600	BrN1C(=O)CCC1=O	0.45	0.349	0.17	0.608	0.069	0.095	0.912	0.973	0.66	0.616	0.592
Compound_601	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_602	O1CC=CC1	0.943	0.243	0.422	0.551	0.197	0.097	0.995	0.916	0.868	0.999	0.824
Compound_603	SCCC(=O)OCCn1c(=O)n(CCOC(=O)CCS)c(=O)n(c1=O)CCOC(=O)CCS	0.545	0.251	0.07	0.578	0.329	0.417	0.738	0.478	0.439	0.067	0.65
Compound_604	CC(OP(=O)(O)C)C	0.729	0.15	0.061	0.265	0.16	0.047	0.989	0.017	0.805	0.428	0.569
Compound_605	OCCOCCCl	0.754	0.133	0.139	0.539	0.076	0.089	0.92	0.583	0.518	0.796	0.859
Compound_606	CC(=O)c1cnccn1	0.143	0.264	0.509	0.431	0.109	0.033	0.005	0.053	0.917	0.163	0.665
Compound_607	FC(C(=O)O)F	0.566	0.031	0.047	0.438	0.195	0.028	0.38	0.998	0.49	0.271	0.845
Compound_608	CC(CCl)O	0.825	0.088	0.059	0.574	0.047	0.032	0.986	0.516	0.529	0.393	0.812
Compound_609	N#CCCC#N	0.9	0.245	0.168	0.507	0.181	0.037	0.954	0.946	0.745	0.968	0.892
Compound_610	CC(OP(=O)(OC(C)C)C)C	0.863	0.157	0.294	0.507	0.168	0.045	0.995	0.826	0.869	0.966	0.708
Compound_611	COCc1cnccn1	0.234	0.316	0.476	0.405	0.108	0.052	0.002	0.095	0.779	0.057	0.597
Compound_612	CCCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CC)n(n2)Cc1ccccn1)S(=O)(=O)N1CCN(CC1)CC	0.633	0.837	0.079	0.227	0.313	0.629	0.625	0.722	0.373	0.93	0.103
Compound_613	CC(=O)Oc1cccc(c1)OC(=O)C	0.73	0.132	0.727	0.675	0.637	0.006	0.646	0.271	0.614	0.042	0.131
Compound_614	CC1=CC1	0.902	0.38	0.553	0.603	0.086	0.001	0.977	0.982	0.907	0.998	0.82
Compound_615	O=CC=C(C)C	0.879	0.135	0.65	0.61	0.098	0.125	0.984	0.996	0.928	0.999	0.984
Compound_616	CC(C(=O)O)S	0.246	0.207	0.026	0.156	0.12	0.065	0.984	0.172	0.535	0.105	0.506
Compound_617	C=CCCCCCCC(=O)C	0.982	0.02	0.275	0.591	0.231	0.014	0.979	0.908	0.372	1.0	0.905
Compound_618	CCCOc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.336	0.448	0.044	0.276	0.101	0.57	0.009	0.016	0.338	0.054	0.249
Compound_619	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1Cl	0.749	0.292	0.087	0.369	0.587	0.499	0.623	0.103	0.149	0.14	0.478
Compound_620	CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC	0.639	0.821	0.298	0.525	0.665	0.722	0.378	0.249	0.398	0.176	0.5
Compound_621	CC(NC(=O)C(=C)C)C	0.075	0.104	0.234	0.374	0.012	0.004	0.002	0.472	0.265	0.993	0.892
Compound_622	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_623	O=C(OC(C)(C)C)OC(=O)OC(C)(C)C	0.758	0.037	0.057	0.525	0.102	0.036	0.899	0.777	0.715	0.266	0.373
Compound_624	C=CCSSSCC=C	0.758	0.08	0.727	0.639	0.442	0.056	0.998	0.997	0.36	1.0	0.874
Compound_625	OCC(C=O)(CO)C	0.65	0.067	0.102	0.46	0.065	0.319	0.649	0.302	0.332	0.23	0.321
Compound_626	O=C(c1ncc2c(c1)cco2)N[C@H]1CN2CCC1CC2	0.379	0.226	0.916	0.307	0.08	0.098	0.016	0.587	0.402	0.125	0.177
Compound_627	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C	0.417	0.334	0.6	0.264	0.195	0.58	0.022	0.488	0.382	0.161	0.5
Compound_628	C=CCCCCCCCC(=O)OC	0.936	0.019	0.526	0.666	0.303	0.009	0.995	0.997	0.138	0.999	0.886
Compound_629	CC(=O)c1ccc[nH]1	0.27	0.227	0.465	0.459	0.164	0.604	0.003	0.056	0.916	0.517	0.822
Compound_630	CSC(C=NO)(C)C	0.486	0.114	0.113	0.501	0.059	0.076	0.338	0.553	0.406	0.668	0.855
Compound_631	COP(=O)(C(C(Cl)(Cl)Cl)O)OC	0.865	0.178	0.041	0.626	0.319	0.773	0.768	0.844	0.315	0.103	0.752
Compound_632	CC1(O)SCC(SC1)(C)O	0.284	0.398	0.118	0.486	0.244	0.049	0.938	0.051	0.48	0.24	0.1
Compound_633	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_634	CC(=C)CCC(=O)C	0.904	0.048	0.529	0.54	0.029	0.001	0.814	0.935	0.581	0.994	0.944
Compound_635	O=C1OCCN1N	0.09	0.29	0.021	0.62	0.064	0.099	0.031	0.359	0.358	0.003	0.228
Compound_636	ClC(C(Cl)C)Cl	0.929	0.124	0.523	0.605	0.344	0.624	0.998	0.99	0.606	0.999	0.801
Compound_637	COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C	0.672	0.382	0.538	0.48	0.551	0.633	0.315	0.344	0.29	0.931	0.539
Compound_638	O=C1CCOC1C	0.787	0.257	0.315	0.534	0.018	0.064	0.997	0.273	0.257	0.595	0.697
Compound_639	SCCC(=O)OCCOC(=O)CCS	0.563	0.054	0.099	0.642	0.328	0.25	0.987	0.472	0.745	0.947	0.875
Compound_640	CC(=CC(=O)O)C	0.652	0.084	0.104	0.254	0.29	0.005	0.931	0.278	0.797	0.835	0.932
Compound_641	C=CCCCCC(=O)O	0.58	0.15	0.128	0.106	0.226	0.008	0.972	0.073	0.042	0.329	0.277
Compound_642	C=CCCCCCCCC(=O)O	0.863	0.146	0.128	0.106	0.488	0.02	0.911	0.073	0.028	0.825	0.347
Compound_643	C#CC1CC1	0.911	0.284	0.277	0.435	0.1	0.167	0.961	0.594	0.734	0.999	0.783
Compound_644	O=N(=O)c1cc(N)c(c(c1)N(=O)=O)C	0.813	0.226	0.948	0.517	0.062	0.065	0.952	0.96	0.742	0.987	0.705
Compound_645	COC1CCCC1	0.806	0.192	0.089	0.423	0.03	0.036	0.989	0.697	0.389	0.923	0.789
Compound_646	CNC(=S)NN	0.227	0.073	0.827	0.395	0.199	0.197	0.003	0.233	0.938	0.929	0.26
Compound_647	OC(=O)CCC(C(=O)O)C	0.237	0.006	0.215	0.136	0.029	0.005	0.732	0.084	0.13	0.007	0.026
Compound_648	O=C1CC=C(O1)C	0.685	0.241	0.534	0.652	0.086	0.004	0.968	0.998	0.636	0.978	0.703
Compound_649	OCC=C(C)C	0.756	0.118	0.184	0.525	0.099	0.009	0.5	0.855	0.511	0.269	0.951
Compound_650	Cc1nc(c(s1)C(=O)C)C	0.651	0.554	0.675	0.574	0.091	0.469	0.84	0.665	0.785	0.521	0.816
Compound_651	CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC	0.595	0.073	0.731	0.747	0.488	0.102	0.98	0.996	0.395	0.972	0.586
Compound_652	CC1CCC(=O)O1	0.694	0.272	0.095	0.545	0.047	0.038	0.995	0.221	0.366	0.504	0.339
