Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	C/C=C(\C(=O)OCCC(C)C)/C	0.941	0.001	0.872	0.775	0.489	0.031	0.987	0.989	0.218	0.957	0.926
Compound_2	CCCCC(=O)OCCC(C)C	0.694	0.013	0.673	0.719	0.066	0.01	0.983	0.42	0.199	0.997	0.885
Compound_3	O=COCCC1=CCC(=CC1)C(C)C	0.772	0.225	0.548	0.666	0.159	0.103	0.914	0.971	0.617	0.998	0.821
Compound_4	O=CO[C@H]1CC2C(C1(C)CC2)(C)C	0.933	0.616	0.08	0.458	0.487	0.202	0.049	0.374	0.551	0.998	0.341
Compound_5	CC(CC(=O)OC1CC2C(C1(C)CC2)(C)C)C	0.899	0.608	0.277	0.416	0.542	0.08	0.039	0.602	0.418	0.998	0.292
Compound_6	CO[C@H]1C[C@@H]2C([C@]1(C)CC2)(C)C	0.96	0.609	0.04	0.384	0.419	0.106	0.045	0.108	0.494	0.99	0.76
Compound_7	CCC(=O)OC1CC2C(C1(C)CC2)(C)C	0.924	0.608	0.043	0.54	0.562	0.088	0.061	0.63	0.215	1.0	0.634
Compound_8	CC(COC(=O)c1ccccc1)C	0.49	0.122	0.653	0.616	0.051	0.132	0.989	0.007	0.55	0.389	0.171
Compound_9	CCCC(=O)OCC(C)C	0.71	0.014	0.111	0.677	0.082	0.013	0.98	0.471	0.429	0.997	0.874
Compound_10	CC(COC(=O)C=Cc1ccccc1)C	0.965	0.175	0.6	0.805	0.292	0.478	0.991	0.904	0.482	0.953	0.275
Compound_11	O=COCC(C)C	0.756	0.025	0.176	0.51	0.038	0.072	0.984	0.063	0.61	0.677	0.736
Compound_12	CC(COC(=O)CCc1ccco1)C	0.428	0.141	0.293	0.558	0.038	0.128	0.957	0.902	0.39	0.953	0.633
Compound_13	CCCCCCC(=O)OCC(C)C	0.802	0.012	0.122	0.707	0.051	0.013	0.985	0.606	0.34	0.996	0.89
Compound_14	CCCCCC(=O)OCC(C)C	0.75	0.012	0.122	0.707	0.054	0.019	0.963	0.606	0.331	0.996	0.89
Compound_15	CC(COC(=O)CC(C)C)C	0.71	0.01	0.553	0.618	0.081	0.01	0.982	0.773	0.492	0.915	0.807
Compound_16	C=CC(CCC=C(CC(C)C)C)(O)C	0.827	0.118	0.409	0.54	0.315	0.028	0.058	0.933	0.348	0.966	0.939
Compound_17	COc1nccnc1CC(C)C	0.233	0.389	0.93	0.482	0.057	0.134	0.004	0.12	0.635	0.081	0.198
Compound_18	CNc1ccccc1C(=O)OCC(C)C	0.151	0.434	0.926	0.512	0.146	0.207	0.06	0.026	0.489	0.044	0.41
Compound_19	CCC(C(=O)OCC(C)C)C	0.71	0.007	0.481	0.618	0.081	0.01	0.982	0.366	0.511	0.99	0.858
Compound_20	CC(COc1ccc2c(c1)cccc2)C	0.644	0.631	0.921	0.701	0.62	0.624	0.941	0.658	0.566	0.978	0.788
Compound_21	CC(COC(=O)Cc1ccccc1)C	0.279	0.125	0.251	0.621	0.061	0.043	0.978	0.308	0.428	0.799	0.254
Compound_22	CCC(=O)OCC(C)C	0.74	0.008	0.122	0.697	0.047	0.011	0.987	0.775	0.341	0.946	0.871
Compound_23	CC(Cc1ccc2c(n1)cccc2)C	0.555	0.517	0.795	0.516	0.507	0.422	0.52	0.709	0.878	0.063	0.736
Compound_24	CC(Cc1ccc2c(c1)cccn2)C	0.469	0.508	0.569	0.545	0.159	0.158	0.174	0.555	0.817	0.56	0.757
Compound_25	CC(Cc1ccnc2c1cccc2)C	0.431	0.508	0.679	0.537	0.107	0.104	0.057	0.222	0.817	0.56	0.757
Compound_26	CC(COC(=O)c1ccccc1O)C	0.428	0.191	0.258	0.657	0.314	0.105	0.041	0.06	0.293	0.123	0.038
Compound_27	CC(Cc1nccs1)C	0.383	0.453	0.368	0.453	0.149	0.649	0.695	0.873	0.736	0.514	0.733
Compound_28	CC=C(C(=O)OCC(C)C)C	0.946	0.022	0.392	0.742	0.524	0.043	0.984	0.997	0.678	0.99	0.951
Compound_29	CC(C12CCC(O2)(CC1)C)C	0.969	0.416	0.034	0.502	0.153	0.084	0.783	0.411	0.465	0.996	0.707
Compound_30	O=CC1C(C)CC(=CC1C)C	0.951	0.343	0.4	0.625	0.107	0.127	0.638	0.964	0.701	0.999	0.789
Compound_31	OCC1C(C)CC(=CC1C)C	0.884	0.322	0.081	0.548	0.12	0.058	0.097	0.132	0.331	0.317	0.579
Compound_32	CC(CCCCCCCOC(=O)C)C	0.943	0.012	0.615	0.654	0.124	0.027	0.995	0.647	0.449	0.98	0.799
Compound_33	OCCCCCCCC(C)C	0.928	0.097	0.477	0.527	0.061	0.037	0.923	0.164	0.06	0.264	0.356
Compound_34	CC=Cc1ccc(c(c1)OC)O	0.832	0.297	0.784	0.809	0.415	0.066	0.833	0.929	0.711	0.903	0.584
Compound_35	C/C=C/c1ccc(c(c1)OC)OC(=O)C	0.755	0.291	0.872	0.772	0.305	0.032	0.516	0.463	0.771	0.941	0.402
Compound_36	CC=Cc1ccc(c(c1)OC)OC(=O)c1ccccc1	0.837	0.536	0.871	0.772	0.648	0.414	0.878	0.638	0.672	0.88	0.647
Compound_37	CC=Cc1ccc(c(c1)OC)OC(=O)Cc1ccccc1	0.569	0.463	0.89	0.74	0.669	0.25	0.951	0.727	0.351	0.925	0.527
Compound_38	O=CC1CCC(=CC1)CCC=C(C)C	0.973	0.234	0.642	0.614	0.146	0.234	0.955	0.959	0.665	0.999	0.873
Compound_39	CC1=C(C/C=C/CC)CCC1=O	0.974	0.31	0.558	0.557	0.336	0.032	0.905	0.887	0.695	1.0	0.992
Compound_40	CC1(C)CCC2C3(C41CCC(C4)C3(C)C)O2	0.945	0.629	0.015	0.481	0.821	0.361	0.098	0.333	0.603	0.997	0.701
Compound_41	CC(=O)C(=CC1=C(C)CCCC1(C)C)C	1.002	0.181	0.837	0.657	0.367	0.306	0.798	0.881	0.953	0.999	0.803
Compound_42	O=CCCCCCC(C)C	0.967	0.02	0.725	0.471	0.055	0.188	0.993	0.537	0.17	0.996	0.863
Compound_43	CC(CCCCCCOC(=O)C)C	0.937	0.012	0.615	0.654	0.124	0.027	0.995	0.647	0.449	0.98	0.799
Compound_44	CCC(=O)OCCCCCCC(C)C	0.924	0.012	0.682	0.737	0.104	0.018	0.995	0.833	0.208	0.996	0.89
Compound_45	CCCC(CC(CC(CC)C)C)C	0.993	0.08	0.273	0.452	0.109	0.028	0.981	0.609	0.806	1.0	0.847
Compound_46	CCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.107	0.025	0.981	0.882	0.603	1.0	0.851
Compound_47	CCC(=C/C=C/C(O)(C)C)C	0.675	0.096	0.566	0.537	0.331	0.068	0.051	0.94	0.706	0.962	0.965
Compound_48	CCOC(OCC)CCCCC(C)C	0.859	0.044	0.788	0.508	0.047	0.066	0.995	0.76	0.053	0.999	0.884
Compound_49	CC(CCC1(C)OCC=CCO1)C	0.894	0.161	0.663	0.526	0.621	0.246	0.972	0.819	0.257	1.0	0.788
Compound_50	CC(=C)CCOC(=O)C=C(C)C	0.899	0.011	0.49	0.784	0.438	0.054	0.99	1.0	0.954	0.966	0.926
Compound_51	CC(CC(=O)OCCC(=C)C)C	0.666	0.031	0.693	0.65	0.178	0.002	0.973	0.924	0.504	0.999	0.95
Compound_52	CC(=CCOCCc1ccccc1)C	0.727	0.324	0.854	0.598	0.075	0.343	0.99	0.953	0.915	0.993	0.807
Compound_53	CC(=CCOC(=O)c1ccccc1O)C	0.529	0.481	0.808	0.666	0.3	0.098	0.041	0.985	0.145	0.836	0.66
Compound_54	OCC(C(=C)C)CC=C(C)C	0.593	0.112	0.063	0.601	0.113	0.02	0.266	0.708	0.353	0.174	0.943
Compound_55	CC(OCCc1ccccc1)C	0.556	0.125	0.671	0.539	0.045	0.113	0.978	0.817	0.916	0.584	0.493
Compound_56	CC(OC(=O)c1ccccc1)C	0.563	0.124	0.877	0.616	0.046	0.112	0.955	0.086	0.874	0.659	0.164
Compound_57	CC(C1CC2=C(CC1C(C2)C(=O)C)C)C	0.988	0.487	0.28	0.534	0.118	0.05	0.046	0.655	0.454	0.999	0.725
Compound_58	CCCC(=O)OC(C)C	0.736	0.029	0.214	0.566	0.044	0.009	0.993	0.187	0.692	0.829	0.703
Compound_59	CC(OC(=O)C=Cc1ccccc1)C	0.97	0.223	0.814	0.691	0.208	0.35	0.975	0.981	0.675	0.984	0.294
Compound_60	Cc1ccc(c(c1)C(C)C)O	0.505	0.067	0.821	0.698	0.262	0.796	0.074	0.726	0.637	0.978	0.339
Compound_61	OCCC1=CC=C(CC1)C(C)C	0.963	0.234	0.549	0.571	0.173	0.145	0.42	0.479	0.219	0.191	0.621
Compound_62	O=CCC1CCC(CC1)C(C)C	0.967	0.074	0.142	0.467	0.072	0.219	0.969	0.476	0.534	0.991	0.56
Compound_63	OCC1CCC(CC1)C(C)C	0.92	0.081	0.038	0.497	0.111	0.045	0.869	0.044	0.292	0.045	0.171
Compound_64	CC(C1CCC(CC1)O)C	0.915	0.161	0.03	0.479	0.117	0.065	0.753	0.237	0.327	0.808	0.148
Compound_65	OC(=O)C1CCC(=CC1)C(C)C	0.819	0.219	0.209	0.33	0.28	0.02	0.262	0.745	0.038	0.844	0.443
Compound_66	OCCC1CCC(CC1)C(C)C	0.919	0.099	0.1	0.485	0.088	0.05	0.844	0.116	0.229	0.104	0.205
Compound_67	CCC(=O)OC1CCC(CC1)C(C)C	0.922	0.195	0.038	0.547	0.192	0.042	0.886	0.541	0.241	0.997	0.523
Compound_68	CC(C1OCOCC1(C)C)C	0.79	0.162	0.29	0.492	0.054	0.048	0.904	0.336	0.445	0.962	0.528
Compound_69	CCCCCC(=O)OC(C)C	0.746	0.024	0.232	0.583	0.059	0.022	0.973	0.133	0.516	0.974	0.776
Compound_70	CC(=O)OC1(C)CCC(=C(C)C)CC1	0.902	0.32	0.377	0.552	0.162	0.025	0.768	0.974	0.813	1.0	0.635
Compound_71	CC(C1Cc2c(C1=O)cccc2)C	0.616	0.407	0.803	0.466	0.063	0.29	0.199	0.106	0.633	0.93	0.774
Compound_72	CC(CC(=O)OC(C)C)C	0.736	0.022	0.618	0.482	0.081	0.008	0.931	0.612	0.73	0.778	0.638
Compound_73	COc1nccnc1C(C)C	0.238	0.31	0.713	0.389	0.072	0.114	0.004	0.166	0.724	0.654	0.298
Compound_74	COc1cc(ccc1C)C(C)C	0.408	0.086	0.743	0.582	0.089	0.11	0.085	0.086	0.526	0.984	0.5
Compound_75	COc1ccc(cc1C(C)C)C	0.349	0.086	0.801	0.651	0.099	0.726	0.076	0.029	0.763	0.984	0.5
Compound_76	COc1cc(C)ccc1C(C)C	0.309	0.086	0.802	0.637	0.089	0.11	0.085	0.067	0.86	0.984	0.5
Compound_77	O=CC1CC2=C(CC1C(C2)C(C)C)C	0.983	0.404	0.268	0.52	0.254	0.538	0.54	0.797	0.605	0.999	0.732
Compound_78	O=CC1CC2(CCC1(C)C=C2)C(C)C	0.982	0.323	0.277	0.669	0.615	0.743	0.387	0.875	0.563	0.999	0.626
Compound_79	O=CC1CC2(C)CCC1(C=C2)C(C)C	0.985	0.323	0.277	0.676	0.615	0.743	0.387	0.899	0.563	0.999	0.626
Compound_80	O=CC1CC2C=C(C1CC2C(C)C)C	0.983	0.359	0.375	0.528	0.218	0.239	0.496	0.996	0.589	0.999	0.965
Compound_81	N#CC1CC2CC(C1C=C2C)C(C)C	0.995	0.37	0.225	0.538	0.708	0.113	0.17	0.91	0.758	0.983	0.921
Compound_82	CC1=CC2CC(C1CC2C(C)C)C1OCCO1	0.976	0.653	0.301	0.543	0.548	0.584	0.533	0.987	0.352	0.994	0.935
Compound_83	CC(C(C(=O)c1ccccc1)C(C)C)C	0.89	0.094	0.597	0.534	0.043	0.115	0.398	0.106	0.594	0.986	0.459
Compound_84	O=CC(=Cc1ccc(cc1)C(C)C)C	0.926	0.384	0.62	0.556	0.084	0.423	0.881	0.921	0.89	0.998	0.919
Compound_85	CC1=CC[C@@H](C=C1)C(C)C	0.884	0.313	0.471	0.607	0.217	0.033	0.604	0.941	0.931	0.995	0.748
Compound_86	OCC(C1CCC(CC1)C(C)C)C	0.919	0.094	0.038	0.458	0.088	0.05	0.844	0.044	0.3	0.03	0.234
Compound_87	CC(C1CCC(C(=O)C1)C)C	0.976	0.147	0.112	0.46	0.059	0.02	0.606	0.577	0.405	0.997	0.418
Compound_88	CC(=O)OC1(C)CCC(CC1)C(C)C	0.92	0.238	0.014	0.529	0.247	0.067	0.776	0.862	0.657	0.99	0.208
Compound_89	CC=C(C(=O)OC1CC(C)CCC1C(C)C)C	0.986	0.389	0.211	0.563	0.601	0.04	0.665	0.943	0.685	1.0	0.649
Compound_90	O=CC(=CCC(C)C)C(C)C	0.882	0.039	0.855	0.562	0.14	0.088	0.916	0.982	0.732	0.999	0.969
Compound_91	OC/C(=C/CC(C)C)/C(C)C	0.701	0.105	0.512	0.559	0.178	0.022	0.157	0.364	0.33	0.228	0.907
Compound_92	CC(=O)OCC(C(C)C)CC=C(C)C	0.847	0.048	0.148	0.705	0.256	0.008	0.96	0.948	0.831	0.989	0.981
Compound_93	CC(CC=C(C(C)C)COC(=O)C)C	0.942	0.022	0.852	0.69	0.391	0.03	0.981	0.995	0.806	0.997	0.956
Compound_94	CC1CCC(OC(=O)C1)C(C)C	0.905	0.227	0.042	0.423	0.252	0.024	0.985	0.625	0.172	0.997	0.427
Compound_95	Cc1cc(oc(=O)c1)C(C)C	0.843	0.396	0.243	0.498	0.241	0.124	0.829	0.255	0.712	0.987	0.725
Compound_96	CC(CC(=O)SC(C)C)C	0.676	0.062	0.618	0.482	0.209	0.011	0.958	0.612	0.245	0.968	0.845
Compound_97	CC(SC(=O)C=C(C)C)C	0.701	0.096	0.632	0.614	0.346	0.014	0.987	0.999	0.379	0.999	0.988
Compound_98	O=C1CCC2C(C1)CCC(C2)C(C)C	0.979	0.511	0.121	0.431	0.131	0.062	0.195	0.435	0.388	0.997	0.742
Compound_99	CCCCCCCC(=O)OC(C)C	0.894	0.021	0.232	0.583	0.072	0.022	0.997	0.133	0.794	0.999	0.833
Compound_100	CC([C@@H]1CCC2(CC1)CCC(=O)O2)C	0.871	0.539	0.027	0.556	0.191	0.082	0.908	0.821	0.28	0.987	0.648
Compound_101	CC(c1ccc(cc1)O)C	0.844	0.09	0.6	0.58	0.542	0.643	0.847	0.781	0.378	0.414	0.083
Compound_102	O=CCc1ccc(cc1)C(C)C	0.475	0.093	0.526	0.499	0.03	0.153	0.948	0.36	0.813	0.827	0.404
Compound_103	CC(OC(=O)Cc1ccccc1)C	0.319	0.09	0.438	0.522	0.04	0.026	0.985	0.823	0.58	0.305	0.174
Compound_104	O=CC(c1ccc(cc1)C(C)C)C	0.482	0.104	0.647	0.507	0.041	0.184	0.834	0.09	0.812	0.979	0.457
Compound_105	CC(c1ccnc2c1cccc2)C	0.449	0.519	0.726	0.573	0.107	0.104	0.057	0.192	0.877	0.664	0.877
Compound_106	CC(c1ccc2c(c1)cccn2)C	0.528	0.519	0.673	0.559	0.147	0.11	0.233	0.479	0.861	0.664	0.877
Compound_107	CC(C1OC(C)(C)OCC1(C)C)C	0.832	0.169	0.201	0.493	0.077	0.06	0.904	0.358	0.557	0.839	0.357
Compound_108	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(=C)C	0.944	0.389	0.084	0.51	0.349	0.01	0.905	0.893	0.651	1.0	0.674
Compound_109	O=COC1CC(C)CCC1C(=C)C	0.927	0.405	0.192	0.546	0.23	0.044	0.901	0.938	0.535	1.0	0.633
Compound_110	CC(CCCCCCCCCCOC(=O)C)C	0.943	0.012	0.615	0.654	0.124	0.027	0.995	0.647	0.449	0.98	0.799
Compound_111	CCC=CCC1=C(C)CCC1=O	0.986	0.26	0.586	0.537	0.363	0.033	0.906	0.898	0.747	1.0	0.985
Compound_112	CCCCCC1COCCC1OC(=O)C	0.961	0.361	0.047	0.543	0.086	0.017	0.964	0.319	0.881	0.956	0.378
Compound_113	CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C	0.926	0.487	0.672	0.483	0.332	0.047	0.833	0.438	0.275	0.998	0.7
Compound_114	CCCCCCCCCCC(=O)CCC	0.979	0.019	0.315	0.548	0.048	0.024	0.991	0.667	0.693	1.0	0.929
Compound_115	O=C1OC23CCCC(C3CC1(C)CC2)(C)C	0.855	0.589	0.081	0.52	0.359	0.202	0.517	0.886	0.35	0.998	0.157
Compound_116	CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C	0.936	0.403	0.375	0.64	0.366	0.098	0.74	0.999	0.904	0.998	0.812
Compound_117	CCCCCCCCCCCC(OC)OC	0.958	0.041	0.286	0.546	0.055	0.078	0.997	0.978	0.817	0.996	0.881
Compound_118	CCCCCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.706	0.141	0.061	0.998	0.861	0.94	0.998	0.912
Compound_119	CCCCCCCCCCCCOC(=O)C(O)C	0.857	0.037	0.037	0.704	0.087	0.113	0.88	0.51	0.466	0.759	0.625
Compound_120	CC(=O)OCC(C(=C)C)CC=C(C)C	0.732	0.043	0.241	0.751	0.272	0.014	0.984	0.999	0.864	0.991	0.973
Compound_121	CC(=O)CCC(=O)O	0.357	0.024	0.083	0.106	0.059	0.012	0.876	0.085	0.455	0.02	0.044
Compound_122	CC(=CCCC(C1CO1)(O)C)C	0.803	0.413	0.063	0.605	0.559	0.144	0.56	0.886	0.661	0.45	0.848
Compound_123	C=CC1(C)CCC(O1)C(O)(C)C	0.953	0.344	0.016	0.612	0.733	0.42	0.926	0.979	0.399	0.235	0.629
Compound_124	C=CC(OC(=O)c1ccccc1N)(CCC=C(C)C)C	0.594	0.423	0.485	0.656	0.269	0.415	0.655	0.994	0.611	0.155	0.611
Compound_125	C=CC(OC(=O)c1ccccc1)(CCC=C(C)C)C	0.841	0.107	0.374	0.674	0.116	0.173	0.919	0.997	0.604	0.979	0.577
Compound_126	CCCC(=O)OC(CCC=C(C)C)(C=C)C	0.896	0.048	0.286	0.687	0.409	0.028	0.676	0.999	0.389	0.999	0.941
Compound_127	C=CC(OC(=O)C=Cc1ccccc1)(CCC=C(C)C)C	0.965	0.107	0.416	0.738	0.376	0.485	0.974	0.999	0.488	0.979	0.577
Compound_128	O=COC(CCC=C(C)C)(C=C)C	0.909	0.022	0.234	0.632	0.296	0.192	0.866	0.999	0.629	0.989	0.871
Compound_129	C=CC(OC(=O)C(C)C)(CCC=C(C)C)C	0.912	0.022	0.193	0.695	0.447	0.032	0.677	1.0	0.175	0.989	0.871
Compound_130	COC(CCC=C(C)C)(C=C)C	0.914	0.088	0.223	0.561	0.204	0.061	0.579	0.995	0.672	0.931	0.94
Compound_131	C=CC(OC(=O)Cc1ccccc1)(CCC=C(C)C)C	0.601	0.169	0.392	0.661	0.154	0.119	0.963	1.0	0.392	0.996	0.683
Compound_132	CCC(=O)OC(CCC=C(C)C)(C=C)C	0.912	0.048	0.334	0.671	0.43	0.037	0.714	1.0	0.22	0.999	0.941
Compound_133	CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O	0.912	0.038	0.104	0.102	0.484	0.018	0.989	0.066	0.048	0.975	0.239
Compound_134	C=C1C2CCC3C1(C)CCCC(C23)(C)C	0.992	0.432	0.18	0.553	0.469	0.067	0.487	0.968	0.59	0.998	0.768
Compound_135	COC1(C)CCCCCCCCCCC1	0.968	0.156	0.046	0.504	0.051	0.034	0.933	0.949	0.589	0.952	0.459
Compound_136	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_137	OC1CC2CC1C1C2CCC1	0.928	0.348	0.053	0.46	0.592	0.737	0.198	0.248	0.321	0.922	0.135
Compound_138	CC(=O)OCC1CC2C(C1)C1CC2CC1	0.943	0.304	0.062	0.582	0.544	0.767	0.792	0.194	0.581	0.995	0.587
Compound_139	CC(=O)OC1CC2CC1C1C2CCC1	0.943	0.457	0.043	0.508	0.636	0.733	0.418	0.287	0.576	0.996	0.321
Compound_140	CC(=O)OCC1CCC2C1C1CCC2C1	0.943	0.304	0.043	0.53	0.544	0.767	0.792	0.025	0.589	0.995	0.587
Compound_141	O=COCC1CCC2C1C1CCC2C1	0.94	0.288	0.048	0.394	0.51	0.789	0.479	0.033	0.498	0.993	0.724
Compound_142	O=COCC1CC2C(C1)C1CC2CC1	0.94	0.288	0.069	0.449	0.51	0.789	0.479	0.267	0.486	0.993	0.724
Compound_143	O=CC1CCC2C1C1CCC2C1	0.972	0.428	0.15	0.45	0.386	0.781	0.372	0.736	0.369	0.999	0.745
Compound_144	CC([C@@H]1CCC(=C)C=C1)C	0.979	0.319	0.705	0.626	0.273	0.056	0.746	0.988	0.871	0.982	0.782
Compound_145	CC1CCC(CC1)C(OC(=O)C)(C)C	0.925	0.105	0.036	0.423	0.222	0.025	0.8	0.756	0.656	0.99	0.249
Compound_146	CCC(=O)C1CC(CC=C1C)C(C)C	0.988	0.279	0.23	0.505	0.158	0.016	0.152	0.894	0.173	1.0	0.969
Compound_147	O=CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.933	0.216	0.165	0.469	0.122	0.077	0.796	0.329	0.528	0.994	0.182
Compound_148	CC1CCC(C(C1)OC(=O)Cc1ccccc1)C(C)C	0.568	0.408	0.079	0.467	0.221	0.16	0.548	0.536	0.4	0.99	0.201
Compound_149	CC1CCC(C(=O)C1)C(S)(C)C	0.845	0.166	0.068	0.42	0.117	0.098	0.8	0.551	0.572	0.98	0.278
Compound_150	COCCCC=C1CCCCC1	0.922	0.254	0.798	0.617	0.132	0.041	0.959	0.9	0.696	0.95	0.848
Compound_151	COc1ccc(cc1)C=CC=O	0.943	0.309	0.859	0.805	0.218	0.859	0.83	0.577	0.962	0.959	0.428
Compound_152	O=C/C=C/c1ccccc1OC	0.745	0.424	0.859	0.7	0.092	0.355	0.647	0.731	0.923	0.976	0.687
Compound_153	O=CCC(CCCC(OC)(C)C)C	0.906	0.044	0.031	0.394	0.077	0.217	0.97	0.601	0.285	0.957	0.828
Compound_154	COc1cc(C)cc(c1)O	0.848	0.148	0.906	0.698	0.465	0.03	0.76	0.105	0.843	0.09	0.198
Compound_155	COc1cc(C)ccc1O	0.716	0.091	0.778	0.691	0.415	0.066	0.833	0.037	0.646	0.876	0.4
Compound_156	COC1CCCCCCCCCCC1	0.965	0.115	0.089	0.423	0.058	0.046	0.995	0.697	0.478	0.976	0.472
Compound_157	O=CC(CCCC(OC)(C)C)C	0.845	0.027	0.037	0.448	0.058	0.222	0.893	0.521	0.271	0.335	0.741
Compound_158	COCC=C(CCC=C(C)C)C	0.788	0.093	0.781	0.463	0.18	0.054	0.903	0.908	0.731	0.96	0.966
Compound_159	COCCC(CCC=C(C)C)C	0.927	0.082	0.522	0.642	0.086	0.019	0.917	0.81	0.511	0.955	0.969
Compound_160	C=CC(CCCC(OC)(C)C)C	0.933	0.051	0.05	0.57	0.239	0.018	0.894	0.951	0.485	0.917	0.808
Compound_161	COC(OCCC(CCC=C(C)C)C)C	0.927	0.056	0.455	0.599	0.09	0.109	0.981	0.968	0.529	0.993	0.956
Compound_162	CCCC(CCOC)S	0.656	0.128	0.033	0.523	0.075	0.263	0.992	0.489	0.653	0.996	0.832
Compound_163	COc1ccc(cc1)CC(C=O)C	0.579	0.152	0.643	0.672	0.155	0.67	0.949	0.073	0.629	0.492	0.151
Compound_164	COC1CCc2c1cccc2	0.399	0.481	0.608	0.525	0.105	0.152	0.829	0.277	0.434	0.674	0.837
Compound_165	COC(C1CCC(=CC1)C)(C)C	0.921	0.114	0.384	0.473	0.12	0.031	0.496	0.346	0.627	0.976	0.876
Compound_166	COCc1ccc(c(c1)OC)O	0.617	0.133	0.534	0.668	0.607	0.023	0.793	0.051	0.529	0.796	0.258
Compound_167	COCCC(S)(C)C	0.505	0.164	0.134	0.483	0.048	0.097	0.99	0.468	0.738	0.565	0.624
Compound_168	COc1nccnc1C	0.362	0.265	0.826	0.469	0.07	0.084	0.002	0.198	0.884	0.501	0.412
Compound_169	COc1ccc(cc1)CCC(=O)C	0.681	0.205	0.501	0.688	0.106	0.529	0.98	0.387	0.556	0.224	0.2
Compound_170	COc1ccc(cc1)CC(C(=O)C)C	0.632	0.173	0.723	0.672	0.176	0.695	0.906	0.111	0.495	0.671	0.273
Compound_171	CC/C=C/CCOC(OC)CC	0.716	0.029	0.173	0.555	0.218	0.131	0.997	0.977	0.742	0.998	0.968
Compound_172	COC1=CC(C(C(C1)(C)C)C(=O)C)(C)C	0.863	0.415	0.478	0.577	0.251	0.081	0.462	0.653	0.428	0.979	0.654
Compound_173	CCCCCCC/C=C/CCCCOC	0.976	0.052	0.308	0.647	0.287	0.081	0.997	0.965	0.868	0.999	0.882
Compound_174	COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C	0.952	0.554	0.868	0.604	0.859	0.752	0.681	0.982	0.24	0.998	0.232
Compound_175	COC(=O)c1ccccc1NC(=O)C	0.296	0.425	0.777	0.471	0.058	0.225	0.628	0.05	0.72	0.053	0.104
Compound_176	C/C=C(\C(=O)OCC(=C)C)/C	0.925	0.054	0.365	0.722	0.436	0.054	0.997	1.0	0.916	0.994	0.948
Compound_177	COc1ccc(cc1)C(=O)OC	0.727	0.104	0.893	0.674	0.414	0.447	0.902	0.002	0.917	0.282	0.081
Compound_178	COC(=O)c1ccccc1OC	0.448	0.157	0.791	0.593	0.055	0.018	0.067	0.011	0.822	0.195	0.129
Compound_179	CC(CCC#N)CCc1ccccc1	0.928	0.195	0.204	0.506	0.38	0.11	0.908	0.832	0.632	0.818	0.705
Compound_180	O=CCC(CCc1ccccc1)C	0.754	0.096	0.274	0.467	0.048	0.181	0.982	0.587	0.554	0.97	0.366
Compound_181	COC(=O)c1ccccc1	0.821	0.141	0.634	0.57	0.032	0.075	0.991	0.008	0.897	0.582	0.148
Compound_182	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_183	O=CC(Cc1ccc2c(c1)OCO2)C	0.624	0.253	0.964	0.549	0.147	0.563	0.884	0.569	0.228	0.96	0.567
Compound_184	Cc1nc2c(o1)cccc2	0.115	0.538	0.988	0.553	0.426	0.538	0.11	0.899	0.931	0.929	0.829
Compound_185	CC(=O)OCc1ccc(cc1)C	0.472	0.164	0.726	0.572	0.08	0.077	0.983	0.91	0.785	0.508	0.306
Compound_186	CC(Cc1ccccc1)OC(=O)C	0.444	0.086	0.519	0.529	0.076	0.038	0.986	0.846	0.813	0.415	0.109
Compound_187	COC(=O)C1OC1(C)C1CC2CC1C=C2	0.944	0.353	0.024	0.635	0.812	0.166	0.691	0.997	0.178	0.577	0.717
Compound_188	CCC(S)(C)C	0.716	0.081	0.121	0.493	0.066	0.049	0.984	0.192	0.765	0.999	0.625
Compound_189	C/C(=C\C)/CO	0.789	0.138	0.248	0.552	0.101	0.008	0.5	0.91	0.458	0.304	0.919
Compound_190	C/C=C(/COC(=O)/C(=C/C)/C)\C	0.92	0.054	0.661	0.717	0.51	0.051	0.99	0.997	0.917	0.991	0.954
Compound_191	CCCC(=O)OCC(CC)C	0.709	0.014	0.111	0.636	0.081	0.01	0.982	0.447	0.466	0.997	0.9
Compound_192	CCC(COC(=O)CC(C)C)C	0.709	0.009	0.553	0.581	0.081	0.01	0.982	0.75	0.576	0.948	0.874
Compound_193	CCCC(=O)OC	0.687	0.004	0.27	0.594	0.03	0.004	0.997	0.91	0.407	0.527	0.777
Compound_194	N#CC(=Cc1ccccc1)C	0.907	0.55	0.684	0.629	0.315	0.052	0.983	0.974	0.796	0.971	0.893
Compound_195	CC(/C=C/c1ccccc1)O	0.684	0.196	0.265	0.651	0.056	0.121	0.599	0.73	0.679	0.795	0.234
Compound_196	O=CC(Cc1ccc(cc1)C)C	0.682	0.11	0.568	0.543	0.033	0.244	0.985	0.229	0.699	0.957	0.262
Compound_197	O=C1C(C)CCCC1=O	0.921	0.156	0.055	0.491	0.024	0.014	0.954	0.295	0.179	0.961	0.472
Compound_198	CC(=O)OCCC(=C)C1CCC(=CC1)C	0.944	0.195	0.665	0.709	0.355	0.065	0.956	0.99	0.85	0.999	0.804
Compound_199	O=CCCC(=C1CCC(=CC1)C)C	0.882	0.194	0.724	0.52	0.118	0.204	0.966	0.96	0.813	0.999	0.813