Compound_653	CCCCNCC	0.031	0.081	0.034	0.364	0.007	0.006	0.001	0.054	0.468	0.977	0.266
Compound_654	O=C[C@@H]([C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.777	0.006	0.282	0.589	0.173	0.317	0.968	0.181	0.542	0.076	0.92
Compound_655	CCCCCCCOCC(CC=O)C	0.785	0.041	0.061	0.553	0.075	0.387	0.995	0.561	0.721	0.999	0.95
Compound_656	COc1ccc(cc1S(=O)(=O)O)N	0.505	0.275	0.875	0.266	0.463	0.59	0.308	0.063	0.362	0.035	0.467
Compound_657	CCCCCCCCC=CC=O	0.997	0.052	0.268	0.599	0.412	0.572	0.999	0.956	1.007	1.0	0.87
Compound_658	ClC(C=C)CCl	0.918	0.095	0.699	0.717	0.675	0.114	0.998	0.996	0.894	0.998	0.923
Compound_659	c1ccn[nH]1	0.659	0.329	0.891	0.489	0.558	0.545	0.012	0.227	0.853	0.711	0.648
Compound_660	ClCCCCC(=O)C	0.959	0.031	0.255	0.687	0.127	0.084	0.998	0.997	0.291	0.996	0.98
Compound_661	CCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_662	CCc1nccnc1C	0.175	0.691	0.491	0.416	0.11	0.095	0.013	0.56	0.886	0.124	0.623
Compound_663	COc1ccc(c(c1)N)OC	0.626	0.223	0.985	0.653	0.294	0.126	0.994	0.457	0.71	0.609	0.708
Compound_664	CC(C(=O)OCC)C=C=C	0.74	0.025	0.751	0.732	0.269	0.018	0.992	0.983	0.334	0.992	0.916
Compound_665	CCC(C(=O)C)S	0.72	0.115	0.058	0.488	0.065	0.08	0.987	0.112	0.662	0.994	0.758
Compound_666	Cc1nccc(n1)C(=O)C	0.7	0.255	0.519	0.432	0.127	0.223	0.001	0.226	0.556	0.107	0.102
Compound_667	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC	0.715	0.355	0.05	0.426	0.579	0.566	0.634	0.063	0.342	0.324	0.457
Compound_668	NCCC(=O)O	0.019	0.112	0.009	0.078	0.034	0.004	0.0	0.001	0.075	-0.0	0.047
Compound_669	CCCCCC(=O)N	0.074	0.001	0.028	0.309	0.003	0.008	0.497	0.059	0.458	0.229	0.098
Compound_670	CC(C(S)C)S	0.582	0.206	0.059	0.473	0.129	0.094	0.996	0.045	0.924	0.997	0.736
Compound_671	Sc1ccoc1C	0.58	0.34	0.396	0.432	0.135	0.472	0.922	0.907	0.904	0.998	0.88
Compound_672	Cc1cc(C)[nH]c(=O)n1	0.194	0.304	0.547	0.456	0.148	0.036	0.392	0.091	0.789	0.019	0.258
Compound_673	CC1CCOCC1	0.855	0.12	0.177	0.47	0.016	0.022	0.974	0.06	0.599	0.968	0.295
Compound_674	SCCCCCCCCS	0.912	0.181	0.115	0.517	0.317	0.351	0.995	0.319	0.938	0.988	0.7
Compound_675	OCCNC(CC)C	0.003	0.108	0.074	0.147	0.009	0.004	0.0	0.027	0.362	0.804	0.147
Compound_676	CCCCN(C=O)CCCC	0.319	0.121	0.272	0.559	0.021	0.377	0.009	0.602	0.741	0.985	0.534
Compound_677	CC1=CC(=O)C(O1)C	0.639	0.28	0.597	0.579	0.026	0.052	0.968	0.94	0.575	0.986	0.538
Compound_678	CC(CCOC(=O)C)CCCC(C)C	0.937	0.012	0.679	0.599	0.129	0.03	0.995	0.32	0.389	0.98	0.799
Compound_679	OC1C(O)N(C(=O)N1C)C	0.034	0.172	0.029	0.452	0.039	0.02	0.001	0.017	0.364	0.065	0.118
Compound_680	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	0.782	0.058	0.842	0.698	0.19	0.154	0.99	0.957	0.445	0.99	0.593
Compound_681	CC(=O)c1ccccn1	0.209	0.106	0.443	0.492	0.032	0.098	0.015	0.865	0.818	0.465	0.391
Compound_682	CSCCC=C(CSC)C=O	0.645	0.096	0.557	0.617	0.33	0.363	0.997	0.991	0.652	0.998	0.974
Compound_683	NCCCN(CCO)C	0.007	0.093	0.01	0.106	0.006	0.004	0.0	0.105	0.054	0.009	0.126
Compound_684	SCCc1cnccn1	0.119	0.34	0.682	0.347	0.268	0.271	0.164	0.182	0.95	0.01	0.918
Compound_685	CCCCCCCC(=O)NCC(=O)O	0.032	0.068	0.018	0.241	0.044	0.006	0.002	0.027	0.269	0.015	0.039
Compound_686	Cc1ccc(s1)C=O	0.733	0.471	0.691	0.56	0.135	0.61	1.0	0.943	0.657	0.981	0.406
Compound_687	OCCNc1ccc(cc1N(=O)=O)N	0.664	0.222	0.822	0.357	0.597	0.096	0.001	0.912	0.293	0.004	0.558
Compound_688	COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O	0.65	0.224	0.659	0.417	0.085	0.141	0.981	0.582	0.517	0.823	0.666
Compound_689	CC1CNC(=O)N1	0.035	0.276	0.279	0.297	0.018	0.017	0.0	0.073	0.418	0.01	0.116
Compound_690	Fc1ccccc1	0.989	0.169	0.84	0.59	0.055	0.011	0.999	0.622	0.99	0.997	0.076
Compound_691	CCCCN(C(=O)SCCC)CC	0.115	0.094	0.349	0.683	0.094	0.118	0.107	0.537	0.231	0.995	0.595
Compound_692	OC(=O)c1cccc(c1)N(=O)=O	0.778	0.161	0.772	0.433	0.115	0.065	0.94	0.954	0.436	0.86	0.731
Compound_693	OCC(CO)N	0.037	0.142	0.036	0.332	0.025	0.034	0.001	0.055	0.224	0.001	0.095
Compound_694	CCCSc1nc(Cl)c(c(n1)Cl)N(=O)=O	0.512	0.354	0.647	0.595	0.331	0.357	0.549	0.87	0.802	0.753	0.796
Compound_695	CC(CC)CCC(=O)O	0.428	0.017	0.227	0.116	0.027	0.002	0.904	0.102	0.09	0.318	0.222
Compound_696	CCNc1nc(NC(C)C)nc(n1)O	0.558	0.164	0.571	0.292	0.208	0.49	0.0	0.11	0.453	0.47	0.243
Compound_697	CCOc1ccccc1	0.711	0.128	0.829	0.674	0.176	0.111	0.939	0.51	0.608	0.981	0.493
Compound_698	CN1CCC(CC1)Cl	0.543	0.245	0.027	0.22	0.052	0.161	0.126	0.728	0.531	0.051	0.029
Compound_699	Cc1cnc(c(n1)C)C	0.332	0.392	0.602	0.436	0.105	0.036	0.008	0.745	0.933	0.56	0.533
Compound_700	CC1=C(C)S(=O)(=O)CCS1(=O)=O	0.383	0.644	0.301	0.5	0.196	0.064	0.957	0.993	0.527	0.964	0.166
Compound_701	CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.438	0.112	0.999	0.969	0.416	1.0	0.942
Compound_702	CC(CCCCCOC(=O)C)C	0.889	0.012	0.615	0.654	0.097	0.02	0.99	0.647	0.437	0.98	0.799
Compound_703	Cc1cc(=O)[nH]o1	0.589	0.45	0.314	0.391	0.084	0.038	0.078	0.005	0.68	0.902	0.649
Compound_704	COc1cccc(c1)O	0.94	0.176	0.8	0.714	0.487	0.027	0.931	0.015	0.24	0.123	0.169
Compound_705	Cc1ccc(cc1N)S(=O)(=O)O	0.373	0.175	0.918	0.315	0.658	0.499	0.813	0.036	0.421	0.018	0.135
Compound_706	COc1ccc2c(c1)[nH]c(=S)[nH]2	0.641	0.517	0.795	0.494	0.114	0.609	0.053	0.018	0.969	0.961	0.755