Compound_200	CC1=CCC(CC1)C(CC1CCCC1=O)C	0.992	0.277	0.461	0.56	0.183	0.051	0.085	0.483	0.241	0.999	0.826
Compound_201	CC(C1CCCCC1)OC(=O)C	0.938	0.078	0.17	0.517	0.146	0.035	0.989	0.537	0.829	0.992	0.282
Compound_202	COC(=O)C1CCCCCCC1	0.912	0.065	0.247	0.501	0.053	0.006	0.987	0.971	0.26	0.983	0.461
Compound_203	CC1CCCCCCCCCCCCC(C1)O	0.928	0.141	0.056	0.471	0.087	0.108	0.97	0.365	0.312	0.803	0.173
Compound_204	CC1CCCCCCCCCCCCC(=O)C1	0.979	0.127	0.23	0.43	0.061	0.025	0.993	0.553	0.352	0.999	0.766
Compound_205	OC1=C(C)CCC1=O	0.679	0.342	0.302	0.54	0.048	0.029	0.642	0.642	0.203	0.581	0.376
Compound_206	CC1CCCCCCCCCCC(=O)C1	0.979	0.119	0.23	0.43	0.043	0.014	0.963	0.553	0.352	0.999	0.468
Compound_207	CCCCCCC1(C)CCC(=O)O1	0.882	0.477	0.11	0.614	0.094	0.047	0.949	0.923	0.359	0.995	0.876
Compound_208	CCCCCCCCC(C#N)C	0.997	0.127	0.17	0.532	0.376	0.08	0.844	0.914	0.836	0.999	0.941
Compound_209	CCCCCCCCCC(OC(=O)C)C	0.943	0.021	0.072	0.575	0.137	0.044	0.997	0.597	0.895	0.999	0.843
Compound_210	CCCCCCCCCC=Nc1ccccc1C(=O)OC	0.719	0.473	0.441	0.588	0.29	0.214	0.62	0.255	0.808	0.519	0.46
Compound_211	COC(=O)c1c(C)cc(c(c1O)C)O	0.745	0.202	0.878	0.505	0.776	0.953	0.702	0.156	0.824	0.225	0.248
Compound_212	COC(=O)c1ccccc1NC=C1CCC(=CC1C)C	0.256	0.563	0.613	0.508	0.18	0.397	0.055	0.772	0.699	0.04	0.664
Compound_213	COC(=O)C=C(CCC=C(C)C)C	0.826	0.002	0.715	0.586	0.368	0.054	0.988	0.993	0.949	0.981	0.919
Compound_214	COC(=O)c1ccccc1N=CCC(CCC=C(C)C)C	0.679	0.454	0.659	0.602	0.249	0.17	0.6	0.817	0.645	0.329	0.581
Compound_215	CC1CCOC2(O1)CCCCC2	0.862	0.5	0.172	0.478	0.084	0.137	0.974	0.883	0.42	0.888	0.781
Compound_216	CCCCCCCCCCC(C=O)C	0.972	0.03	0.272	0.546	0.055	0.188	0.993	0.602	0.772	1.0	0.926
Compound_217	CCCCCCCCCC(CC#N)C	0.997	0.098	0.082	0.477	0.381	0.084	0.844	0.81	0.839	0.99	0.936
Compound_218	CCCCCCCCCCCC=Nc1ccccc1C(=O)OC	0.719	0.473	0.441	0.588	0.29	0.214	0.62	0.255	0.808	0.519	0.46
Compound_219	C=C(c1ccccc1)CCOC(=O)C	0.903	0.285	0.174	0.669	0.092	0.058	0.998	0.843	0.909	0.933	0.79
Compound_220	CCCCC1CC(=C)CC(O1)C	0.941	0.214	0.082	0.577	0.101	0.015	0.936	0.99	0.649	0.997	0.879
Compound_221	CCC(C(=O)OC)C(=O)C	0.709	0.028	0.199	0.516	0.054	0.022	0.949	0.605	0.437	0.337	0.875
Compound_222	O=CNc1ccccc1C(=O)OC	0.476	0.365	0.909	0.581	0.066	0.263	0.138	0.113	0.733	0.112	0.168
Compound_223	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_224	Sc1ccoc1C	0.58	0.34	0.396	0.432	0.135	0.472	0.922	0.907	0.904	0.998	0.88
Compound_225	Cc1ccc(o1)C=O	0.431	0.152	0.691	0.56	0.001	0.059	0.94	0.943	0.827	0.944	0.66
Compound_226	COC(=O)c1ccco1	0.227	0.137	0.278	0.455	0.017	0.039	0.945	0.601	0.628	0.64	0.398
Compound_227	C/C(=C\COc1ccc2c(c1)oc(=O)cc2C)/CCC=C(C)C	0.382	0.634	0.938	0.648	0.852	0.454	0.92	0.921	0.902	0.976	0.868
Compound_228	CC(=C/C=C/C(=O)C)C	0.954	0.1	0.892	0.674	0.161	0.051	0.801	0.989	0.969	1.0	0.986
Compound_229	CCCCCCC(=O)OC	0.804	0.0	0.291	0.616	0.043	0.008	0.992	0.93	0.27	0.994	0.862
Compound_230	CCC(CC(=NO)CC)C	0.87	0.156	0.571	0.443	0.123	0.205	0.749	0.588	0.481	0.985	0.873
Compound_231	CC(CCC=C(C)C)O	0.685	0.083	0.125	0.57	0.099	0.015	0.079	0.909	0.157	0.348	0.832
Compound_232	OCC/C=C/CC(C)C	0.778	0.188	0.463	0.55	0.206	0.028	0.779	0.126	0.243	0.773	0.647
Compound_233	CC=CC(=O)C(CC)C	0.918	0.097	0.514	0.603	0.174	0.012	0.811	0.623	0.786	1.0	0.904
Compound_234	CCC/C=C/C(=O)OC	0.94	0.026	0.261	0.607	0.409	0.061	0.999	0.996	0.946	0.985	0.802
Compound_235	CCCCCCC(C=O)C	0.967	0.03	0.272	0.546	0.055	0.188	0.993	0.602	0.688	1.0	0.926
Compound_236	CCCCCCOC	0.879	0.064	0.286	0.598	0.024	0.038	0.99	0.957	0.802	0.997	0.861
Compound_237	O=CC(c1ccc(cc1)C)C	0.516	0.137	0.72	0.498	0.03	0.153	0.948	0.093	0.735	0.968	0.383
Compound_238	COC(=O)c1ccccc1N=CC1CCC(=CC1)CCCC(O)(C)C	0.783	0.669	0.235	0.565	0.53	0.632	0.047	0.83	0.534	0.033	0.55
Compound_239	CC(=O)C=CC1=C(C)CCC(C1(C)C)C	0.998	0.202	0.588	0.704	0.489	0.544	0.088	0.858	0.941	0.998	0.759
Compound_240	CC(=O)C=C[C@H]1C(=CC[C@H](C1(C)C)C)C	0.948	0.262	0.274	0.599	0.396	0.153	0.069	0.921	0.942	0.999	0.823
Compound_241	CC=Cc1ccc(c(c1)OC)OC	0.833	0.277	0.904	0.774	0.126	0.167	0.901	0.576	0.659	0.969	0.729
Compound_242	CC(C1CCC(CC1)(C)O)C	0.902	0.245	0.031	0.485	0.165	0.067	0.598	0.203	0.309	0.88	0.313
Compound_243	COC(=O)C1CC2(CCC1(C)C=C2)C(C)C	0.946	0.358	0.299	0.628	0.64	0.156	0.256	0.988	0.296	0.994	0.435
Compound_244	COC(=O)CC(C)C	0.687	0.007	0.687	0.523	0.025	0.002	0.989	0.951	0.436	0.388	0.658
Compound_245	CCCCCC=CCC=CCCCCCCCC(=O)OC	0.937	0.006	0.474	0.632	0.35	0.052	1.0	0.987	0.289	1.0	0.914
Compound_246	CCC(C(=O)OC)C	0.687	0.01	0.676	0.528	0.025	0.002	0.989	0.811	0.511	0.886	0.76
Compound_247	COC(=O)C1(C)CCC=CC1	0.777	0.133	0.261	0.604	0.3	0.058	0.982	0.996	0.493	0.996	0.447
Compound_248	CCCC(=O)OC(C1CCC(=CC1)C)(C)C	0.866	0.186	0.488	0.588	0.259	0.016	0.477	0.84	0.382	1.0	0.86
Compound_249	CC(=CCC=C(C1CCC(=CC1)C)C)C	0.922	0.159	0.597	0.54	0.195	0.03	0.94	0.836	0.909	0.994	0.679
Compound_250	O=CCC(=C)CCC=C(C)C	0.87	0.063	0.512	0.571	0.086	0.092	0.962	0.995	0.69	0.998	0.977
Compound_251	CC1C2CC3CC1C(C(C2)C3=C)O	0.958	0.457	0.068	0.454	0.623	0.178	0.309	0.785	0.354	0.994	0.863
Compound_252	CC1CCC(C(=O)C1)C(SC(=O)C)(C)C	0.898	0.278	0.025	0.42	0.284	0.038	0.9	0.907	0.272	0.991	0.67
Compound_253	O=CC1(C)CCC=C(C1)CCC=C(C)C	0.958	0.131	0.74	0.634	0.179	0.32	0.965	0.983	0.689	0.999	0.79
Compound_254	O=CC1(C)CCC(=CC1)CCC=C(C)C	0.971	0.131	0.74	0.639	0.209	0.404	0.95	0.983	0.659	0.999	0.79
Compound_255	CCCC(C=Nc1ccccc1C(=O)OC)C	0.563	0.592	0.31	0.567	0.188	0.139	0.43	0.076	0.606	0.213	0.356
Compound_256	CC/C(=C/C(C=C(C)C)CC(=O)C)/C	0.9	0.059	0.294	0.618	0.078	0.002	0.353	0.969	0.626	1.0	0.981
Compound_257	CCC(C1CCCCC1(C)OC(=O)C)C	0.93	0.36	0.039	0.564	0.17	0.018	0.932	0.899	0.775	0.998	0.583
Compound_258	COC(=O)c1ccc(c(c1O)C)O	0.697	0.184	0.317	0.544	0.79	0.859	0.319	0.019	0.785	0.113	0.108
Compound_259	COC(=O)c1ccc(cc1O)C	0.567	0.163	0.684	0.523	0.255	0.192	0.023	0.1	0.158	0.073	0.107
Compound_260	CSc1nccnc1C	0.259	0.464	0.826	0.469	0.29	0.219	0.113	0.198	0.821	0.251	0.696
Compound_261	COC(=O)C1OC1(C)C=CC1C(=CCCC1(C)C)C	0.916	0.392	0.313	0.571	0.797	0.333	0.878	0.999	0.617	0.691	0.632
Compound_262	CCCCCCCCCC(C=Nc1ccccc1C(=O)OC)C	0.719	0.492	0.31	0.561	0.321	0.206	0.489	0.082	0.765	0.824	0.5
Compound_263	COC(=O)CCC(C)C	0.641	0.012	0.732	0.54	0.018	0.002	0.99	0.832	0.188	0.251	0.617
Compound_264	CC(=C)C1CCC(CC1)(C)O	0.926	0.158	0.061	0.511	0.258	0.046	0.157	0.857	0.412	0.905	0.855
Compound_265	CC(=C)C1(C)CCCCC1O	0.958	0.335	0.096	0.637	0.196	0.045	0.623	0.966	0.314	0.923	0.819
Compound_266	CC(=O)OC1(C)CCC(CC1)C(=C)C	0.932	0.3	0.065	0.559	0.401	0.04	0.725	0.988	0.753	1.0	0.732
Compound_267	CC(=O)c1cccc2c1cccc2	0.958	0.758	0.906	0.615	0.059	0.323	0.558	0.876	0.813	0.996	0.97
Compound_268	COC(=O)c1ccccc1NC	0.425	0.342	0.933	0.492	0.078	0.122	0.163	0.048	0.705	0.066	0.361
Compound_269	CCCCCC=CCC(=O)OC	0.905	0.006	0.522	0.646	0.371	0.019	0.997	0.997	0.665	1.0	0.914
Compound_270	CCCCCCC=CC(=O)OC	0.989	0.011	0.281	0.613	0.683	0.213	0.999	0.997	0.978	1.0	0.903
Compound_271	CCC=CCC=CCC=CCCCCCCCC(=O)OC	0.941	0.009	0.352	0.593	0.35	0.052	1.0	0.981	0.251	0.999	0.94
Compound_272	CC(=O)OC([C@@H]1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C)(C)C	0.962	0.479	0.194	0.477	0.68	0.039	0.84	0.768	0.566	1.0	0.402
Compound_273	CC1CC(=O)OC1CCCC	0.888	0.434	0.037	0.591	0.09	0.047	0.987	0.506	0.412	0.998	0.717
Compound_274	CCCCCC(C(COC(=O)C)C)OC(=O)C	0.94	0.011	0.025	0.659	0.098	0.019	0.995	0.377	0.78	0.936	0.93
Compound_275	CCCCCC(CC)(O)C	0.902	0.099	0.061	0.57	0.08	0.038	0.746	0.689	0.364	0.98	0.724
Compound_276	CCCCCCC(O)(C)C	0.909	0.095	0.061	0.562	0.079	0.024	0.814	0.652	0.631	0.977	0.722
Compound_277	CCCCCC(C=C)(O)C	0.906	0.084	0.084	0.616	0.413	0.063	0.582	0.97	0.503	0.91	0.766
Compound_278	CCCCCC(OC(=O)C)(C=C)C	0.95	0.039	0.092	0.704	0.582	0.114	0.761	0.999	0.834	0.999	0.855
Compound_279	CCCCCCC#CC(=O)OC	0.875	0.099	0.485	0.582	0.141	0.837	0.997	0.984	0.793	0.994	0.685
Compound_280	CCCCCCCCC(C=O)C	0.972	0.03	0.272	0.546	0.055	0.188	0.993	0.602	0.772	1.0	0.926
Compound_281	CCCCCC(OC(=O)C)(CC)C	0.92	0.046	0.049	0.61	0.129	0.037	0.885	0.987	0.557	0.999	0.862
Compound_282	CCCCCCCC/C=C/CCCCCCCC(=O)OC	0.967	0.006	0.522	0.637	0.35	0.052	1.0	0.987	0.351	1.0	0.914
Compound_283	CC1(O)CCOC2(C1)CCCCC2	0.905	0.716	0.032	0.479	0.188	0.173	0.882	0.441	0.573	0.553	0.456
Compound_284	CC1C=COC2(C1)CCCCC2	0.906	0.512	0.083	0.635	0.5	0.308	0.716	0.795	0.553	0.995	0.766
Compound_285	CC/C=C/CC1C(CCC1=O)CC(=O)OC	0.919	0.382	0.206	0.54	0.035	0.013	0.515	0.972	0.334	0.997	0.921
Compound_286	CCC(=O)Oc1c(C)occc1=O	0.715	0.341	0.09	0.505	0.179	0.523	0.999	0.184	0.336	0.577	0.329
Compound_287	O=C(C(C)C)Oc1c(C)occc1=O	0.71	0.406	0.176	0.474	0.153	0.459	0.997	0.203	0.309	0.505	0.405
Compound_288	CCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_289	CC(C(=O)C(=O)C)C	0.884	0.094	0.188	0.5	0.022	0.004	0.959	0.138	0.101	0.867	0.928
Compound_290	OCCC(CC)C	0.695	0.063	0.132	0.436	0.02	0.014	0.952	0.059	0.212	0.698	0.624
Compound_291	[O-]C(=O)C(=CCC)C	0.856	0.122	0.104	0.372	0.154	0.003	0.984	0.928	0.729	0.995	0.99
Compound_292	CC(C(=O)O)/C=C/C	0.548	0.051	0.306	0.246	0.212	0.002	0.963	0.579	0.241	0.75	0.66
Compound_293	CC/C=C(/COC(=O)C)\C	0.909	0.064	0.367	0.7	0.339	0.048	0.995	0.996	0.904	0.998	0.974
Compound_294	O=CC1CCC=C(C1)CCC=C(C)C	0.963	0.234	0.642	0.614	0.124	0.182	0.939	0.966	0.699	0.999	0.873
Compound_295	CC(=O)OC[C@H]1CCC=C(C1)CCC=C(C)C	0.948	0.254	0.485	0.717	0.343	0.054	0.964	0.933	0.844	0.998	0.833
Compound_296	CCC(CCOC(=O)C(=CC)C)C	0.953	0.023	0.379	0.713	0.472	0.039	0.982	0.986	0.888	0.997	0.967
Compound_297	CCCC(COC(=O)C(CCC)C)C	0.7	0.016	0.535	0.628	0.061	0.01	0.983	0.445	0.52	0.997	0.887
Compound_298	O=CCOc1ccc(cc1)C	0.485	0.106	0.681	0.562	0.077	0.49	0.679	0.928	0.634	0.576	0.345
Compound_299	OCCOc1ccc(cc1)C	0.313	0.106	0.561	0.588	0.271	0.444	0.359	0.674	0.192	0.31	0.065
Compound_300	OC(C(C)C)Cc1ccccc1	0.107	0.111	0.09	0.504	0.045	0.076	0.587	0.476	0.239	0.125	0.079
Compound_301	OC1COC(OC1)c1ccc(cc1)C	0.099	0.536	0.231	0.541	0.032	0.4	0.044	0.006	0.35	0.205	0.053
Compound_302	CC1COC(O1)C(c1ccccc1)C	0.36	0.183	0.632	0.493	0.054	0.316	0.902	0.638	0.342	0.852	0.302
Compound_303	CC1CC(=CC(O1)c1ccccc1)C	0.575	0.63	0.844	0.677	0.097	0.488	0.906	0.971	0.511	0.773	0.604
Compound_304	CC1=CC(C)OC(C1)c1ccccc1	0.594	0.619	0.513	0.648	0.097	0.488	0.906	0.92	0.527	0.741	0.688
Compound_305	O=CC(=CCC(C)C)c1ccccc1	0.839	0.352	0.877	0.599	0.058	0.311	0.985	0.749	0.79	0.994	0.776
Compound_306	CCCCCCC(=Cc1ccccc1)C=Nc1ccccc1C(=O)OC	0.698	0.649	0.616	0.602	0.557	0.581	0.888	0.671	0.805	0.98	0.815
Compound_307	N#CCC(CCc1ccccc1)C	0.882	0.191	0.096	0.501	0.318	0.085	0.949	0.727	0.637	0.648	0.655
Compound_308	OC(Cc1ccccc1)CC(C)C	0.204	0.08	0.494	0.515	0.045	0.076	0.587	0.387	0.252	0.162	0.073
Compound_309	CC(=O)CC(c1ccccc1)(C)C	0.886	0.099	0.484	0.582	0.058	0.06	0.288	0.098	0.645	0.943	0.367
Compound_310	O=CC(=CC(C)C)c1ccccc1	0.805	0.443	0.695	0.613	0.045	0.273	0.995	0.856	0.863	0.996	0.891
Compound_311	N#CC=C(CCc1ccccc1)C	0.863	0.383	0.51	0.638	0.224	0.067	0.987	0.929	0.852	0.888	0.827
Compound_312	COC(=O)CCc1ccccc1	0.643	0.11	0.68	0.594	0.036	0.017	0.998	0.951	0.464	0.094	0.196
Compound_313	CCC(=O)OC	0.743	0.022	0.292	0.603	0.038	0.006	0.996	0.978	0.291	0.554	0.81
Compound_314	CCCC1CC(=CC(=O)C1)C	0.981	0.256	0.397	0.699	0.091	0.029	0.287	0.961	0.68	1.0	0.908
Compound_315	CCCC(=O)C(=O)C	0.914	0.02	0.124	0.524	0.027	0.013	0.983	0.351	0.241	0.873	0.908
Compound_316	CCC(C1CCCCC1(C=C)OC(=O)C)C	0.981	0.365	0.022	0.692	0.703	0.077	0.888	0.997	0.836	1.0	0.603
Compound_317	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_318	Cc1ccnc2c1cccc2	0.661	0.563	0.929	0.551	0.104	0.098	0.039	0.681	0.957	0.926	0.905
Compound_319	Cc1ccc2c(c1)cccn2	0.725	0.563	0.927	0.555	0.156	0.149	0.124	0.768	0.958	0.926	0.905
Compound_320	CC1OCC2(CO1)CC1CC2CC1	0.952	0.458	0.166	0.419	0.248	0.197	0.451	0.812	0.384	0.955	0.785
Compound_321	COC1=NCCCCC1	0.498	0.298	0.343	0.546	0.112	0.231	0.399	0.879	0.473	0.186	0.331
Compound_322	Cc1ncsc1CCO	0.436	0.434	0.868	0.415	0.041	0.623	0.533	0.088	0.264	0.002	0.701
Compound_323	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_324	COC(=O)C(=CC)C	0.922	0.077	0.665	0.664	0.217	0.01	0.992	1.0	0.904	0.995	0.982
Compound_325	CC1=CCCC(=CC/C=C(\C(CC1)C(=O)C)/C)C	0.923	0.194	0.571	0.533	0.112	0.008	0.98	0.729	0.504	1.0	0.506
Compound_326	O=CC(=CCC1=C(C)CCCC1(C)C)C	0.988	0.182	0.752	0.627	0.369	0.55	0.987	0.978	0.942	0.999	0.787
Compound_327	O=CC(=CCC1C(=CCCC1(C)C)C)C	0.975	0.182	0.553	0.587	0.268	0.298	0.786	0.988	0.901	0.999	0.787
Compound_328	O=CC(C=CC1C(=CCCC1(C)C)C)C	0.948	0.201	0.609	0.615	0.278	0.26	0.708	0.99	0.9	0.996	0.747
Compound_329	CC1=CC(C(C(C1)C=C(C(=O)C)C)C)C	0.954	0.295	0.653	0.585	0.161	0.041	0.066	0.764	0.885	0.999	0.817
Compound_330	CC1CC(CC(C1)O)CC1CC=C(C1(C)C)C	0.98	0.563	0.12	0.511	0.658	0.098	0.273	0.966	0.412	0.913	0.816
Compound_331	COC(=O)c1ccccc1N=CCC(CC(C)(C)C)C	0.626	0.484	0.283	0.506	0.337	0.255	0.6	0.071	0.62	0.011	0.357
Compound_332	CCCCCCCCCC(C(OC)OC)C	0.958	0.044	0.272	0.512	0.05	0.053	0.992	0.888	0.762	0.997	0.864
Compound_333	CCCCCCCCCC(CO)C	0.928	0.041	0.076	0.56	0.061	0.037	0.923	0.11	0.522	0.826	0.666
Compound_334	CC=CCCCCCCCC(=O)OC	0.958	0.009	0.522	0.586	0.276	0.011	0.995	0.989	0.252	0.998	0.873
Compound_335	CCCCC(=O)OC	0.641	0.004	0.291	0.616	0.024	0.004	0.996	0.93	0.373	0.527	0.777
Compound_336	COC(=O)c1ccc(c(c1)OC)O	0.653	0.125	0.844	0.64	0.698	0.051	0.871	0.006	0.267	0.369	0.094
Compound_337	CC(=O)OCC1=CCC(CC1)C(=C)C	0.952	0.256	0.631	0.688	0.468	0.103	0.909	0.997	0.842	0.999	0.873
Compound_338	CCC(=O)OCC(CC1=C(C)CCC1C(=C)C)(C)C	0.953	0.416	0.52	0.698	0.732	0.063	0.958	0.847	0.233	1.0	0.969
Compound_339	O=C1CCCCCCCCCOCCCCCO1	0.886	0.163	0.189	0.73	0.167	0.045	0.989	0.819	0.188	0.96	0.76
Compound_340	CCCCCCCCCCOC	0.965	0.064	0.286	0.598	0.059	0.063	0.996	0.957	0.825	0.997	0.861
Compound_341	C=CC(=C)CCCC(OC(=O)C)(C)C	0.888	0.022	0.65	0.635	0.385	0.029	0.607	0.999	0.781	0.989	0.871
Compound_342	CCCCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_343	OCC1=CCC2CC1C2(C)C	0.955	0.424	0.159	0.464	0.729	0.61	0.158	0.531	0.403	0.516	0.871
Compound_344	CC(=O)OCC1=CCC2CC1C2(C)C	0.981	0.48	0.396	0.606	0.843	0.61	0.375	0.994	0.652	0.999	0.877
Compound_345	CCC(C1OCC=CCO1)CC	0.887	0.153	0.178	0.551	0.512	0.237	0.989	0.983	0.697	1.0	0.885
Compound_346	C=C[C@@](OC(=O)C)(CCC=C(CCC=C(C)C)C)C	0.892	0.058	0.579	0.634	0.581	0.088	0.966	0.997	0.822	1.0	0.918
Compound_347	CC(=CC1OCC=C(C1)C)C	0.796	0.24	0.199	0.486	0.239	0.129	0.592	0.933	0.679	0.946	0.758
Compound_348	O=CC(C=C(CCC=C(C)C)C)O	0.314	0.107	0.187	0.518	0.115	0.258	0.142	0.845	0.531	0.65	0.795
Compound_349	CC(CC(=O)OCC=C(CCC=C(C)C)C)C	0.774	0.021	0.937	0.584	0.336	0.018	0.973	0.979	0.483	0.999	0.94
Compound_350	CCCCCCCC(=O)N(CC)CC	0.848	0.126	0.251	0.54	0.009	0.214	0.05	0.155	0.278	0.957	0.538
Compound_351	CCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_352	CCCCC=CC=CC=O	0.922	0.099	0.403	0.61	0.259	0.563	0.999	0.979	0.971	0.999	0.858
Compound_353	CCC=CCCC=CC=O	0.812	0.082	0.166	0.544	0.258	0.366	0.999	0.9	0.932	1.0	0.884
Compound_354	CCC=CCCC=CC(OCC)OCC	0.813	0.091	0.322	0.558	0.333	0.277	0.997	0.959	0.556	1.0	0.941
Compound_355	CC/C=C/CCC=CCO	0.355	0.064	0.05	0.508	0.364	0.071	0.648	0.253	0.601	0.944	0.808
Compound_356	OCCC=CCC=CCC	0.702	0.071	0.059	0.52	0.241	0.042	0.832	0.144	0.343	0.981	0.79
Compound_357	CC/C=C/CCC=CCOC(=O)C	0.842	0.017	0.16	0.575	0.642	0.117	0.998	0.983	0.935	1.0	0.954
Compound_358	CCCCC1CCCC(=O)O1	0.91	0.261	0.104	0.58	0.088	0.035	0.993	0.13	0.11	0.988	0.129
Compound_359	CCCCCCCCC=Nc1ccccc1C(=O)OC	0.719	0.473	0.441	0.588	0.29	0.214	0.62	0.255	0.808	0.519	0.46
Compound_360	CCCCCCCCC(OC(=O)C)OC(=O)C	0.946	-0.001	0.214	0.583	0.085	0.091	0.993	0.99	0.815	0.957	0.888
Compound_361	CCCCCCC(CC)O	0.929	0.036	0.059	0.562	0.067	0.044	0.92	0.61	0.465	0.972	0.523
Compound_362	CCCCCCC(=O)CC	0.98	0.019	0.315	0.548	0.048	0.024	0.991	0.667	0.206	1.0	0.929
Compound_363	CCCCCCC=CC=O	0.979	0.052	0.268	0.599	0.354	0.499	0.999	0.956	0.989	1.0	0.87
Compound_364	O=CCCCCC=CCC	0.923	0.076	0.181	0.545	0.178	0.173	0.995	0.91	0.76	1.0	0.889
Compound_365	CCCCCCC=CC#N	0.983	0.161	0.16	0.599	0.563	0.043	0.995	0.963	0.997	0.999	0.866
Compound_366	CCCCCCC(C=C)O	0.965	0.042	0.305	0.626	0.446	0.062	0.905	0.968	0.535	0.991	0.681
Compound_367	OCCCCCC=CCC	0.909	0.099	0.078	0.538	0.204	0.067	0.881	0.444	0.115	0.958	0.659
Compound_368	CCC/C=C/CCC(=O)C	0.895	0.039	0.255	0.599	0.181	0.007	0.891	0.456	0.639	1.0	0.939
Compound_369	CC/C=C/CCCCCOC(=O)C	0.929	0.013	0.157	0.697	0.431	0.061	0.997	0.985	0.885	1.0	0.962
Compound_370	CCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.706	0.141	0.061	0.998	0.861	0.94	0.998	0.912
Compound_371	CCCCCCCCCC(=CC)C=O	0.991	0.083	0.773	0.645	0.149	0.208	0.994	0.971	0.893	1.0	0.983
Compound_372	CCCCCCC#CC(OC)OC	0.897	0.164	0.286	0.502	0.08	0.829	0.998	0.982	0.727	0.997	0.707
Compound_373	O=C1CC(C)C2(C(=C1)CCC(C2)C(=C)C)C	0.999	0.758	0.199	0.818	0.34	0.098	0.051	0.935	0.388	1.0	0.581
Compound_374	C=CC(=CCC=C(C)C)C	0.915	0.064	0.505	0.615	0.195	0.018	0.943	0.995	0.871	0.997	0.955
Compound_375	C/C=C(/C=C/C=C(C)C)\C	0.94	0.078	0.936	0.673	0.195	0.018	0.943	0.993	0.948	0.999	0.959
Compound_376	C=CC(=CCCC(O)(C)C)C	0.692	0.12	0.104	0.566	0.186	0.042	0.076	0.977	0.488	0.459	0.881
Compound_377	CC(=CC=CC(=C)C(O)C)C	0.879	0.135	0.604	0.632	0.246	0.083	0.073	0.991	0.607	0.954	0.962
Compound_378	C=CC(=CCCC(OC(=O)C)(C)C)C	0.787	0.022	0.286	0.633	0.341	0.043	0.695	1.0	0.824	0.989	0.871
Compound_379	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_380	C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(O)(C)C	0.957	0.504	0.219	0.499	0.475	0.026	0.464	0.339	0.275	0.911	0.651
Compound_381	CC(=C)C1CCC2=CCCC(C2(C1)C)C	0.999	0.521	0.269	0.743	0.5	0.068	0.424	0.925	0.835	1.0	0.62
Compound_382	O=CC1CCC2=C(C1)C(C)(C)CCC2	0.984	0.547	0.543	0.586	0.356	0.693	0.782	0.875	0.716	0.999	0.585
Compound_383	O=CC1CCC2C(=CCCC2(C)C)C1	0.981	0.547	0.819	0.683	0.317	0.344	0.348	0.975	0.712	0.999	0.585
Compound_384	O=CC1CCC2=C(C1)CCCC2(C)C	0.981	0.547	0.543	0.586	0.356	0.693	0.782	0.875	0.701	0.999	0.585
Compound_385	N#CC1CCC2=C(C1)C(C)(C)CCC2	0.99	0.487	0.436	0.586	0.804	0.541	0.292	0.963	0.806	0.813	0.71
Compound_386	CC1CCCC2(C1(O)CCCC2)C	0.917	0.787	0.147	0.509	0.292	0.123	0.571	0.626	0.395	0.984	0.578
Compound_387	CC1CC2C3CCC(C2CC1=O)C3	0.979	0.645	0.112	0.458	0.185	0.1	0.091	0.574	0.368	0.999	0.622
Compound_388	O=C1CC[C@@H]2[C@@H](C1)CCCC2	0.979	0.497	0.135	0.468	0.165	0.086	0.628	0.707	0.47	1.0	0.828
Compound_389	C1CC2C(C1)C1CC2CC21OCCO2	0.958	0.299	0.106	0.461	0.696	0.709	0.571	0.38	0.387	0.979	0.743
Compound_390	C[C@@H]1CCC2C(C3=C(CC[C@H]13)C)C2(C)C	0.999	0.381	0.226	0.567	0.537	0.084	0.75	0.905	0.54	0.996	0.588
Compound_391	O=C1CC2(C)CCCC(C32C(C1C)C3)(C)C	0.979	0.569	0.086	0.444	0.351	0.114	0.209	0.161	0.406	0.999	0.487
Compound_392	CC1CCC2=C1CC1CCC2(C1(C)C)C	0.999	0.472	0.366	0.488	0.597	0.138	0.051	0.452	0.788	0.998	0.264
Compound_393	O=C1C[C@@H]2[C@@H]3[C@H]1C([C@@]2(C)CCCC3(C)C)C	0.979	0.592	0.21	0.519	0.343	0.101	0.216	0.29	0.272	0.998	0.463
Compound_394	OCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.928	0.5	0.025	0.396	0.671	0.273	0.124	0.132	0.306	0.275	0.346
Compound_395	CC(=O)OCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.943	0.558	0.039	0.508	0.758	0.235	0.34	0.501	0.566	0.982	0.366
Compound_396	O=COCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.94	0.558	0.043	0.413	0.65	0.354	0.251	0.143	0.495	0.982	0.366
Compound_397	C[C@H]1CCC2([C@@]3(C1CC(C2(C)C)CC3)C)O	0.917	0.748	0.042	0.536	0.641	0.446	0.497	0.442	0.416	0.992	0.488
Compound_398	CC(=O)C1(C)CC2C(=CCCC2(C)C)CC1C	0.993	0.605	0.653	0.641	0.412	0.123	0.043	0.793	0.439	1.0	0.444
Compound_399	O=COC1C(C)CCC2(C1(C)CCC=C2C)C	0.945	0.664	0.397	0.748	0.483	0.23	0.031	0.993	0.61	1.0	0.733