Compound_707	Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N	0.671	0.277	0.983	0.502	0.67	0.681	0.831	0.842	0.4	0.032	0.181
Compound_708	CCC(=CCCC(OC(=O)C)(C=C)C)C	0.948	0.07	0.286	0.65	0.478	0.057	0.785	0.999	0.819	1.0	0.963
Compound_709	Oc1cccnc1N	0.228	0.471	0.229	0.51	0.077	0.204	0.002	0.121	0.706	0.513	0.589
Compound_710	C=CCCCCCCCCC(=O)NCC(=O)O	0.065	0.149	0.022	0.267	0.208	0.017	0.003	0.757	0.166	0.03	0.306
Compound_711	CN1CCC(CC1)O	0.111	0.227	0.018	0.108	0.004	0.04	0.004	0.031	0.18	0.007	0.01
Compound_712	CNC(=O)ON=CC(S(=O)(=O)C)(C)C	0.149	0.16	0.07	0.334	0.037	0.034	0.001	0.803	0.416	0.568	0.605
Compound_713	CCc1cnc(cn1)C	0.352	0.437	0.513	0.4	0.097	0.046	0.013	0.67	0.887	0.044	0.612
Compound_714	SC1CCCC1	0.773	0.246	0.061	0.505	0.149	0.242	0.973	0.363	0.835	0.994	0.305
Compound_715	COCc1ccc(cc1)COC	0.619	0.159	0.636	0.554	0.042	0.14	0.997	0.222	0.798	0.918	0.317
Compound_716	Cn1nc(c(c1)C(=O)O)C(F)F	0.307	0.472	0.054	0.37	0.354	0.115	0.671	0.879	0.79	0.049	0.645
Compound_717	CC1CCC(=O)CC1	0.943	0.148	0.263	0.427	0.017	0.009	0.952	0.055	0.466	0.998	0.343
Compound_718	OC(=O)C(C(C(=O)O)CC(=O)O)CC(=O)O	0.216	0.009	0.06	0.103	0.086	0.058	0.449	0.232	0.418	0.02	0.093
Compound_719	OOC(CC(C)(C)C)(C)C	0.832	0.028	0.081	0.477	0.151	0.072	0.875	0.714	0.573	0.323	0.674
Compound_720	FC(C(Cl)(Cl)F)(Cl)Cl	0.94	0.068	0.433	0.615	0.635	0.467	0.883	0.883	0.631	0.999	0.931
Compound_721	CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC	0.522	0.648	0.935	0.569	0.087	0.345	0.227	0.523	0.317	0.943	0.585
Compound_722	Clc1cccc(n1)C(=O)O	0.342	0.189	0.509	0.433	0.463	0.124	0.931	0.42	0.604	0.232	0.155
Compound_723	CC(=O)Nc1cc(ccc1N=Nc1ccc(cc1Cl)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C	0.807	0.634	0.852	0.527	0.646	0.634	0.706	0.67	0.609	0.975	0.326
Compound_724	CCc1nccnc1CC	0.165	0.551	0.491	0.402	0.179	0.198	0.02	0.622	0.886	0.099	0.642
Compound_725	O=C(n1cncc1)n1cncc1	0.194	0.409	0.689	0.539	0.283	0.338	0.01	0.216	0.829	0.216	0.628
Compound_726	C1CCc2c(C1)nccn2	0.155	0.498	0.437	0.441	0.204	0.302	0.016	0.477	0.874	0.449	0.876
Compound_727	c1ccn(c1)Cc1ccco1	0.309	0.259	0.908	0.568	0.096	0.098	0.017	0.968	0.441	0.804	0.841
Compound_728	CC1CCc2c1nccn2	0.154	0.494	0.288	0.456	0.286	0.392	0.011	0.6	0.757	0.021	0.68
Compound_729	OC(=O)c1ccnc(c1)C(=O)O	0.097	0.157	0.267	0.331	0.05	0.114	0.016	0.101	0.461	0.052	0.479
Compound_730	CCOc1ccccc1C(=O)O	0.162	0.247	0.244	0.271	0.168	0.027	0.017	0.051	0.55	0.347	0.191
Compound_731	CC(=O)SCc1ccco1	0.4	0.236	0.262	0.435	0.087	0.521	0.93	0.961	0.341	0.739	0.866
Compound_732	Cc1nc(C)c(nc1C)C	0.68	0.392	0.6	0.474	0.231	0.06	0.845	0.909	0.933	0.56	0.533
Compound_733	CCc1ccc(s1)C=O	0.649	0.434	0.606	0.455	0.159	0.661	1.0	0.971	0.634	0.981	0.522
Compound_734	Nc1ccc(cc1)C(=O)N	0.66	0.257	0.171	0.321	0.028	0.573	0.919	-0.0	0.872	0.508	0.724
Compound_735	O=CCC(CC(C)(C)C)C	0.905	0.047	0.144	0.366	0.064	0.241	0.958	0.314	0.628	0.965	0.794
Compound_736	CCc1ncc(nc1C)C	0.239	0.68	0.513	0.417	0.116	0.091	0.019	0.67	0.887	0.218	0.535
Compound_737	CCC(C1N=C(C(S1)C)C)C	0.393	0.415	0.488	0.461	0.182	0.075	0.182	0.141	0.701	0.963	0.666
Compound_738	CCCCCCC(C(=O)O)CCCC	0.754	0.01	0.072	0.2	0.087	0.005	0.888	0.226	0.051	0.854	0.358
Compound_739	CCCCCCCCC(=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_740	COc1cc(Cl)c(cc1N)OC	0.662	0.31	0.988	0.651	0.529	0.482	0.995	0.412	0.679	0.896	0.778
Compound_741	CCCCCCCCN(CCC(=O)O)CCC(=O)O	0.4	0.111	0.01	0.071	0.062	0.088	0.004	0.046	0.355	0.086	0.284
Compound_742	Brc1ccc(cc1)OC(=O)N1CCN2CCC1CC2	0.339	0.589	0.249	0.28	0.61	0.626	0.004	0.663	0.428	0.611	0.335
Compound_743	Fc1ccc(cc1)Br	1.0	0.159	0.821	0.595	0.214	0.142	0.999	0.473	0.841	0.998	0.262
Compound_744	CCCSC(=O)N(CCC)CCC	0.094	0.094	0.326	0.67	0.105	0.088	0.107	0.395	0.192	0.995	0.581
Compound_745	OCc1ccc(o1)C=O	0.356	0.055	0.147	0.444	0.005	0.065	0.845	0.707	0.621	0.015	0.725
Compound_746	COC(=O)Oc1ccc(cc1OC)C	0.658	0.191	0.858	0.638	0.227	0.191	0.885	0.024	0.609	0.601	0.114
Compound_747	CCC1=C(O)C(=O)CC1	0.807	0.368	0.296	0.554	0.046	0.024	0.918	0.591	0.168	0.967	0.832
Compound_748	SCc1ccccn1	0.298	0.274	0.09	0.469	0.109	0.471	0.322	0.886	0.951	0.055	0.776
Compound_749	S=C=Nc1ccccc1	0.906	0.401	0.899	0.622	0.111	0.673	0.999	0.939	0.914	0.999	0.96
Compound_750	COCCc1ccccc1	0.467	0.156	0.745	0.579	0.025	0.08	0.998	0.282	0.85	0.489	0.373
Compound_751	O[C@H]1CN[C@@H](C1)C(=O)O	-0.001	0.232	0.039	0.102	0.035	0.007	0.005	0.028	0.084	0.001	0.046
Compound_752	OCCNc1ccccc1N(=O)=O	0.725	0.205	0.805	0.361	0.479	0.045	0.001	0.856	0.333	0.009	0.608
Compound_753	CCSC(=O)N(CC(C)C)CC(C)C	0.103	0.07	0.812	0.602	0.073	0.083	0.061	0.506	0.262	0.996	0.564
Compound_754	Oc1cccc(c1C)O	0.877	0.236	0.828	0.653	0.224	0.057	0.204	0.972	0.859	0.841	0.214
Compound_755	OC1C(=O)OCC1(C)C	0.536	0.252	0.038	0.62	0.052	0.103	0.833	0.234	0.385	0.043	0.03
Compound_756	Brc1cc(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br	0.954	0.704	0.961	0.68	0.647	0.652	0.995	0.963	0.372	0.999	0.995
Compound_757	CC(=O)N1CCCCCC1=O	0.57	0.343	0.236	0.438	0.095	0.23	0.032	0.076	0.419	0.845	0.446
Compound_758	OC(=O)COc1c(C)cccc1C	0.093	0.155	0.154	0.284	0.042	0.02	0.118	0.036	0.285	0.302	0.075
Compound_759	O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1	0.039	0.067	0.074	0.099	0.298	0.394	0.003	0.023	0.282	0.017	0.187