Compound_400	CC12CCC3(CC1)C1(C2)OC1CCC3(C)C	0.953	0.459	0.018	0.496	0.836	0.704	0.252	0.843	0.674	0.998	0.678
Compound_401	CC1(O)CCC2C(=CCCC2(C)C)C1	0.98	0.698	0.298	0.626	0.606	0.231	0.139	0.96	0.553	0.995	0.595
Compound_402	CC1(O)CCC2C(=C1)CCCC2(C)C	0.964	0.718	0.483	0.64	0.729	0.196	0.766	0.958	0.535	0.987	0.506
Compound_403	CC1(O)CCC2C3(C1)OC3CCC2(C)C	0.889	0.751	0.009	0.495	0.867	0.505	0.519	0.522	0.552	0.979	0.611
Compound_404	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]1([C@H](C3)C2(C)C)CO1	0.968	0.394	0.025	0.468	0.713	0.383	0.151	0.228	0.422	0.988	0.695
Compound_405	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_406	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_407	CCCCCCCC(OC)OC	0.953	0.041	0.286	0.546	0.055	0.078	0.997	0.978	0.747	0.996	0.881
Compound_408	CCCCCCCC=Nc1ccccc1C(=O)OC	0.708	0.473	0.441	0.588	0.29	0.214	0.62	0.255	0.778	0.519	0.46
Compound_409	CCCCCCCC1OCCO1	0.949	0.27	0.218	0.578	0.09	0.219	0.999	0.938	0.396	0.999	0.804
Compound_410	CCCCCC(CC)O	0.915	0.036	0.059	0.562	0.066	0.06	0.908	0.61	0.342	0.972	0.523
Compound_411	CCCCCC=CC=O	0.959	0.058	0.268	0.599	0.28	0.477	1.0	0.956	0.964	1.0	0.865
Compound_412	CCC=CCCC(=O)C	0.905	0.024	0.171	0.538	0.139	0.006	0.981	0.388	0.624	1.0	0.951
Compound_413	CCCCCCCCOC(=O)C	0.937	0.003	0.182	0.706	0.141	0.061	0.998	0.861	0.94	0.998	0.912
Compound_414	CCCCCCCC(OC(=O)C)COC(=O)C	0.958	0.011	0.072	0.71	0.193	0.073	0.995	0.271	0.89	0.968	0.899
Compound_415	CCCCCCCCOC(=O)C=CC	0.994	0.009	0.234	0.786	0.775	0.238	0.999	0.994	0.972	1.0	0.942
Compound_416	CCCCCCCCOC(=O)CCC	0.899	0.003	0.251	0.736	0.107	0.03	0.997	0.649	0.647	0.998	0.912
Compound_417	CCCCCCCCOC=O	0.933	0.025	0.24	0.606	0.093	0.189	0.998	0.815	0.884	0.999	0.83
Compound_418	CCCCCCCCOC(=O)C(C)C	0.924	0.012	0.144	0.713	0.101	0.026	0.995	0.746	0.356	0.996	0.89
Compound_419	CCCCCCCCOC(=O)c1ccccc1O	0.795	0.381	0.151	0.661	0.449	0.194	0.246	0.4	0.415	0.877	0.786
Compound_420	O=C1CCCCCCCC=CCCCCCCO1	0.964	0.174	0.467	0.736	0.528	0.106	0.999	0.975	0.271	0.998	0.828
Compound_421	O=C1CCCCCCCCOCCCCCCO1	0.87	0.163	0.189	0.73	0.099	0.065	0.989	0.819	0.207	0.96	0.76
Compound_422	CC(=O)CCc1ccc(cc1)OC(=O)C	0.661	0.146	0.359	0.672	0.294	0.135	0.936	0.726	0.529	0.117	0.083
Compound_423	CCCCCCCCC=CCCCCCCCCOCCO	0.976	0.385	0.075	0.628	0.619	0.839	0.993	0.926	0.463	0.948	0.654
Compound_424	CC(C(CC1C(C)CCCC1(C)C)C)O	0.928	0.203	0.121	0.545	0.186	0.054	0.699	0.662	0.339	0.94	0.372
Compound_425	CC1=C(C(=O)C)C(C(C1)(C)C)(C)C	0.977	0.337	0.435	0.514	0.258	0.068	0.201	0.885	0.547	0.999	0.965
Compound_426	CC(=O)C(=C(C(C(C)(C)C)C)C)C	0.92	0.105	0.388	0.465	0.094	0.012	0.167	0.519	0.918	1.0	0.979
Compound_427	CCC(=O)C(=O)C	0.891	0.044	0.124	0.485	0.029	0.008	0.99	0.307	0.086	0.907	0.935
Compound_428	CCC=CCO	0.699	0.085	0.05	0.517	0.187	0.031	0.916	0.218	0.619	0.93	0.813
Compound_429	CCC(C=C)O	0.756	0.089	0.284	0.597	0.217	0.016	0.877	0.946	0.396	0.861	0.636
Compound_430	OCC1=CCC(CC1)C(=C)C	0.87	0.298	0.193	0.566	0.258	0.094	0.215	0.783	0.378	0.135	0.785
Compound_431	O=CC1=CCC(CC1)C(=C)C	0.939	0.297	0.614	0.64	0.112	0.312	0.972	0.993	0.746	1.0	0.917
Compound_432	O=C(c1ccccc1N)OCCc1ccccc1	0.161	0.737	0.949	0.575	0.463	0.909	0.999	0.036	0.764	0.072	0.779
Compound_433	O=C(c1ccccc1)OCCc1ccccc1	0.307	0.77	0.835	0.621	0.248	0.827	0.999	0.019	0.95	0.285	0.806
Compound_434	CCCC(=O)OCCc1ccccc1	0.463	0.088	0.402	0.692	0.085	0.042	0.991	0.711	0.744	0.995	0.611
Compound_435	OCCCc1ccccc1	0.512	0.117	0.201	0.51	0.042	0.153	0.996	0.339	0.096	0.046	0.11
Compound_436	O=C(/C=C/c1ccccc1)OCCc1ccccc1	0.882	0.793	0.794	0.834	0.71	0.947	0.999	0.95	0.95	0.79	0.846
Compound_437	C/C=C/C(=O)OCCc1ccccc1	0.796	0.21	0.864	0.74	0.185	0.333	0.999	0.966	0.995	0.874	0.402
Compound_438	CCC(C(=O)OCCc1ccccc1)CC	0.526	0.128	0.246	0.644	0.089	0.042	0.984	0.517	0.8	0.925	0.641
Compound_439	O=COCCc1ccccc1	0.414	0.157	0.676	0.569	0.059	0.255	0.999	0.354	0.918	0.136	0.544
Compound_440	O=C(C(C)C)OCCc1ccccc1	0.408	0.118	0.457	0.647	0.097	0.055	0.987	0.398	0.396	0.116	0.266
Compound_441	S=C=NCCc1ccccc1	0.279	0.257	0.766	0.523	0.021	0.898	0.872	0.295	0.697	0.968	0.918
Compound_442	CC(CC(=O)OCCc1ccccc1)C	0.463	0.101	0.857	0.652	0.089	0.042	0.984	0.887	0.733	0.962	0.282
Compound_443	CC(=C)C(=O)OCCc1ccccc1	0.626	0.325	0.414	0.686	0.155	0.22	0.999	0.939	0.925	0.933	0.748
Compound_444	CCC(CCc1ccccc1)(O)C	0.766	0.17	0.214	0.545	0.079	0.077	0.528	0.367	0.309	0.678	0.518
Compound_445	CCC(OC(=O)C)(CCc1ccccc1)C	0.841	0.155	0.065	0.612	0.162	0.055	0.831	0.955	0.488	0.945	0.531
Compound_446	O=C(C(C)(C)C)OCCc1ccccc1	0.34	0.188	0.59	0.607	0.123	0.096	0.995	0.726	0.553	0.13	0.314
Compound_447	O=C(c1ccccc1O)OCCc1ccccc1	0.331	0.599	0.467	0.658	0.71	0.616	0.993	0.064	0.489	0.137	0.563
Compound_448	CC=C(C(=O)OCCc1ccccc1)C	0.674	0.299	0.884	0.75	0.211	0.308	0.996	0.997	0.969	0.907	0.726
Compound_449	O=CCOc1ccccc1	0.535	0.114	0.751	0.567	0.091	0.206	0.97	0.808	0.832	0.454	0.647
Compound_450	CCC(=O)OCCOc1ccccc1	0.297	0.17	0.676	0.79	0.319	0.022	0.875	0.927	0.353	0.992	0.416
Compound_451	O=CCc1ccccc1	0.537	0.119	0.654	0.522	0.036	0.252	1.0	0.532	0.854	0.948	0.638
Compound_452	CCOC(Cc1ccccc1)OCC	0.424	0.115	0.795	0.551	0.036	0.405	0.996	0.566	0.354	0.997	0.685
Compound_453	CC(=CCO[C@@H](Cc1ccccc1)OC/C=C(/CCC=C(C)C)\C)CCC=C(C)C	0.674	0.259	0.918	0.536	0.082	0.842	0.999	0.972	0.656	0.998	0.747
Compound_454	CC(CCC=C(C)C)CCOC(Cc1ccccc1)OCCC(CCC=C(C)C)C	0.759	0.259	0.739	0.629	0.056	0.71	0.999	0.974	0.459	0.998	0.747
Compound_455	CC(CCOC(Cc1ccccc1)OCCC(C)C)C	0.483	0.156	0.903	0.55	0.058	0.499	0.998	0.371	0.067	0.99	0.346
Compound_456	C1COC(O1)Cc1ccccc1	0.376	0.179	0.721	0.569	0.044	0.536	0.999	0.454	0.358	0.971	0.522
Compound_457	OC1COC(OC1)Cc1ccccc1	0.195	0.544	0.165	0.531	0.033	0.461	0.155	0.343	0.283	0.286	0.148
Compound_458	OCC1COC(O1)Cc1ccccc1	0.196	0.199	0.295	0.482	0.032	0.404	0.69	0.504	0.274	0.353	0.171
Compound_459	CC1OC(Cc2ccccc2)OC(C1)(C)C	0.521	0.558	0.094	0.524	0.035	0.363	0.769	0.863	0.561	0.875	0.365
Compound_460	CC1OC(OC(C1C)C)Cc1ccccc1	0.514	0.504	0.654	0.499	0.031	0.352	0.836	0.517	0.449	0.693	0.248
Compound_461	O/N=C/Cc1ccccc1	0.653	0.369	0.807	0.527	0.068	0.607	0.674	0.7	0.562	0.799	0.659
Compound_462	COc1ccccc1c1ccccc1	0.92	0.635	0.902	0.742	0.13	0.309	0.652	0.912	0.857	0.912	0.762
Compound_463	O=CCOCCc1ccccc1	0.519	0.172	0.368	0.433	0.022	0.414	1.0	0.307	0.899	0.9	0.761
Compound_464	c1ccc(cc1)CC(n1ccc2c1cccc2)n1ccc2c1cccc2	0.199	0.611	0.947	0.628	0.85	0.94	0.991	0.81	0.853	0.858	0.543
Compound_465	c1ccc(cc1)CCc1ccccn1	0.092	0.543	0.586	0.499	0.088	0.727	0.001	0.707	0.812	0.409	0.696
Compound_466	CC(c1ccccc1)/C=C/C(=O)C	0.646	0.201	0.814	0.659	0.062	0.081	0.385	0.374	0.792	0.997	0.515
Compound_467	C/C(=C/CC(=O)C)/c1ccccc1	0.934	0.275	0.41	0.574	0.031	0.044	0.952	0.608	0.714	0.988	0.765
Compound_468	OCCCCCc1ccccc1	0.683	0.131	0.201	0.54	0.064	0.209	0.92	0.484	0.088	0.364	0.145
Compound_469	CCCC(Cc1ccccc1)O	0.204	0.104	0.098	0.534	0.042	0.075	0.501	0.497	0.493	0.743	0.121
Compound_470	CC(=COC(=O)C)c1ccccc1	0.885	0.476	0.6	0.558	0.103	0.12	0.998	0.82	0.967	0.99	0.75
Compound_471	CCC(c1ccccc1)OC(=O)C	0.3	0.084	0.501	0.559	0.09	0.054	0.976	0.947	0.747	0.523	0.339
Compound_472	c1ccc(cc1)CCCc1ccccn1	0.09	0.543	0.52	0.529	0.088	0.727	0.001	0.499	0.818	0.409	0.696
Compound_473	c1ccc(cc1)CCCc1ccncc1	0.17	0.606	0.311	0.541	0.056	0.577	0.003	0.023	0.818	0.892	0.589
Compound_474	C1COC(C1)CCCc1ccccc1	0.877	0.198	0.176	0.509	0.099	0.203	0.988	0.483	0.382	0.989	0.671
Compound_475	CC(C(O)(C)C)(O)C	0.608	0.134	0.132	0.473	0.063	0.01	0.932	0.119	0.52	0.437	0.713
Compound_476	CC1(O)CCC2CC1C2(C)C	0.917	0.674	0.079	0.428	0.571	0.599	0.261	0.347	0.347	0.99	0.564
Compound_477	CC1CCC(CCC1C(=O)C)(C)C	0.979	0.12	0.282	0.501	0.217	0.022	0.763	0.103	0.311	0.999	0.656
Compound_478	C=C1C(O)CC2CC1C2(C)C	0.961	0.579	0.097	0.511	0.799	0.591	0.445	0.901	0.415	0.992	0.819
Compound_479	CC(=O)OC1CC2CC(C1=C)C2(C)C	0.978	0.592	0.304	0.507	0.885	0.592	0.324	0.932	0.668	1.0	0.805
Compound_480	CC(=O)OCc1ccc2c(c1)OCO2	0.582	0.28	0.962	0.588	0.335	0.188	0.974	0.922	0.321	0.986	0.867
Compound_481	CC(=O)CCc1ccc2c(c1)OCO2	0.725	0.32	0.957	0.558	0.098	0.513	0.974	0.876	0.378	0.896	0.669
Compound_482	O=C(c1ccccc1)OCC=C(C)C	0.563	0.365	0.961	0.66	0.049	0.129	0.993	0.975	0.824	0.974	0.812
Compound_483	C/C=C/c1cc(ccc1C)C(C)C	0.805	0.173	0.821	0.69	0.058	0.028	0.6	0.729	0.886	0.995	0.458
Compound_484	CCCOC(=O)c1ccccc1	0.49	0.135	0.669	0.637	0.049	0.129	0.993	0.037	0.471	0.361	0.402
Compound_485	CCCOC(=O)CCC	0.71	0.008	0.439	0.698	0.044	0.012	0.997	0.398	0.267	0.998	0.885
Compound_486	CCCOC(=O)c1cc(O)c(c(c1)O)O	0.759	0.223	0.946	0.643	0.905	0.158	0.462	0.899	0.434	0.852	0.367
Compound_487	CC/C=C/1\OC(=O)c2c1cccc2	0.7	0.254	0.513	0.629	0.081	0.091	0.993	0.786	0.566	0.995	0.51
Compound_488	CCCCCCCC(=O)OCCC	0.894	0.003	0.465	0.725	0.074	0.028	0.997	0.567	0.275	0.998	0.912
Compound_489	CCCOC(=O)Cc1ccccc1	0.279	0.088	0.48	0.642	0.042	0.033	0.998	0.481	0.354	0.995	0.611
Compound_490	CCCOC(=O)CC	0.74	0.006	0.466	0.713	0.055	0.017	0.997	0.678	0.233	0.997	0.894
Compound_491	CCCCC(=O)OCCC	0.693	0.005	0.465	0.725	0.078	0.02	0.994	0.567	0.297	0.998	0.901
Compound_492	C[C@@H]1CCC(=C(C)C)C(=O)C1	0.957	0.256	0.418	0.468	0.062	0.018	0.802	0.931	0.649	1.0	0.839
Compound_493	OC(=O)C(=O)C	0.487	0.062	0.046	0.192	0.031	0.012	0.937	0.176	0.081	0.146	0.43
Compound_494	COc1cccc(c1)OC	0.894	0.12	0.83	0.68	0.351	0.017	0.974	0.045	0.621	0.606	0.226
Compound_495	OCC[C@H](CCCC(=C)C)C	0.951	0.174	0.357	0.473	0.134	0.014	0.673	0.764	0.159	0.436	0.895
Compound_496	CC(CCOC(=O)C)CCCC(=C)C	0.957	0.033	0.452	0.654	0.285	0.008	0.992	0.907	0.816	0.999	0.955
Compound_497	CCCC(=O)OCCC(CCCC(=C)C)C	0.934	0.043	0.452	0.678	0.228	0.004	0.99	0.799	0.418	1.0	0.973
Compound_498	O=COCCC(CCCC(=C)C)C	0.949	0.044	0.538	0.519	0.181	0.042	0.99	0.775	0.646	1.0	0.953
Compound_499	CC(CCOC(=O)C(C)C)CCCC(=C)C	0.95	0.021	0.452	0.663	0.245	0.005	0.992	0.928	0.202	0.999	0.952
Compound_500	CC(CCOC(=O)CC(C)C)CCCC(=C)C	0.934	0.021	0.865	0.642	0.228	0.004	0.99	0.89	0.503	0.999	0.952
Compound_501	CC(CCOC(=O)Cc1ccccc1)CCCC(=C)C	0.646	0.21	0.453	0.632	0.104	0.06	0.989	0.93	0.409	0.999	0.798
Compound_502	CCC(=O)OCCC(CCCC(=C)C)C	0.95	0.043	0.478	0.709	0.245	0.005	0.992	0.9	0.219	1.0	0.973
Compound_503	CC=CC(=O)C1C(=CCCC1(C)C)C	0.941	0.202	0.839	0.587	0.279	0.059	0.192	0.975	0.74	0.998	0.759
Compound_504	C/C=C/C(=O)C1=C(C)C=CCC1(C)C	0.913	0.306	0.626	0.59	0.276	0.267	0.394	0.817	0.889	0.999	0.824
Compound_505	C/C=C/C(=O)C1CCC(C=C1C)(C)C	0.94	0.202	0.714	0.632	0.348	0.094	0.54	0.932	0.725	0.998	0.759
Compound_506	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_507	O=Cc1ccccc1O	0.797	0.217	0.474	0.666	0.116	0.251	0.836	0.52	0.784	0.633	0.468
Compound_508	CC(=CCCC1(C)C2CCC(C1=C)C2)C	0.999	0.433	0.248	0.661	0.5	0.087	0.487	0.965	0.812	0.998	0.864
Compound_509	OC/C(=C\CCC1(C)C2CC3C1(C)C3C2)/C	0.978	0.649	0.081	0.587	0.745	0.337	0.058	0.626	0.446	0.706	0.834
Compound_510	OC/C(=C\CCC1(C)C2CCC(C1=C)C2)/C	0.983	0.554	0.09	0.636	0.631	0.289	0.143	0.787	0.392	0.501	0.911
Compound_511	CCCC(=O)OC/C(=C/CCC1(C)C2CC3C1(C)C3C2)/C	0.988	0.784	0.263	0.748	0.848	0.289	0.579	0.981	0.442	1.0	0.912
Compound_512	CCCC(=O)OC/C(=C/CCC1(C)C2CCC(C1=C)C2)/C	0.985	0.619	0.236	0.708	0.786	0.256	0.844	0.991	0.399	1.0	0.933
Compound_513	O=CC1CC2C(C1)C1CC2CC1OC	0.909	0.446	0.04	0.431	0.476	0.748	0.185	0.226	0.266	0.975	0.82
Compound_514	C=C[C@@](CC[C@H]1[C@](C)(O)CCC2[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_515	Cc1c[nH]c2c1cccc2	0.486	0.549	0.982	0.53	0.228	0.644	0.019	0.885	0.931	0.939	0.809
Compound_516	CCC(=O)OC(c1ccccc1)C	0.292	0.084	0.573	0.614	0.076	0.039	0.976	0.987	0.205	0.523	0.339
Compound_517	CC(=O)OC=Cc1ccccc1	0.831	0.219	0.671	0.596	0.076	0.082	0.995	0.958	0.976	0.99	0.256
Compound_518	O=CCc1ccc(cc1)C	0.526	0.111	0.698	0.532	0.03	0.245	0.998	0.607	0.772	0.94	0.39
Compound_519	CCCCC1COCC(C1OC(=O)C)C	0.957	0.336	0.074	0.529	0.086	0.017	0.964	0.348	0.86	0.959	0.37
Compound_520	CC1=CC=C(CC1)C(C)C	0.959	0.226	0.902	0.591	0.199	0.053	0.92	0.891	0.886	0.986	0.62
Compound_521	CC1=CCC(=CC1)C(C)C	0.887	0.241	0.579	0.604	0.157	0.011	0.681	0.913	0.842	0.996	0.699
Compound_522	CC1=CCC(CC1)(O)C(C)C	0.892	0.224	0.118	0.505	0.231	0.059	0.061	0.769	0.445	0.94	0.855
Compound_523	O=COC(C1CCC(=CC1)C)(C)C	0.892	0.167	0.398	0.554	0.188	0.112	0.546	0.649	0.595	1.0	0.676
Compound_524	CCC(=O)OC(C1CCC(=CC1)C)(C)C	0.885	0.186	0.545	0.592	0.276	0.021	0.52	0.908	0.229	1.0	0.86
Compound_525	Cc1ccc(cc1)OC1CCCCO1	0.692	0.479	0.457	0.648	0.33	0.823	0.639	0.649	0.511	0.947	0.35
Compound_526	C[C@@H]1CCc2c(C1)occ2C	0.56	0.336	0.215	0.483	0.009	0.178	0.819	0.508	0.787	0.988	0.825
Compound_527	CC1CCC2=C(C(=O)OC2C1)C	0.949	0.598	0.297	0.383	0.21	0.076	0.852	0.64	0.858	0.997	0.236
Compound_528	CCC(=O)C1CCC(c2c1cccc2)(C)C	0.695	0.462	0.321	0.552	0.11	0.192	0.038	0.158	0.119	1.0	0.917
Compound_529	O=CCC(CCCC(C)C)C	0.967	0.029	0.725	0.436	0.056	0.197	0.993	0.588	0.169	0.997	0.841
Compound_530	CC1CC(=O)c2c1c1c(cc2C)C(CC1(C)C)(C)C	0.641	0.412	0.287	0.535	0.112	0.374	0.124	0.476	0.761	0.97	0.741
Compound_531	O1COC2C(C1)Cc1c2cccc1	0.559	0.548	0.659	0.527	0.177	0.589	0.16	0.115	0.491	0.944	0.853
Compound_532	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_533	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_534	CC1OC(CC(=C)C1)c1ccccc1	0.678	0.572	0.506	0.57	0.068	0.226	0.651	0.959	0.375	0.915	0.693
Compound_535	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_536	CC1CCNc2c1cccc2	0.228	0.351	0.895	0.431	0.06	0.047	0.001	0.143	0.553	0.008	0.049
Compound_537	Cc1ccc2c(c1)CCCN2	0.247	0.339	0.963	0.338	0.089	0.227	0.003	0.233	0.926	0.006	0.047
Compound_538	CC(CCCC(C(=C)O)C)C	0.898	0.128	0.55	0.5	0.148	0.004	0.948	0.708	0.08	0.554	0.708
Compound_539	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_540	CCC(CCCC(OC(=O)C)(C)C)C	0.925	0.036	0.039	0.494	0.17	0.02	0.927	0.887	0.742	0.998	0.815
Compound_541	O=CCc1cccc2c1CCCC2	0.558	0.334	0.684	0.503	0.063	0.232	0.985	0.616	0.815	1.0	0.943
Compound_542	OCCC1CCCc2c1cccc2	0.76	0.208	0.267	0.503	0.159	0.219	0.768	0.063	0.082	0.933	0.715
Compound_543	OCCC1CCc2c(C1)cccc2	0.772	0.208	0.504	0.488	0.161	0.295	0.712	0.073	0.163	0.933	0.715
Compound_544	OC1CCCc2c1cccc2	0.386	0.457	0.558	0.412	0.13	0.084	0.946	0.091	0.229	0.794	0.281
Compound_545	O=Cc1ccc2c(c1)C(C)(C)C(CC2(C)C)C	0.865	0.386	0.05	0.579	0.177	0.666	0.948	0.141	0.961	0.984	0.814
Compound_546	CC/C=C/CC1CCCC(=O)O1	0.911	0.213	0.158	0.592	0.322	0.024	0.989	0.901	0.142	0.996	0.259
Compound_547	CCCCCC(C1CCCO1)OC(=O)C	0.935	0.258	0.059	0.562	0.308	0.047	0.998	0.438	0.848	0.994	0.801
Compound_548	C[C@@]1(O)[C@]2(C)CC[C@@H](C1(C)C)C2	0.909	0.549	0.087	0.417	0.542	0.109	0.047	0.493	0.402	0.849	0.291
Compound_549	O=CC(CC1=CCC2CC1C2(C)C)(C)C	0.983	0.407	0.584	0.516	0.524	0.618	0.518	0.982	0.474	1.0	0.866
Compound_550	CC(CCC1C(C)CCCC1(C)C)O	0.928	0.228	0.08	0.574	0.186	0.054	0.699	0.665	0.185	0.958	0.322
Compound_551	O=COC(C1CC=C(CC1(C)C)C)C	0.869	0.284	0.665	0.633	0.236	0.179	0.134	0.979	0.743	0.999	0.726
Compound_552	CC(CCC1=C(C)CCCC1(C)C)O	0.956	0.224	0.241	0.615	0.219	0.111	0.8	0.882	0.276	0.98	0.84
Compound_553	OCC(CCC1CC=C(C1(C)C)C)C	0.973	0.381	0.083	0.602	0.539	0.081	0.429	0.454	0.253	0.238	0.863
Compound_554	N#CC(C/C=C(/CCC=C(C)C)\C)(C)C	0.835	0.136	0.579	0.556	0.564	0.048	0.465	0.914	0.791	0.838	0.915
Compound_555	C[C@@H](CCCC(=CCOC(=O)C)C)CCC[C@@H](CCCC(C)C)C	0.994	0.042	0.948	0.581	0.64	0.309	0.999	0.969	0.463	0.999	0.935
Compound_556	O=CC(C(CC(C)(C)C)C)C	0.905	0.027	0.17	0.433	0.064	0.17	0.924	0.291	0.607	0.965	0.764
Compound_557	CC(C(=C)C(C(C)(C)C)C)C(=O)C	0.953	0.104	0.589	0.491	0.123	0.002	0.333	0.869	0.59	1.0	0.971
Compound_558	C=CC(=CCC(C(=O)C(C)C)(C)C)C	0.953	0.06	0.482	0.641	0.205	0.045	0.528	0.977	0.185	0.999	0.948
Compound_559	CC1CCC2(O1)C(=CCCC2(C)C)C	0.992	0.474	0.091	0.665	0.412	0.226	0.412	0.967	0.701	0.999	0.955
Compound_560	CC1CCC2OC2(CCC2C1CC2(C)C)C	0.953	0.232	0.012	0.557	0.722	0.643	0.962	0.397	0.322	0.997	0.847
Compound_561	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_562	CC([C@@]12CC[C@@]([C@@H]2C1)(C)O)C	0.902	0.599	0.063	0.459	0.648	0.35	0.122	0.514	0.4	0.623	0.286
Compound_563	CC(=O)Oc1cc(C)ccc1C(C)C	0.187	0.158	0.737	0.613	0.347	0.04	0.115	0.629	0.875	0.921	0.168
Compound_564	O=Cc1cccc(c1)C	0.835	0.149	0.697	0.538	0.022	0.288	0.989	0.145	0.867	0.988	0.391
Compound_565	O=Cc1ccccc1C	0.949	0.088	0.403	0.557	0.037	0.098	0.994	0.113	0.807	0.985	0.617
Compound_566	O=Cc1ccc(cc1)C	0.894	0.149	0.452	0.533	0.027	0.432	0.998	0.117	0.853	0.988	0.391
Compound_567	CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_568	CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.962	0.005	0.231	0.786	0.101	0.077	0.998	0.068	0.329	0.982	0.887
Compound_569	O=C1CC2CC1C1C2CCC1	0.979	0.604	0.126	0.47	0.336	0.727	0.251	0.757	0.29	0.999	0.74
Compound_570	O=CCCC=C1CC2CC1C1C2CCC1	0.993	0.519	0.36	0.562	0.509	0.765	0.667	0.944	0.612	1.0	0.929
Compound_571	C1=CC2C(C1)C1CC2C2C1C1C=CC2C1	1.0	0.415	0.267	0.462	0.74	0.639	0.597	0.183	0.44	1.0	0.727
Compound_572	CCCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_573	CCCCCCCCCCCC(=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_574	CCCCCCCCCCC=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_575	CCCCCCCCCCC=CC#N	0.999	0.161	0.16	0.599	0.684	0.062	0.985	0.963	1.012	0.999	0.866
Compound_576	Cc1ccc(cc1)C(O)(C)C	0.272	0.059	0.477	0.586	0.094	0.072	0.795	0.122	0.58	0.727	0.386
Compound_577	CC(C1C2CCC(C1(C)C)C2)O	0.928	0.407	0.047	0.412	0.376	0.112	0.383	0.349	0.333	0.89	0.515
Compound_578	CC1=CC(O)C2CC1C2(C)C	0.928	0.445	0.093	0.492	0.719	0.607	0.072	0.947	0.443	0.966	0.892
Compound_579	CC1=CC(=O)C2CC1C2(C)C	0.985	0.393	0.696	0.614	0.46	0.583	0.08	0.964	0.391	0.999	0.907
Compound_580	OCC1CC2C(C=C1C)C2(C)C	0.984	0.304	0.038	0.559	0.55	0.134	0.327	0.478	0.451	0.653	0.746
Compound_581	CC(=O)OCC1CC2C(C=C1C)C2(C)C	0.974	0.315	0.123	0.769	0.739	0.104	0.69	0.996	0.679	0.993	0.755
Compound_582	OCCO[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.909	0.639	0.016	0.44	0.647	0.279	0.372	0.63	0.134	0.633	0.406
Compound_583	CC(=O)CCC1=C(C)C=CCC1(C)C	0.974	0.185	0.674	0.648	0.258	0.2	0.774	0.869	0.622	1.0	0.825
Compound_584	CC1CC(CC(=O)O)CC(C1)(C)C	0.731	0.129	0.024	0.164	0.207	0.023	0.814	0.188	0.067	0.187	0.049
Compound_585	O=CCC1=C(C)CCCC1(C)C	0.981	0.186	0.659	0.589	0.142	0.33	0.981	0.974	0.743	0.999	0.817
Compound_586	O=CCC1C(=CCCC1(C)C)C	0.964	0.186	0.575	0.568	0.161	0.129	0.679	0.98	0.709	0.999	0.817
Compound_587	O=CC1C(=CCCC1(C)C)C	0.959	0.201	0.622	0.61	0.169	0.129	0.679	0.926	0.782	0.996	0.747
Compound_588	O=CC1CC(=CC(C1C)C)C	0.935	0.304	0.4	0.614	0.12	0.133	0.638	0.964	0.739	0.998	0.807
Compound_589	O=CC1=C(C)CCCC1(C)C	0.982	0.189	0.495	0.536	0.161	0.445	0.984	0.976	0.809	0.999	0.789
Compound_590	CC1=CC(O)CC(C1)(C)C	0.862	0.372	0.333	0.659	0.25	0.206	0.113	0.808	0.618	0.823	0.698
Compound_591	N#C/C=C/C1=C(C)CCCC1(C)C	0.999	0.223	0.661	0.662	0.753	0.349	0.789	0.969	0.99	0.688	0.783
Compound_592	CC(=O)CC(=O)C1=C(C)CCCC1(C)C	0.987	0.275	0.557	0.573	0.233	0.341	0.825	0.95	0.562	0.986	0.908
Compound_593	CC(=O)CCC1=C(C)CCCC1(C)C	0.989	0.185	0.63	0.561	0.126	0.056	0.842	0.882	0.575	1.0	0.825
Compound_594	CC(=O)C=CC1CC(=CC(C1C)C)C	0.954	0.295	0.342	0.612	0.262	0.091	0.068	0.875	0.945	0.999	0.817
Compound_595	CC1=CC(C)C(C(C1)C(=O)C)C	0.959	0.295	0.414	0.599	0.1	0.012	0.09	0.865	0.556	0.999	0.817
Compound_596	CCC(=O)CCC1C(=CCCC1(C)C)C	0.994	0.195	0.635	0.634	0.203	0.024	0.234	0.889	0.209	1.0	0.936
Compound_597	CCC(=O)/C=C/C1C(C)CC(=CC1C)C	0.966	0.324	0.414	0.615	0.227	0.065	0.075	0.806	0.384	0.999	0.867
Compound_598	CCC(=O)/C=C/C1CC(=CC(C1C)C)C	0.954	0.295	0.414	0.626	0.227	0.065	0.075	0.895	0.393	0.999	0.889
Compound_599	CC1CC(CC(=O)C2CCCC2=O)CC(C1)(C)C	0.97	0.407	0.156	0.378	0.261	0.345	0.908	0.499	0.262	0.889	0.663
Compound_600	CC(=O)OCC1C(C)CCC(C1C)C	0.937	0.149	0.114	0.615	0.183	0.038	0.922	0.533	0.788	0.97	0.295