Compound_760	COc1ccc(cc1)C(=O)Cl	0.855	0.177	0.844	0.782	0.286	0.327	0.603	0.057	0.905	0.92	0.655
Compound_761	Cc1ccccc1S	0.819	0.286	0.828	0.657	0.159	0.254	0.991	0.965	0.822	0.999	0.479
Compound_762	SC1CCOC1C	0.537	0.335	0.005	0.466	0.075	0.288	0.993	0.035	0.682	0.496	0.491
Compound_763	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N	0.018	0.186	0.002	0.133	0.394	0.031	0.009	0.011	0.047	0.01	0.087
Compound_764	O=C(NS(=O)(=O)c1occ(c1)C(O)(C)C)Nc1c2CCCc2cc2c1CCC2	0.34	0.443	0.037	0.289	0.308	0.676	0.852	0.077	0.412	0.024	0.259
Compound_765	Cc1cccc2c1nccn2	0.111	0.699	0.761	0.55	0.068	0.093	0.11	0.43	0.62	0.806	0.979
Compound_766	OC(=O)COc1ccc(cc1)Cl	0.163	0.082	0.295	0.358	0.122	0.063	0.605	0.031	0.103	0.22	0.163
Compound_767	Brc1cccc(c1)Br	0.989	0.152	0.84	0.607	0.2	0.486	0.999	0.765	0.892	0.998	0.236
Compound_768	CON(C(=O)Nc1ccc(cc1)Br)C	0.925	0.349	0.975	0.892	0.346	0.653	0.197	0.397	0.48	0.789	0.575
Compound_769	CC(SCc1ccco1)C	0.364	0.229	0.344	0.416	0.099	0.584	0.952	0.907	0.389	0.922	0.836
Compound_770	CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)cc(cc2C)c1nc2c(n1C)cccc2	0.453	0.787	0.446	0.692	0.8	0.689	0.997	0.949	0.613	0.865	0.5
Compound_771	CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC	0.386	0.523	0.908	0.458	0.224	0.463	0.107	0.093	0.471	0.069	0.62
Compound_772	CCC(OC(=O)C)(CCCC(C)C)C	0.92	0.036	0.241	0.548	0.167	0.03	0.895	0.924	0.229	0.998	0.815
Compound_773	CCCCOc1ccccc1	0.617	0.184	0.601	0.671	0.176	0.111	0.939	0.886	0.782	0.928	0.643
Compound_774	Nc1ccc(cc1)F	0.946	0.249	0.938	0.663	0.108	0.101	0.99	0.883	0.936	0.977	0.171
Compound_775	CCCCCCCC(=O)OCCOc1ccccc1	0.647	0.211	0.652	0.788	0.476	0.059	0.993	0.86	0.496	0.996	0.468
Compound_776	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_777	c1ccc2c(c1)[nH]cn2	0.27	0.619	0.93	0.425	0.174	0.787	0.009	0.144	0.349	0.769	0.911
Compound_778	O=C(c1ccccc1)C(=O)C	0.836	0.153	0.657	0.53	0.043	0.255	0.911	0.149	0.375	0.827	0.61
Compound_779	OCCNc1ccc(c(c1)O)C	0.311	0.423	0.903	0.376	0.559	0.034	0.014	0.213	0.305	0.004	0.241
Compound_780	COc1cc(Cl)c(cc1Cl)OC	0.875	0.179	0.822	0.695	0.6	0.458	0.955	0.077	0.715	0.965	0.641
Compound_781	CC(OC(=O)CCCCCCCCC(=O)OC(C)C)C	0.902	0.015	0.232	0.543	0.102	0.039	0.999	0.158	0.423	0.985	0.809
Compound_782	COc1ccc(cc1)C(OC)OC	0.534	0.103	0.808	0.676	0.171	0.411	0.965	0.007	0.569	0.83	0.149
Compound_783	OCCNc1ccc(cc1N(=O)=O)C	0.661	0.195	0.877	0.431	0.5	0.034	0.004	0.606	0.406	0.009	0.549
Compound_784	Brc1ccc(cc1)Br	0.989	0.152	0.821	0.595	0.2	0.649	0.999	0.473	0.816	0.998	0.236
Compound_785	Cc1cccc(c1)N	0.793	0.196	0.954	0.556	0.031	0.066	0.98	0.938	0.851	0.976	0.305
Compound_786	CCCCCc1cccs1	0.747	0.431	0.366	0.55	0.247	0.651	1.0	0.972	0.787	0.998	0.523
Compound_787	C1Oc2c(O1)cccc2	0.867	0.345	0.965	0.527	0.074	0.176	0.987	0.666	0.675	0.994	0.828
Compound_788	Fc1cccc(c1)Br	1.0	0.159	0.84	0.607	0.214	0.142	0.999	0.765	0.967	0.998	0.262
Compound_789	CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC	0.658	0.034	0.498	0.708	0.361	0.225	0.995	0.913	0.495	0.999	0.731
Compound_790	NC(=O)Nc1ccc(cc1)C	0.712	0.205	0.674	0.434	0.213	0.729	0.949	0.005	0.853	0.059	0.143
Compound_791	CCCC1CCCC(=O)O1	0.913	0.186	0.104	0.58	0.068	0.037	0.996	0.13	0.279	0.985	0.127
Compound_792	COc1cc(C)cc(c1O)OC	0.74	0.132	0.829	0.648	0.623	0.047	0.778	0.016	0.923	0.648	0.466
Compound_793	O=C=Nc1ccc(c(c1)Cl)C	0.679	0.5	0.552	0.69	0.75	0.567	0.999	0.146	0.843	0.972	0.668
Compound_794	CC1CC(NC(=O)N)NC(=O)N1	0.061	0.252	0.055	0.277	0.015	0.075	0.0	0.003	0.427	0.021	0.057
Compound_795	Cc1cc(C)cc(c1)N	0.639	0.199	0.976	0.552	0.031	0.083	0.98	0.667	0.864	0.939	0.278
Compound_796	CSCC(=NOC(=O)NC)C(C)(C)C	0.165	0.043	0.189	0.378	0.296	0.082	0.013	0.23	0.491	0.105	0.692
Compound_797	Cc1cccc2c1n1cnnc1s2	0.468	0.673	0.888	0.557	0.428	0.769	0.934	0.966	0.852	0.725	0.204
Compound_798	Nc1ccc(c(c1)O)C	0.494	0.398	0.955	0.508	0.56	0.098	0.984	0.944	0.607	0.579	0.913
Compound_799	O=N(=O)c1cc(ccc1C)S(=O)(=O)C	0.863	0.29	0.674	0.587	0.212	0.321	0.992	0.142	0.409	0.893	0.591
Compound_800	CCCCC(COCCCNC(=O)Nc1cccc2c1cccc2NC(=O)NCCCOCC(CCCC)CC)CC	0.784	0.546	0.172	0.501	0.529	0.893	0.819	0.661	0.635	0.452	0.494
Compound_801	O=CC(CCCC(CCC=C(C)C)C)C	0.988	0.021	0.478	0.585	0.122	0.088	0.988	0.927	0.553	1.0	0.959
Compound_802	Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N	0.12	0.297	0.022	0.114	0.12	0.17	0.157	0.017	0.246	0.195	0.311
Compound_803	Nc1cc(Cl)cc(c1)Cl	0.864	0.164	0.946	0.599	0.403	0.195	0.995	0.955	0.891	0.981	0.219
Compound_804	Cc1cccc(c1S)C	0.683	0.264	0.436	0.577	0.173	0.304	0.988	0.887	0.897	0.996	0.471
Compound_805	CC(c1ccc(o1)C)CC=O	0.319	0.141	0.361	0.521	0.042	0.233	0.969	0.945	0.66	0.764	0.71
Compound_806	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_807	Brc1ccc(c(c1)Br)Br	0.98	0.08	0.849	0.629	0.209	0.648	0.999	0.925	0.771	1.0	0.442
Compound_808	CN(C(=O)Nc1ccc(cc1)Cl)C	0.953	0.263	0.942	0.796	0.415	0.543	0.904	0.239	0.636	0.557	0.1
Compound_809	O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)C)C(=O)O	0.028	0.197	0.059	0.11	0.54	0.049	0.002	0.092	0.023	0.272	0.054
Compound_810	CCCCCc1ccco1	0.479	0.271	0.366	0.55	0.028	0.27	0.993	0.972	0.461	0.998	0.902