Compound_601	CC1CC(C)C(C(C1)C)COC(=O)C	0.937	0.118	0.094	0.57	0.222	0.036	0.914	0.489	0.801	0.976	0.344
Compound_602	CC(=O)OC(C1CCCC(C1)(C)C)C	0.938	0.105	0.129	0.464	0.23	0.071	0.937	0.512	0.739	0.99	0.249
Compound_603	O=COC(C1CCCC(C1)(C)C)C	0.935	0.105	0.278	0.518	0.154	0.2	0.93	0.542	0.563	0.99	0.249
Compound_604	N#CCC1CC=C(C1(C)C)C	0.971	0.362	0.163	0.569	0.686	0.082	0.327	0.959	0.732	0.189	0.93
Compound_605	O=CC(C/C=C(/CCCC(=C)C)\C)C	0.965	0.046	0.698	0.578	0.118	0.081	0.979	0.926	0.722	1.0	0.969
Compound_606	CC/C(=C/C=C/C(CC(=O)C)(C)C)/C	0.864	0.084	0.82	0.607	0.174	0.03	0.418	0.966	0.712	0.999	0.967
Compound_607	CCC(=O)C(C(=O)C(CC=C(C)C)C)C	0.988	0.031	0.293	0.631	0.189	0.05	0.878	0.91	0.331	0.992	0.991
Compound_608	C=CC(=CCC=C(CCC=C(C=O)C)C)C	0.862	0.046	0.622	0.549	0.201	0.411	0.967	0.992	0.838	1.0	0.969
Compound_609	C=CC(=CCC=C(CCC=C(C)C)C)C	0.827	0.049	0.723	0.525	0.201	0.024	0.943	0.976	0.853	0.997	0.951
Compound_610	O=COCCC(CC(C)(C)C)C	0.824	0.025	0.17	0.397	0.113	0.199	0.963	0.08	0.604	0.735	0.691
Compound_611	CCC(=O)OCCC(CC(C)C)(C)C	0.807	0.011	0.667	0.652	0.144	0.046	0.957	0.791	0.208	0.993	0.857
Compound_612	CC(=CCC1C(=O)C(C)CC2C1C2(C)C)C	0.99	0.382	0.179	0.628	0.376	0.036	0.129	0.918	0.584	1.0	0.755
Compound_613	CC1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C	0.982	0.138	0.519	0.579	0.662	0.629	0.892	0.975	0.623	0.998	0.898
Compound_614	CC(CCC1C(=C)CCCC1(C)C)O	0.947	0.234	0.404	0.591	0.36	0.02	0.791	0.964	0.288	0.984	0.872
Compound_615	CC(OC(=O)C)CCC1C(=C)CCCC1(C)C	0.955	0.265	0.414	0.566	0.582	0.014	0.878	0.902	0.851	1.0	0.728
Compound_616	C=CC1(C)CCC(CC1C(=C)C)C(OC(=O)C)(C)C	0.906	0.266	0.199	0.581	0.813	0.079	0.603	0.996	0.745	1.0	0.733
Compound_617	CC(CCCC=C(C(C)(C)C)O)C	0.921	0.154	0.432	0.562	0.251	0.06	0.668	0.911	0.195	0.508	0.696
Compound_618	CC(=O)/C=C/C12OC2(C)CCCC1(C)C	0.993	0.265	0.119	0.632	0.923	0.692	0.545	0.846	0.893	0.996	0.547
Compound_619	CC1=CCCC2(C)OC2CC/C(=C/CC1)/C	0.953	0.245	0.257	0.593	0.527	0.124	0.845	0.944	0.498	0.999	0.986
Compound_620	CC12OC1CCC=CCCC=CCC2(C)C	0.948	0.274	0.022	0.639	0.774	0.259	0.93	0.945	0.781	1.0	0.932
Compound_621	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_622	CCCCCC1(C)CCC(C1=O)(C)C	0.979	0.383	0.416	0.573	0.095	0.098	0.934	0.776	0.293	1.0	0.89
Compound_623	CCCCCC1OC(C)CC(O1)(C)C	0.87	0.248	0.042	0.542	0.027	0.073	0.934	0.974	0.621	0.99	0.587
Compound_624	Cc1ccc(cc1)CC(O)(C)C	0.094	0.094	0.338	0.52	0.064	0.122	0.341	0.314	0.523	0.419	0.134
Compound_625	CC1(OCC(CO1)(C)C)c1ccccc1	0.379	0.515	0.758	0.556	0.106	0.637	0.854	0.212	0.708	0.912	0.551
Compound_626	CC1OC(C)OC(C1)(C)c1ccccc1	0.59	0.597	0.483	0.564	0.051	0.384	0.643	0.868	0.401	0.693	0.51
Compound_627	CCCC(CCC1C(C)CCCC1(C)C)O	0.928	0.238	0.08	0.6	0.186	0.054	0.699	0.73	0.511	0.995	0.618
Compound_628	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_629	CC1CCC2CC1SC2(C)C	0.866	0.41	0.014	0.464	0.471	0.193	0.972	0.133	0.568	0.993	0.1
Compound_630	CC12CCCC(C2)(O)C2C(CC1)C(C2)(C)C	0.917	0.468	0.041	0.479	0.535	0.586	0.385	0.665	0.351	0.893	0.336
Compound_631	CC(=O)OC12CCCC(C1)(C)CCC1C2CC1(C)C	0.93	0.413	0.062	0.601	0.618	0.594	0.613	0.901	0.478	0.997	0.309
Compound_632	O=COC12CCCC(C1)(C)CCC1C2CC1(C)C	0.945	0.413	0.053	0.515	0.563	0.615	0.629	0.525	0.406	0.997	0.309
Compound_633	O=CC(CCC=C(CCC=C(C)C)C)C	0.754	0.021	0.642	0.569	0.09	0.054	0.9	0.92	0.661	1.0	0.959
Compound_634	OCC(CC/C=C(/CCC=C(C)C)\C)C	0.605	0.156	0.142	0.537	0.093	0.015	0.237	0.111	0.233	0.132	0.855
Compound_635	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_636	CCCCCC/C=C/C=C/C=O	0.978	0.052	0.403	0.61	0.348	0.67	0.999	0.979	0.989	1.0	0.87
Compound_637	CCCCCCC1CCCC(=O)O1	0.875	0.273	0.104	0.58	0.088	0.035	0.993	0.13	0.163	0.988	0.213
Compound_638	O=C1CCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.099	0.065	0.989	0.81	0.189	0.978	0.477
Compound_639	CCCCC/C=C/C=C/C=C	0.958	0.05	0.477	0.655	0.312	0.046	0.993	0.988	0.949	1.0	0.847
Compound_640	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_641	CCC=CCCCCCCC=O	0.987	0.076	0.181	0.545	0.217	0.22	0.999	0.91	0.715	1.0	0.889
Compound_642	O=CCCCCCCC/C=C/C	0.985	0.063	0.268	0.539	0.217	0.22	0.999	0.943	0.717	1.0	0.875
Compound_643	C=CCCCCCCCCC=O	0.975	0.154	0.272	0.601	0.298	0.348	0.999	0.984	0.199	1.0	0.905
Compound_644	CCCCCCCC/C=C/C#N	0.999	0.161	0.16	0.599	0.684	0.062	0.985	0.963	1.012	0.999	0.866
Compound_645	CCCCCCCCC=CCO	0.969	0.073	0.088	0.561	0.5	0.215	0.853	0.647	0.906	0.927	0.778
Compound_646	OCCCCCCCCCC=C	0.96	0.393	0.125	0.575	0.387	0.122	0.975	0.855	0.051	0.855	0.767
Compound_647	C=CCCCCCCCCCOC(=O)C	0.964	0.014	0.234	0.755	0.562	0.052	0.998	0.998	0.552	1.0	0.933
Compound_648	CCCCC1OC(C)CC(O1)(C)C	0.833	0.21	0.042	0.542	0.029	0.055	0.934	0.974	0.669	0.951	0.5
Compound_649	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_650	COc1cc(C=O)ccc1OC	0.554	0.159	0.483	0.6	0.179	0.413	0.632	0.011	0.539	0.64	0.373
Compound_651	CC(=O)OC1CC2CC1C1C2CC=C1	0.971	0.47	0.048	0.533	0.874	0.139	0.303	0.828	0.639	1.0	0.539
Compound_652	CCC(=O)OC1CC2CC1C1C2C=CC1	0.964	0.407	0.11	0.579	0.859	0.126	0.303	0.873	0.304	1.0	0.659
Compound_653	O=CC1(C)CCC(=CC1)CCCC(C)C	0.984	0.131	0.95	0.676	0.221	0.356	0.92	0.895	0.229	0.999	0.79
Compound_654	COc1cc(CCC(=O)C)ccc1O	0.76	0.203	0.334	0.652	0.344	0.085	0.932	0.664	0.52	0.423	0.219
Compound_655	OCC1(C)CCCC2(C1CC=C1C2CCC(=C1)C(C)C)C	0.984	0.418	0.451	0.583	0.854	0.885	0.412	0.65	0.36	0.417	0.404
Compound_656	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C	0.036	0.337	0.008	0.244	0.012	0.06	0.002	0.094	0.253	0.016	0.019
Compound_657	NC(=O)CC[C@@H](C(=O)O)NC(=O)C	0.001	0.0	0.003	0.095	0.023	0.005	0.001	0.013	0.258	0.001	0.009
Compound_658	CCCCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCCCC)CC(=O)OCCCCCC	0.892	0.025	0.091	0.703	0.114	0.204	0.987	0.909	0.497	0.935	0.89
Compound_659	OC(=O)C(Cc1ccc(cc1)O)NC(=O)C	0.071	0.308	0.025	0.217	0.058	0.055	0.004	0.012	0.261	0.034	-0.003
Compound_660	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)C	0.95	0.011	0.296	0.723	0.135	0.137	0.998	0.655	0.439	0.998	0.876
Compound_661	O=N(=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccccc1)S(=O)(=O)c1ccc(c(c1)N(=O)=O)Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccccc1	0.762	0.34	0.529	0.515	0.758	0.66	0.07	0.989	0.426	0.601	0.341
Compound_662	O=N(=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccccc1)N(=O)=O	0.807	0.35	0.872	0.488	0.732	0.605	0.328	0.997	0.511	0.594	0.359
Compound_663	Cc1ccc(c(c1)C)NN=C1C(=O)C=C/C(=N/Nc2ccc(cc2)S(=O)(=O)[O-])/C1=O	0.545	0.404	0.071	0.351	0.679	0.698	0.853	0.12	0.421	0.291	0.128
Compound_664	O=C1C=Cc2c(C1=NNc1ccc(cc1)N=Nc1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.675	0.477	0.996	0.645	0.687	0.743	0.954	0.993	0.451	0.384	0.175
Compound_665	OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N	0.758	0.694	0.188	0.525	0.102	0.305	0.003	0.039	0.462	0.128	0.538
Compound_666	OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O	0.834	0.629	0.089	0.542	0.093	0.273	0.006	0.05	0.488	0.106	0.467
Compound_667	OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N	0.938	0.639	0.038	0.648	0.118	0.587	0.008	0.05	0.462	0.102	0.5
Compound_668	OC[C@H]1O[C@@H](O[C@@H]2[C@@H]3CO[C@H]2[C@@H]([C@@H](O3)O)O)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O	0.505	0.452	0.005	0.518	0.795	0.751	0.104	0.108	0.475	0.567	0.143
Compound_669	C[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)N	0.002	0.01	0.009	0.112	0.054	0.004	0.001	0.003	0.332	0.005	0.012
Compound_670	OCCCCCCC(C(CCCCCCCC(=O)O)O)O	0.732	0.123	0.059	0.141	0.165	0.198	0.594	0.281	0.051	0.153	0.06
Compound_671	[O-]S(=O)CCN	0.074	0.132	0.015	0.266	0.013	0.027	0.001	0.002	0.295	0.263	0.444
Compound_672	NCCOS(=O)(=O)O	0.113	0.063	0.006	0.202	0.055	0.118	0.003	0.013	0.054	0.009	0.42
Compound_673	OCCNc1ccc(c(c1)N)OC	0.109	0.477	0.948	0.453	0.093	0.114	0.0	0.396	0.328	0.001	0.272
Compound_674	Oc1ccc(c(c1)C)N	0.409	0.422	0.978	0.633	0.426	0.162	0.887	0.958	0.772	0.579	0.903
Compound_675	Cc1ccc(c(c1)O)N	0.464	0.504	0.988	0.507	0.287	0.123	0.954	0.987	0.132	0.593	0.918
Compound_676	O=N(=O)c1cccc(c1N)O	0.922	0.103	0.976	0.589	0.583	0.179	0.988	0.995	0.752	0.633	0.949
Compound_677	N	0.856	0.131	0.752	0.508	0.606	0.04	0.28	0.723	0.966	0.997	0.779
Compound_678	CCCCCCCCOCCOS(=O)(=O)[O-]	0.963	0.065	0.039	0.475	0.102	0.263	0.997	0.867	0.093	0.994	0.374
Compound_679	CC(c1ccccc1S(=O)(=O)[O-])C	0.755	0.388	0.374	0.416	0.311	0.236	0.964	0.632	0.314	0.971	0.058
Compound_680	CCCCCCCCCCCCOCCOS(=O)(=O)O	0.944	0.109	0.04	0.344	0.247	0.356	0.96	0.571	0.096	0.949	0.343
Compound_681	OP(=O)(F)O	0.69	0.184	0.047	0.352	0.617	0.077	0.456	0.709	0.908	0.642	0.574
Compound_682	CCCCCCCCCCCCCCOCCCCCCCCCCCCCC	0.95	0.079	0.176	0.615	0.094	0.338	1.0	0.913	0.879	1.0	0.849
Compound_683	CCCCCCCCCc1ccc(cc1)OCCOS(=O)(=O)[O-]	0.776	0.368	0.19	0.537	0.383	0.863	0.992	0.988	0.134	0.99	0.359
Compound_684	[O-]S(=O)(=O)OOS(=O)(=O)[O-]	0.895	0.121	0.212	0.344	0.621	0.282	0.572	0.612	0.483	0.925	0.255
Compound_685	Oc1ccccc1S(=O)(=O)[O-]	0.757	0.418	0.522	0.446	0.307	0.272	0.636	0.804	0.372	0.752	0.084
Compound_686	Cc1ccc(c(c1)C)S(=O)(=O)[O-]	0.675	0.405	0.69	0.364	0.614	0.196	0.983	0.752	0.41	0.978	0.051
Compound_687	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O)[C@@H]([C@H]([C@@H]2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.544	0.375	0.006	0.511	0.827	0.705	0.161	0.086	0.524	0.55	0.091
Compound_688	CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O	0.674	0.019	0.12	0.1	0.462	0.045	0.992	0.101	0.305	0.98	0.253
Compound_689	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_690	CCCCCCCCCCCCCCCCCCC(CO)O	0.907	0.227	0.05	0.548	0.171	0.32	0.982	0.035	0.197	0.444	0.219
Compound_691	CCCCCCCCCCCCCCCCCCCCOC(=O)CC	0.931	0.003	0.272	0.763	0.15	0.139	1.0	0.904	0.359	0.998	0.912
Compound_692	CCCCCCCCCCCCCCCC(=O)O[C@H]([C@H]1OC(=O)C(=C1OC(=O)CCCCCCCCCCCCCCC)O)CO	0.865	0.51	0.031	0.628	0.222	0.551	0.72	0.14	0.131	0.945	0.87