Compound_811	CNC(=O)C(C(C)C)(C(C)C)C	0.089	0.064	0.197	0.36	0.018	0.005	0.002	0.239	0.454	0.305	0.372
Compound_812	CC1CN(NC1=O)c1ccccc1	0.333	0.376	0.951	0.441	0.079	0.095	0.009	0.071	0.4	0.015	0.148
Compound_813	OCCNc1ccc(cc1N(=O)=O)N(CCO)CCO	0.466	0.094	0.622	0.394	0.611	0.098	0.001	0.628	0.376	0.227	0.656
Compound_814	CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(cc1Cl)C(=O)OCC	0.934	0.322	0.986	0.762	0.884	0.732	0.992	0.702	0.568	0.999	0.397
Compound_815	CCCCCC=CCC(C(=O)O)CC(=O)O	0.655	0.067	0.088	0.136	0.356	0.018	0.578	0.253	0.496	0.896	0.182
Compound_816	SCC(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS	0.756	0.1	0.075	0.573	0.553	0.7	0.95	0.246	0.863	0.675	0.962
Compound_817	OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O	0.646	0.096	0.361	0.4	0.75	0.654	0.893	0.65	0.638	0.666	0.424
Compound_818	C=Cc1ccc(cc1)C=C	0.966	0.287	0.579	0.576	0.05	0.096	0.999	0.986	0.932	0.997	0.419
Compound_819	O=Cc1ccc(c(c1)O)O	0.885	0.154	0.338	0.62	0.594	0.272	0.889	0.951	0.228	0.724	0.544
Compound_820	CC(=O)Nc1cc(cc(c1O)N)S(=O)(=O)O	0.189	0.285	0.632	0.34	0.475	0.604	0.02	0.012	0.391	0.011	0.341
Compound_821	CCOC(=O)CCC1(C)OCC(O1)C	0.715	0.313	0.363	0.62	0.129	0.134	0.988	0.511	0.305	0.994	0.907
Compound_822	Cc1cncc(n1)SCc1ccco1	0.293	0.649	0.358	0.513	0.245	0.603	0.064	0.49	0.429	0.089	0.882
Compound_823	Cc1cnc(cn1)SCc1ccco1	0.352	0.649	0.358	0.503	0.245	0.603	0.064	0.831	0.429	0.089	0.882
Compound_824	Cc1cc(C)c(c(c1)O)Cl	0.832	0.133	0.687	0.615	0.757	0.196	0.581	0.366	0.806	0.958	0.675
Compound_825	CC1CC=C(C(=O)C1C)C	0.965	0.353	0.631	0.629	0.095	0.031	0.169	0.876	0.672	0.998	0.798
Compound_826	CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C	0.156	0.255	0.076	0.319	0.078	0.391	0.003	0.012	0.379	0.023	0.51
Compound_827	O=c1ccc(c[nH]1)C(F)(F)F	0.427	0.392	0.13	0.493	0.434	0.165	0.857	0.743	0.78	0.336	0.843
Compound_828	O=C=Nc1ccc(c(c1)Cl)Cl	0.866	0.533	0.955	0.676	0.274	0.421	0.999	0.991	0.644	0.981	0.857
Compound_829	NCCCCCCCCCN	0.321	0.035	0.057	0.386	0.04	0.087	0.002	0.004	0.486	0.103	0.259
Compound_830	Brc1cc(Br)c(cc1Oc1c(Br)c(Br)c(c(c1Br)Br)Br)Br	0.95	0.704	0.921	0.728	0.647	0.652	0.995	0.98	0.396	0.999	0.995
Compound_831	Cc1ccc(c(c1)O)C(=O)O	0.28	0.205	0.19	0.309	0.27	0.156	0.01	0.243	0.098	0.44	0.024
Compound_832	CCOC(=O)COc1ccc(cc1C)Cl	0.074	0.2	0.925	0.707	0.069	0.079	0.1	0.937	0.428	0.992	0.456
Compound_833	CCCCCCCOC(=O)CCC(=O)OCCCCCCC	0.874	0.003	0.251	0.736	0.123	0.159	0.995	0.649	0.726	0.998	0.912
Compound_834	NCCCCCN	0.102	0.035	0.057	0.386	0.011	0.019	0.001	0.004	0.446	0.103	0.259
Compound_835	CCCCCCc1ccco1	0.528	0.328	0.366	0.55	0.037	0.312	0.986	0.972	0.493	1.0	0.929
Compound_836	O=Cc1c(C)cc(cc1C)C	0.846	0.068	0.668	0.554	0.017	0.124	0.99	0.207	0.902	0.984	0.606
Compound_837	Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N	0.121	0.116	0.112	0.285	0.199	0.477	0.111	0.006	0.09	0.029	0.15
Compound_838	Cc1nccnc1SCc1ccco1	0.288	0.626	0.358	0.487	0.235	0.602	0.052	0.557	0.429	0.088	0.901
Compound_839	Oc1c(Cl)cc(c(c1Cl)Cl)Cl	0.924	0.149	0.633	0.74	0.853	0.899	0.991	0.996	0.819	0.994	0.918
Compound_840	COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F	0.59	0.699	0.839	0.543	0.537	0.344	0.556	0.811	0.391	0.021	0.382
Compound_841	O=C1CC(=CC(C1)(C)C)C	0.951	0.28	0.56	0.61	0.139	0.028	0.548	0.913	0.832	0.999	0.837
Compound_842	OCCc1ccc(c(c1)O)O	0.535	0.119	0.88	0.55	0.727	0.077	0.919	0.922	0.071	0.657	0.202
Compound_843	N#CC(c1c(Cl)cc(cc1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl	0.454	0.523	0.104	0.656	0.962	0.898	0.958	0.228	0.591	0.149	0.918
Compound_844	CCN(C(=O)n1nnn(c1=O)c1ccccc1Cl)C1CCCCC1	0.2	0.499	0.086	0.499	0.409	0.793	0.882	0.583	0.461	0.645	0.226
Compound_845	Clc1cc(N)c(c(n1)C(=O)O)Cl	0.152	0.455	0.875	0.414	0.533	0.29	0.606	0.196	0.551	0.317	0.208
Compound_846	Nc1cccc2c1c(N)ccc2	0.95	0.833	0.99	0.706	0.221	0.568	0.928	0.995	0.887	0.996	0.98
Compound_847	CCCCc1c(C)nc(nc1O)NCC	0.643	0.334	0.808	0.372	0.443	0.529	0.0	0.429	0.429	0.631	0.188
Compound_848	CCCCCCCCC(=O)OCC(CCCC)CC	0.871	0.012	0.147	0.692	0.08	0.056	0.999	0.357	0.229	0.997	0.905
Compound_849	CC1OC(C)OC(OC(O1)C)C	0.704	0.07	0.6	0.624	0.052	0.075	0.904	0.974	0.696	0.981	0.427
Compound_850	CCOC(OCCc1ccccc1)C	0.423	0.134	0.722	0.564	0.036	0.405	0.996	0.537	0.731	0.982	0.665
Compound_851	CCOP(=S)(OCC)SCSc1ccc(cc1)Cl	0.616	0.447	0.989	0.69	0.671	0.675	0.998	0.58	0.079	0.996	0.676
Compound_852	O=CC[C@H]1CC=C(C1(C)C)C	0.924	0.316	0.338	0.579	0.314	0.138	0.467	0.972	0.636	0.991	0.981
Compound_853	Clc1nc(nc(n1)Cl)Nc1ccccc1Cl	0.904	0.708	0.986	0.561	0.436	0.696	0.274	0.906	0.8	0.9	0.264
Compound_854	N#Cc1ccc(cc1)C(=O)C	0.974	0.188	0.653	0.575	0.29	0.123	0.847	0.533	0.573	0.827	0.823
Compound_855	Oc1cc(C)c(c(c1C)C)O	0.694	0.114	0.636	0.597	0.361	0.086	0.633	0.993	0.887	0.974	0.595
Compound_856	CC(OCCOC(=O)c1ccccc1O)C	0.461	0.307	0.568	0.645	0.368	0.084	0.245	0.201	0.388	0.72	0.207
Compound_857	C1CCC(CC1)Cc1nccnc1	0.4	0.44	0.303	0.454	0.311	0.499	0.002	0.349	0.945	0.409	0.673
Compound_858	CC1=NN(C(=N)C1)c1cccc(c1)S(=O)(=O)O	0.399	0.387	0.652	0.326	0.423	0.631	0.02	0.043	0.415	0.008	0.261
Compound_859	C=CC1(C)CCC(O1)C(=C)C	0.985	0.303	0.136	0.651	0.328	0.135	0.763	0.997	0.455	0.966	0.977
Compound_860	O=Cc1cc2c(o1)cccc2	0.351	0.478	0.996	0.518	0.001	0.117	0.919	0.978	0.582	0.941	0.856
Compound_861	COc1cc(C=CC(=O)O)ccc1O	0.794	0.247	0.192	0.477	0.595	0.067	0.66	0.767	0.666	0.898	0.274
Compound_862	O=C(N(C)C)Nc1ccc(cc1)C(C)C	0.847	0.238	0.818	0.571	0.27	0.844	0.265	0.059	0.739	0.183	0.093
Compound_863	COc1ccc2c(c1)CC(=O)CC2	0.611	0.536	0.627	0.69	0.375	0.499	0.928	0.531	0.471	0.969	0.81
Compound_864	O=C=Nc1cc(Cl)cc(c1)Cl	0.832	0.587	0.859	0.749	0.527	0.333	0.998	0.981	0.844	0.97	0.795
Compound_865	OCCS(=O)(=O)c1ccc(cc1)NC(=O)C	0.274	0.199	0.193	0.461	0.225	0.277	0.193	0.005	0.334	0.003	0.095
Compound_866	CC(C1CCC(=C)CC1)(O)C	0.915	0.175	0.112	0.509	0.222	0.007	0.381	0.847	0.412	0.698	0.885
Compound_867	CNC(=O)N(c1ccccc1)c1ccccc1	0.876	0.679	0.458	0.278	0.545	0.41	0.277	0.056	0.511	0.834	0.21
Compound_868	OS(=O)(=O)CCCNC1CCCCC1	0.051	0.249	0.004	0.191	0.095	0.258	0.001	0.005	0.341	0.024	0.376
Compound_869	CC(CNS(=O)(=O)c1ccccc1)O	0.06	0.39	0.008	0.129	0.022	0.274	0.003	0.019	0.276	0.0	0.08
Compound_870	CCCCCCCCCCCCCCCCCCOC(=O)CCS	0.818	0.046	0.087	0.729	0.242	0.521	1.0	0.794	0.773	0.993	0.816
Compound_871	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_872	CC(c1ccc(cc1)N=C=O)C	0.69	0.47	0.834	0.59	0.342	0.674	0.982	0.204	0.781	0.664	0.558
Compound_873	Cc1c(C)oc2c1cccc2	0.321	0.396	0.972	0.539	0.013	0.268	0.688	0.677	0.763	0.994	0.899
Compound_874	CC(CC(=O)Sc1cc(oc1C)C)C	0.352	0.288	0.91	0.546	0.197	0.488	0.627	0.539	0.256	0.927	0.878
Compound_875	S(Cc1ccco1)Cc1ccco1	0.393	0.508	0.371	0.409	0.23	0.767	0.994	0.866	0.431	0.93	0.988
Compound_876	BrCCC(CCBr)(CO)CO	0.761	0.162	0.105	0.577	0.186	0.137	0.922	0.328	0.315	0.594	0.874
Compound_877	CCCCCCCCCCCC(=O)OCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.589	0.998	0.912
Compound_878	Clc1cc(Cl)c(cc1N)Cl	0.904	0.218	0.97	0.605	0.078	0.463	0.997	0.99	0.76	0.992	0.399
Compound_879	BrCc1cccc(c1)C#N	0.88	0.221	0.847	0.733	0.49	0.355	0.988	0.977	0.799	0.99	0.92
Compound_880	CC(CC(C)(C)C)CC(C)(C)C	0.969	0.057	0.18	0.397	0.135	0.039	0.979	0.434	0.792	0.996	0.646
Compound_881	ClCCN(c1ccc(cc1)C=O)CC	0.806	0.525	0.675	0.552	0.546	0.65	0.686	0.966	0.96	0.841	0.942
Compound_882	Brc1cc(cc(c1O)Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)O	0.832	0.551	0.417	0.698	0.621	0.66	0.914	0.891	0.522	0.996	0.74
Compound_883	O1CC1CN(c1ccccc1)CC1OC1	0.623	0.545	0.826	0.539	0.905	0.356	0.713	0.969	0.695	0.986	0.924
Compound_884	COP(=O)(SCn1c(=O)oc2c1ncc(c2)Cl)OC	0.458	0.6	0.946	0.535	0.177	0.098	0.375	0.967	0.623	0.388	0.918
Compound_885	CCOC(=O)OC1CCCCC1C(C)(C)C	0.931	0.326	0.209	0.529	0.185	0.071	0.831	0.732	0.491	0.99	0.417
Compound_886	CCCCCCCCc1ccco1	0.617	0.328	0.366	0.55	0.037	0.312	0.986	0.972	0.533	1.0	0.929
Compound_887	COc1cc(CC=C)cc(c1O)OC	0.846	0.313	0.878	0.692	0.756	0.061	0.894	0.986	0.488	0.807	0.208
Compound_888	O=N(=O)c1cc(ccc1Cl)C(F)(F)F	0.985	0.454	0.811	0.747	0.581	0.228	0.999	0.998	0.569	0.989	0.936
Compound_889	OCc1c[nH]c2c1cccc2	0.205	0.429	0.94	0.513	0.252	0.647	0.004	0.607	0.589	0.056	0.786
Compound_890	COCC(N(c1c(C)cccc1CC)C(=O)CS(=O)(=O)O)C	0.477	0.534	0.112	0.372	0.134	0.347	0.675	0.243	0.359	0.17	0.355
Compound_891	COc1cc2CC(=O)NC=Cc2cc1OC	0.273	0.513	0.407	0.44	0.095	0.266	0.002	0.247	0.511	0.08	0.144
Compound_892	N=C1NC(=N)c2c1cccc2	0.952	0.749	0.652	0.378	0.011	0.419	0.127	0.944	0.91	0.712	0.918
Compound_893	OC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N	0.088	0.319	0.012	0.248	0.576	0.623	0.085	0.06	0.373	0.107	0.257
Compound_894	COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.088	0.655	0.698	0.206	0.866	0.914	0.997	0.007	0.343	0.096	0.644
Compound_895	ClC(=O)c1c(I)c(C(=O)Cl)c(c(c1I)N)I	0.558	0.311	0.621	0.584	0.484	0.441	0.994	0.901	0.403	0.958	0.712
Compound_896	CCCCCOC(=O)Cc1ccccc1	0.427	0.075	0.278	0.694	0.06	0.042	0.988	0.849	0.609	0.995	0.729
Compound_897	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	0.93	0.56	0.985	0.747	0.709	0.259	0.983	0.53	0.861	0.997	0.745
Compound_898	OC(=O)CCCCC1SSCC1	0.651	0.365	0.066	0.162	0.257	0.098	0.983	0.074	0.105	0.084	0.415
Compound_899	SCC1CCC2CC1C2(C)C	0.921	0.367	0.046	0.42	0.557	0.621	0.842	0.182	0.667	0.676	0.528
Compound_900	CC(=CC=CC(=O)C)CCC=C(C)C	0.874	0.053	0.908	0.599	0.21	0.069	0.453	0.922	0.95	0.997	0.945
Compound_901	CCCCCCCCCCCCOC(=O)CCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_902	CC(c1cccc(c1)C(O)(C)C)(O)C	0.32	0.117	0.429	0.601	0.166	0.083	0.503	0.253	0.534	0.519	0.629
Compound_903	N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.281	0.408	0.418	0.583	0.704	0.645	0.766	0.988	0.421	0.262	0.695
Compound_904	COCC(N(c1c(C)cccc1CC)C(=O)C(=O)O)C	0.574	0.336	0.09	0.309	0.098	0.043	0.456	0.134	0.124	0.024	0.095
Compound_905	c1csc(c1)SSc1cccs1	0.882	0.717	0.476	0.46	0.677	0.673	0.999	0.173	0.978	0.999	0.815
Compound_906	O=C=Nc1cccc(c1)C(F)(F)F	0.764	0.575	0.934	0.766	0.363	0.191	0.998	0.9	0.53	0.761	0.84
Compound_907	O[C@H]1[C@H](O)O[C@H]2[C@@H]1OC(=O)[C@@H]2O	0.569	0.145	0.02	0.527	0.099	0.35	0.012	0.401	0.146	0.746	0.087
Compound_908	CCC(C1CCC(=O)CC1)(C)C	0.98	0.21	0.48	0.48	0.095	0.026	0.653	0.065	0.576	0.999	0.704
Compound_909	OC(=O)[C@@H](c1ccccc1Cl)O	0.031	0.156	0.314	0.365	0.297	0.074	0.848	0.062	0.177	0.894	0.53
Compound_910	COCCN(c1c(C)cccc1C)C(=O)CCl	0.918	0.763	0.533	0.704	0.895	0.064	0.992	0.952	0.534	0.134	0.558
Compound_911	O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O	0.231	0.295	0.346	0.468	0.244	0.178	0.606	0.792	0.401	0.617	0.596
Compound_912	Clc1c(C)cc(c(c1C)Cl)O	0.873	0.133	0.353	0.627	0.607	0.263	0.667	0.357	0.675	0.958	0.675
Compound_913	Cc1oc(c(c1)SC(=O)c1cocc1)C	0.479	0.529	0.906	0.556	0.3	0.649	0.97	0.05	0.561	0.761	0.968
Compound_914	CCCC(=O)OC(Cc1ccccc1)C	0.423	0.094	0.3	0.57	0.081	0.03	0.973	0.54	0.282	0.961	0.36
Compound_915	CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC	0.607	0.693	0.983	0.634	0.372	0.581	0.676	0.709	0.495	0.545	0.906
Compound_916	CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.96	0.161	0.086	0.396	0.077	0.023	0.739	0.092	0.491	0.972	0.521
Compound_917	N#CCCNCCCN(C)C	0.079	0.192	0.0	0.186	0.078	0.016	0.001	0.802	0.448	0.029	0.47
Compound_918	CCCCCCC1C(=O)CCC1C(=O)OC	0.894	0.359	0.213	0.508	0.009	0.027	0.636	0.49	0.556	0.947	0.794
Compound_919	CCC(c1ccccc1O)(C)C	0.71	0.093	0.481	0.633	0.386	0.52	0.151	0.876	0.735	0.99	0.428
Compound_920	CC(=C1CCC(CC1)(C)O)C	0.862	0.224	0.212	0.495	0.09	0.029	0.337	0.508	0.499	0.94	0.855
Compound_921	N#CCN(CC#N)CCCN(CC#N)CC#N	0.255	0.19	0.038	0.175	0.086	0.115	0.01	0.663	0.758	0.901	0.896
Compound_922	OC(=O)COc1ccc2c(c1)cccc2	0.299	0.39	0.42	0.383	0.48	0.098	0.999	0.539	0.39	0.335	0.488
Compound_923	COc1ccc(cc1)C=C(C(=O)OC)C(=O)OC	0.92	0.424	0.693	0.68	0.294	0.545	0.632	0.441	0.819	0.944	0.893
Compound_924	OC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.726	0.455	0.273	0.558	0.264	0.285	0.771	0.132	0.333	0.94	0.712
Compound_925	COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.952	0.475	0.858	0.811	0.345	0.212	0.863	0.909	0.534	0.111	0.7
Compound_926	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	0.466	0.497	0.942	0.616	0.295	0.446	0.002	0.03	0.134	0.235	0.346
Compound_927	ClCCN(c1ccc(c(c1)C)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CC	0.889	0.562	0.981	0.686	0.801	0.777	0.997	0.979	0.693	0.9	0.853
Compound_928	CC(CCCCCCCOC(=O)CC(CC(C)(C)C)C)C	0.888	0.011	0.582	0.564	0.197	0.095	0.996	0.877	0.275	0.968	0.749
Compound_929	CCCC(=O)C(Sc1ccoc1C)CC	0.472	0.296	0.699	0.49	0.267	0.763	0.976	0.498	0.518	1.0	0.935
Compound_930	COc1ccc(c(c1)C)Nc1ccccc1	0.577	0.599	0.939	0.68	0.608	0.806	0.964	0.726	0.696	0.962	0.927
Compound_931	CCCCC(c1ccccc1)C#N	0.909	0.203	0.227	0.466	0.307	0.059	0.913	0.922	0.694	0.951	0.769
Compound_932	Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1	0.415	0.515	0.868	0.841	0.193	0.588	0.013	0.042	0.058	0.688	0.428
Compound_933	CC1(S)CCC2CC1C2(C)C	0.93	0.394	0.079	0.428	0.59	0.639	0.81	0.347	0.616	0.997	0.4
Compound_934	O=C1CCCCCCCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.138	0.097	0.996	0.81	0.189	0.978	0.752
Compound_935	N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1	0.793	0.836	0.947	0.627	0.595	0.898	0.735	0.957	0.879	0.924	0.946
Compound_936	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_937	COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)Cl	0.949	0.831	0.909	0.789	0.682	0.752	0.998	0.892	0.554	0.996	0.962
Compound_938	Cc1nnc(c(=O)n1N)c1ccccc1	0.44	0.485	0.89	0.714	0.135	0.664	0.016	0.803	0.657	0.002	0.078
Compound_939	ClC1=C(Cl)C2(C(C1(Cl)C1C2COC1)(Cl)Cl)Cl	0.89	0.648	0.494	0.633	0.845	0.354	0.998	0.834	0.105	1.0	0.891
Compound_940	NC1=C(Cl)C(=O)c2c(C1=O)cccc2	0.268	0.534	0.458	0.598	0.334	0.847	0.608	0.817	0.796	0.928	0.961
Compound_941	Nc1ccn(c(=O)n1)[C@@H]1CS[C@@H](O1)CO	0.389	0.121	0.084	0.428	0.638	0.098	0.04	0.328	0.287	0.0	0.642
Compound_942	OS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1	0.38	0.456	0.973	0.518	0.659	0.661	0.193	0.198	0.374	0.095	0.308
Compound_943	Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C	0.952	0.646	0.586	0.594	0.451	0.571	0.982	0.978	0.347	0.039	0.557
Compound_944	OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C	0.643	0.529	0.659	0.217	0.612	0.646	0.982	0.067	0.403	0.024	0.087
Compound_945	COc1cc(ccc1N=NC(C(=O)Nc1cc(Cl)ccc1OC)C(=O)C)N(=O)=O	0.567	0.752	0.995	0.709	0.411	0.581	0.614	0.628	0.447	0.994	0.828
Compound_946	COc1ccc(cc1)C=CC(=O)OCCC(C)C	0.943	0.287	0.881	0.877	0.475	0.827	0.812	0.285	0.297	0.866	0.178
Compound_947	ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.523	0.68	0.619	0.683	0.734	0.387	0.95	0.814	0.603	0.048	0.406
Compound_948	CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC	0.935	0.423	0.286	0.593	0.869	0.695	1.0	0.971	0.985	1.0	0.865
Compound_949	Cc1occc1SSc1ccoc1C	0.445	0.525	0.919	0.444	0.473	0.685	0.975	0.604	0.834	0.997	0.918
Compound_950	CCOC(=O)OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.51	0.763	1.0	0.743	0.939	0.877	0.995	0.882	0.545	0.695	0.445
Compound_951	CNc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)O	0.618	0.289	0.993	0.574	0.815	0.654	0.223	0.821	0.467	0.784	0.83
Compound_952	O=c1[nH]cnc2c1cccc2	0.283	0.689	0.863	0.484	0.194	0.088	0.344	0.14	0.773	0.188	0.641
Compound_953	CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC	0.53	0.619	0.996	0.553	0.661	0.339	0.521	0.92	0.474	0.98	0.778
Compound_954	O=C(N(C)C)Nc1cccc(c1)C(F)(F)F	0.892	0.426	0.865	0.766	0.267	0.098	0.777	0.989	0.52	0.048	0.231
Compound_955	O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F	0.821	0.592	0.975	0.777	0.946	0.928	0.898	0.695	0.492	0.83	0.963
Compound_956	COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.905	0.172	0.744	0.647	0.626	0.739	0.996	0.091	0.64	0.99	0.752
Compound_957	CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C	0.522	0.503	0.988	0.602	0.28	0.167	0.043	0.043	0.425	0.231	0.228
Compound_958	CC(CC(c1ccccc1)(C)C)OC(=O)C	0.824	0.138	0.354	0.589	0.217	0.084	0.752	0.469	0.777	0.529	0.178
Compound_959	c1ccc(cc1)Sc1ccccc1	0.743	0.56	0.922	0.59	0.583	0.668	0.997	0.771	0.869	0.999	0.821
Compound_960	CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC	0.952	0.838	0.97	0.421	0.121	0.611	0.0	0.937	0.358	0.722	0.53
Compound_961	C1CC=CCCC=CCCC=C1	0.779	0.14	0.313	0.606	0.351	0.02	0.987	0.829	0.929	0.999	0.567
Compound_962	OCC(COc1ccc(cc1)Cl)O	0.101	0.132	0.443	0.509	0.236	0.17	0.04	0.028	0.086	0.33	0.205
Compound_963	CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C	0.967	1.0	0.013	0.955	0.478	0.909	0.026	0.007	0.077	0.212	0.076
Compound_964	CCOc1ccc2c(n1)c(=O)c(c[nH]2)C(=O)NCc1ccccc1	0.952	0.83	0.848	0.383	0.304	0.511	0.001	0.942	0.44	0.019	0.732
Compound_965	Clc1c(ccc(c1N)N(=O)=O)Oc1ccccc1	0.902	0.751	0.968	0.685	0.814	0.596	0.97	0.998	0.685	0.998	0.964
Compound_966	CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC	0.952	0.585	0.985	0.716	0.665	0.618	0.974	0.851	0.483	0.994	0.77
Compound_967	CCCN(c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O)CCC	0.82	0.265	0.069	0.569	0.707	0.074	0.645	0.941	0.741	0.82	0.814
Compound_968	NCc1ccc(cc1)OC	0.463	0.089	0.558	0.647	0.011	0.598	0.005	0.004	0.493	0.084	0.052
Compound_969	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.952	0.5	0.841	0.738	0.31	0.413	0.502	0.972	0.413	0.407	0.621
Compound_970	Clc1ccc(cc1Cl)C(F)(F)F	0.957	0.21	0.962	0.719	0.291	0.098	0.997	0.994	0.665	1.0	0.484
Compound_971	Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2	0.465	0.676	0.426	0.298	0.209	0.95	0.759	0.872	0.443	0.285	0.509
Compound_972	COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(cc1Cl)F	0.455	0.5	0.278	0.659	0.625	0.651	0.652	0.942	0.42	0.047	0.277
Compound_973	CCOC(=O)c1ccoc1c1ccccc1	0.188	0.415	0.982	0.764	0.048	0.199	0.691	0.535	0.793	0.263	0.566
Compound_974	CC(=O)C(=CCC1CC=C(C1(C)C)C)C	0.983	0.328	0.653	0.6	0.435	0.051	0.052	0.853	0.833	0.998	0.979
Compound_975	CCCN(C(=O)SCc1ccccc1)CCC	0.176	0.288	0.339	0.566	0.042	0.125	0.17	0.926	0.193	0.98	0.202
Compound_976	N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.444	0.602	0.541	0.587	0.783	0.65	0.773	0.953	0.789	0.355	0.643
Compound_977	CC(COC(=O)C1CCCCC1C(=O)OCC(C)C)C	0.851	0.077	0.125	0.636	0.147	0.043	0.979	0.724	0.641	0.983	0.349
Compound_978	COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(C2=O)COc1cc(=O)n2c(n1)c(OCCN1CCCCC1)ccc2	0.952	0.619	0.016	0.398	0.183	0.713	0.846	0.96	0.352	0.763	0.339
Compound_979	CC(CC(c1ccccc1)(C)C)O	0.723	0.094	0.136	0.575	0.08	0.124	0.479	0.075	0.214	0.419	0.134
Compound_980	O=C(C1CC=CCC1C(=O)OCC1OC1)OCC1OC1	0.914	0.305	0.24	0.746	0.93	0.217	0.886	0.971	0.933	0.998	0.951
Compound_981	ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl	0.995	0.51	0.742	0.639	0.879	0.65	0.925	0.418	0.373	0.999	0.673
Compound_982	Nc1cnn(c(=O)c1Cl)c1ccccc1	0.213	0.519	0.799	0.502	0.772	0.686	0.796	0.1	0.869	0.003	0.216
Compound_983	ClCCCn1c(=O)[nH]c2c1cccc2	0.828	0.465	0.385	0.536	0.212	0.307	0.087	0.655	0.081	0.106	0.545
Compound_984	Cc1oc(cc1SSc1cc(oc1C)C)C	0.237	0.492	0.889	0.565	0.458	0.659	0.865	0.628	0.834	0.999	0.92
Compound_985	COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C	0.175	0.414	0.533	0.427	0.097	0.138	0.012	0.529	0.408	0.315	0.198
Compound_986	O=S(=O)(c1ccccc1)NS(=O)(=O)c1ccccc1	0.31	0.451	0.025	0.132	0.232	0.802	0.568	0.04	0.421	0.535	0.236
Compound_987	O=Cc1cccc(c1)Oc1ccccc1	0.771	0.754	0.536	0.569	0.392	0.729	0.992	0.283	0.566	0.84	0.921
Compound_988	CNC(=O)Oc1cccc2c1OC(O2)(C)C	0.419	0.426	0.28	0.352	0.385	0.116	0.173	0.976	0.66	0.207	0.266
Compound_989	OCC(CCCC1CCCCC1)C	0.928	0.076	0.076	0.541	0.083	0.061	0.931	0.123	0.411	0.087	0.131
Compound_990	CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl	0.152	0.517	0.575	0.666	0.814	0.343	0.985	0.987	0.424	0.968	0.755
Compound_991	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC1CC1	0.913	0.38	0.118	0.701	0.871	0.185	0.971	0.923	0.615	0.616	0.859
Compound_992	CCCCCCCCCCCCOC(=O)CCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_993	NCCc1ccc(c(c1)OC)OC	0.123	0.134	0.252	0.562	0.012	0.188	0.004	0.011	0.132	0.003	0.017
Compound_994	COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O	0.364	0.781	0.042	0.329	0.232	0.788	0.306	0.236	0.399	0.106	0.294
Compound_995	CCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_996	CC(=CCCC(=CCCC(=O)C)C)CCC=C(C)C	0.8	0.028	0.633	0.542	0.115	0.006	0.929	0.823	0.605	1.0	0.957
Compound_997	CCON=C(C1=C(O)CC(CC1=O)C1CCCSC1)CCC	0.636	0.619	0.004	0.433	0.612	0.575	0.408	0.54	0.329	0.037	0.66
Compound_998	CCOC(=O)COc1cc(c(cc1Cl)F)n1ncc(c(c1=O)C)C(F)(F)F	0.536	0.677	0.634	0.689	0.744	0.524	0.878	0.976	0.457	0.329	0.397
Compound_999	O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C	0.738	0.739	0.912	0.708	0.459	0.121	0.259	0.856	0.386	0.407	0.535
Compound_1000	ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)F	0.488	0.507	0.176	0.315	0.311	0.898	0.04	0.151	0.375	0.519	0.56