Compound_693	OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C	0.903	0.85	0.019	0.365	0.92	0.721	0.272	0.343	0.07	0.315	0.011
Compound_694	c1ccc2c(cc1)ccc2	0.988	0.483	0.952	0.832	0.232	0.195	0.989	0.826	0.972	0.999	0.932
Compound_695	CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC	0.24	0.795	0.98	0.602	0.5	0.499	0.06	0.964	0.877	0.962	0.894
Compound_696	CN(c1ccc2c(c1)[o+]c1c(n2)c2ccccc2cc1)C	0.515	0.828	0.995	0.585	0.658	0.581	0.937	0.986	0.925	0.792	0.955
Compound_697	CCNc1ccc(c2c1cccc2)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC	0.741	0.696	0.923	0.493	0.862	0.918	0.831	0.39	0.745	0.995	0.867
Compound_698	OCCN(c1ccc(cc1)N=Nc1sc2c([n+]1C)ccc(c2)OC)CC	0.845	0.679	0.936	0.611	0.468	0.846	0.032	0.653	0.375	0.141	0.432
Compound_699	CN(Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N)C	0.565	0.632	0.507	0.337	0.841	0.227	0.918	0.977	0.588	0.226	0.902
Compound_700	NC1=C2C(=O)C(=CC(=C2C(=O)C(=C1)Br)N)Nc1cccc(c1)[N+](C)(C)C	0.54	0.694	0.602	0.66	0.81	0.624	0.337	0.963	0.467	0.835	0.533
Compound_701	Cc1ccc(cc1N=Nc1cc(C)c(cc1N)N)N=Nc1cc(C)c(cc1N)N	0.86	0.767	0.998	0.666	0.847	0.859	0.982	0.861	0.857	0.981	0.79
Compound_702	Nc1ccc(c(c1)N(=O)=O)NN=C1C(=O)C=Cc2c1cc(cc2)[N+](C)(C)C	0.703	0.707	0.841	0.624	0.813	0.514	0.973	0.983	0.556	0.749	0.801
Compound_703	CCN(c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccccc1)CC	0.845	0.749	0.784	0.524	0.89	0.996	0.908	0.753	0.742	0.988	0.78
Compound_704	Nc1cc(N)c(cc1N=Nc1ccccc1)C	0.962	0.852	0.997	0.659	0.538	0.725	0.982	0.903	0.966	0.937	0.836
Compound_705	CN(c1ccc(cc1)N=Nc1n(C)nc[n+]1C)C	0.734	0.59	0.931	0.618	0.121	0.809	0.146	0.729	0.966	0.832	0.513
Compound_706	CN1C=N[NH+](C1N=Nc1ccc(cc1)N(Cc1ccccc1)C)C	0.568	0.656	0.581	0.581	0.297	0.852	0.06	0.357	0.409	0.897	0.428
Compound_707	COc1ccc(c(c1)OC)[NH+]=CC=C1N(C)c2c(C1(C)C)cccc2	0.325	0.636	0.225	0.571	0.666	0.352	0.769	0.817	0.836	0.908	0.891
Compound_708	COc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.511	0.721	0.274	0.695	0.628	0.842	0.432	0.114	0.659	0.943	0.843
Compound_709	CCCCCCCCCCCCCCCCCCOCC(CO)O	0.94	0.519	0.031	0.591	0.166	0.509	0.956	0.059	0.417	0.858	0.166
Compound_710	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO	0.058	0.087	0.018	0.253	0.021	0.273	0.03	0.052	0.312	0.034	0.056
Compound_711	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.258	0.11	0.0	0.095	0.005	0.174	0.521	0.036	0.412	0.201	0.172
Compound_712	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(C)C	0.254	0.31	0.005	0.34	0.005	0.174	0.521	0.017	0.418	0.064	0.18
Compound_713	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)O	0.176	0.189	0.005	0.728	0.081	0.159	0.206	0.089	0.042	0.007	0.131
Compound_714	CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1	0.851	0.075	0.542	0.639	0.119	0.518	0.998	0.364	0.912	0.995	0.729
Compound_715	CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO	0.227	0.323	0.39	0.55	0.02	0.433	0.155	0.397	0.914	0.206	0.169
Compound_716	O=C1OC(=Cc2ccccc2)c2c1cccc2	0.754	0.571	0.851	0.632	0.291	0.583	0.999	0.233	0.611	0.985	0.862
Compound_717	CC(=O)Oc1ccc(c(c1)OC(=O)C)OC(=O)C	0.723	0.15	0.727	0.673	0.687	0.037	0.703	0.241	0.711	0.135	0.293
Compound_718	Clc1ccc(c(c1)C(=O)c1ccccc1)O	0.855	0.647	0.95	0.801	0.714	0.777	0.71	0.937	0.723	0.984	0.983
Compound_719	COc1cc(O)c(cc1S(=O)(=O)[O-])C(=O)c1cc(c(cc1O)OC)S(=O)(=O)[O-]	0.749	0.629	0.932	0.598	0.163	0.344	0.961	0.605	0.473	0.273	0.153
Compound_720	COc1ccc(c(c1)O)C(=O)c1ccc(cc1)C	0.909	0.76	0.973	0.845	0.914	0.971	0.958	0.017	0.524	0.081	0.829
Compound_721	O=C(c1ccccc1)Oc1cccc2c1nccc2	0.816	0.693	0.906	0.616	0.551	0.482	0.98	0.858	0.058	0.945	0.914
Compound_722	O=C(c1cccnc1)OCc1ccccc1	0.168	0.738	0.78	0.56	0.049	0.098	0.023	0.014	0.058	0.062	0.842
Compound_723	CC[N+](Cc1ccccc1)(CC)CC	0.084	0.52	0.78	0.562	0.006	0.299	0.005	0.058	0.59	0.546	0.037
Compound_724	O=C1C(=Cc2ccc(cc2)S(=O)(=O)O)C2C(C1(C)CC2)(C)C	0.868	0.774	0.478	0.383	0.914	0.532	0.033	0.76	0.243	0.99	0.223
Compound_725	Oc1ccc(cc1)C(=O)OCc1ccccc1	0.631	0.699	0.886	0.681	0.969	0.991	0.996	0.099	0.95	0.041	0.62
Compound_726	OC[C@H]1O[C@@H](Oc2cc3C[C@H](N(c3cc2O)C=CC2=CC(=[NH+][C@@H](C2)C(=O)O)C(=O)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O	0.687	0.454	0.023	0.316	0.506	0.379	0.063	0.533	0.253	0.083	0.805
Compound_727	OC(=O)CCN(CC(=O)O)CC(=O)O	0.016	0.056	0.013	0.025	0.078	0.003	0.006	0.217	0.502	0.008	0.131
Compound_728	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C)C	0.975	0.96	0.026	0.713	0.955	0.906	0.015	0.934	0.607	1.0	0.387
Compound_729	OC1CC2C(C1(C)CC2)(C)C	0.919	0.745	0.025	0.553	0.48	0.122	0.068	0.254	0.293	0.974	0.483
Compound_730	O=C/C(=C\c1ccccc1)/Br	0.935	0.363	0.683	0.716	0.644	0.52	0.999	0.985	0.959	1.0	0.925
Compound_731	CCCCCC[C@@H](OC(=O)C)CC=CCCCCCCCC(=O)OCCCC	0.964	0.049	0.196	0.709	0.419	0.087	0.999	0.91	0.579	1.0	0.954
Compound_732	CCCCOC(=O)CCCCCCCCCCCCCCC(C)C	0.903	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.378	0.996	0.89
Compound_733	CCCCCCCCCCCCCC(=O)OCCCC	0.903	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.553	0.998	0.912
Compound_734	CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC	0.883	0.111	0.505	0.718	0.034	0.035	0.992	0.467	0.479	0.996	0.753
Compound_735	CCCCOC(=O)CS	0.73	0.065	0.054	0.693	0.121	0.218	0.999	0.21	0.668	0.986	0.866
Compound_736	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_737	CCCCCCOC(=O)C(OC(=O)CCC)(CC(=O)OCCCCCC)CC(=O)OCCCCCC	0.893	0.025	0.091	0.717	0.114	0.204	0.987	0.64	0.447	0.935	0.89
Compound_738	CCCCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.107	0.025	0.981	0.882	0.603	1.0	0.851
Compound_739	CCCCCCCCCCCCOC(=O)c1ccccc1	0.851	0.075	0.542	0.639	0.131	0.279	0.997	0.364	0.912	0.995	0.729
Compound_740	CCCCCCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.1	0.066	0.989	0.882	0.603	1.0	0.851
Compound_741	OCC(OP(=O)([O-])[O-])CO	0.643	0.233	0.182	0.515	0.077	0.073	0.04	0.402	0.218	0.3	0.399
Compound_742	COc1cc(CCCS(=O)(=O)[O-])ccc1OC(CS(=O)(=O)[O-])Cc1cccc(c1O)OC	0.227	0.661	0.141	0.526	0.659	0.439	0.102	0.155	0.339	0.461	0.286
Compound_743	FOP(=O)([O-])[O-]	0.823	0.28	0.615	0.599	0.601	0.079	0.442	0.992	0.907	0.997	0.676
Compound_744	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.081	0.024	0.999	0.777	0.146	0.998	0.915
Compound_745	OCC([C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)[O-])O)(C)C	0.036	0.168	0.0	0.211	0.044	0.116	0.001	0.22	0.071	0.024	0.513
Compound_746	O=C1C(=Cc2ccc(cc2)[N+](C)(C)C)C2C(C1(C)CC2)(C)C	0.948	0.617	0.037	0.49	0.515	0.837	0.829	0.624	0.246	0.51	0.593
Compound_747	CCCCCCCCCC(=O)N(CCO)CCO	0.455	0.077	0.144	0.542	0.02	0.328	0.009	0.166	0.058	0.033	0.193
Compound_748	CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCC)CO)O	0.282	0.196	0.019	0.443	0.087	0.335	0.008	0.348	0.352	0.05	0.059
Compound_749	CCCCCCCCCC1=NCCN1CCO	0.227	0.323	0.39	0.55	0.014	0.153	0.003	0.397	0.914	0.206	0.169
Compound_750	CCCCCCCCOCCO	0.909	0.231	0.069	0.611	0.163	0.392	0.961	0.889	0.369	0.892	0.62
Compound_751	CCCCCCCC(=O)Oc1ccccc1C(=O)O	0.623	0.336	0.103	0.271	0.33	0.029	0.328	0.077	0.426	0.838	0.765
Compound_752	CCCCCCCC1=NCCN1CCO	0.21	0.323	0.39	0.55	0.014	0.153	0.003	0.397	0.884	0.206	0.169
Compound_753	C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]1(C)C[C@H](CC1(C)C)O)\C	0.949	0.633	0.426	0.775	0.892	0.967	0.269	0.98	0.186	0.994	0.829
Compound_754	COC(=O)CCC[N+](C)(C)C	0.155	0.207	0.045	0.637	0.036	0.017	0.005	0.459	0.172	0.0	0.145
Compound_755	CCC(=O)OCC1OC(OC(=O)CC)C(C(C1OC1OC(COC(=O)CC)C(C(C1OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC	0.851	0.58	0.232	0.705	0.633	0.51	0.975	0.317	0.292	0.497	0.856
Compound_756	OCC(C(C(C(C=O)O)O)O)O	0.246	0.076	0.046	0.358	0.066	0.44	0.009	0.012	0.076	0.065	0.103
Compound_757	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_758	CCCCCCCCCCCCCCCCOCCOP(=O)(O)O	0.953	0.095	0.026	0.418	0.23	0.242	0.991	0.029	0.829	0.805	0.339
Compound_759	CCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1	0.583	0.42	0.22	0.675	0.036	0.505	0.767	0.332	0.467	0.245	0.176
Compound_760	CCCCCCCCCCCCCCCCOCC(CO)O	0.94	0.519	0.031	0.591	0.166	0.509	0.956	0.059	0.417	0.858	0.166
Compound_761	CCCCCCCCCCCCCCC(CO)O	0.907	0.227	0.05	0.548	0.171	0.32	0.982	0.035	0.197	0.444	0.219
Compound_762	CCCCCCCCCCCCCCCCOC(=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_763	CCCCCCCCCCCCCCCCOC(=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_764	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.983	0.06	0.039	0.401	0.159	0.122	0.988	0.028	0.8	0.649	0.367
Compound_765	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CC[C@@H](CCCCCC)O	0.952	0.103	0.097	0.727	0.573	0.174	0.983	0.938	0.27	0.924	0.404
Compound_766	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_767	CCCCCCCCCCCCCCCCN	0.321	0.023	0.057	0.403	0.045	0.317	0.403	0.033	0.773	0.955	0.223
Compound_768	CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CO	0.928	0.041	0.07	0.566	0.147	0.181	0.974	0.11	0.578	0.826	0.666
Compound_769	CCc1ccc(c2c(c1)c(C)cc2)C	0.806	0.417	0.889	0.713	0.236	0.242	0.919	0.949	0.887	1.0	0.905
Compound_770	COC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)CO)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)N)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)N)O	0.097	0.678	0.002	0.334	0.734	0.672	0.012	0.637	0.391	0.114	0.248
Compound_771	OCCNc1cc(N(=O)=O)c(cc1Cl)N	0.574	0.237	0.936	0.422	0.645	0.328	0.005	0.918	0.411	0.02	0.583
Compound_772	Nc1ccc(c(c1)Cl)N	0.93	0.308	0.96	0.646	0.204	0.271	0.997	0.991	0.977	0.972	0.649
Compound_773	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C	0.975	0.97	0.307	0.731	0.955	0.906	0.015	0.924	0.255	1.0	0.104
Compound_774	CCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.957	0.96	0.307	0.728	0.942	0.862	0.014	0.816	0.122	1.0	0.387
Compound_775	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)Cl)C)C	1.0	0.711	0.717	0.79	0.972	0.945	0.868	0.881	0.249	0.996	0.336
Compound_776	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)c1ccc(cc1Cl)Cl)C)C	0.909	0.93	0.955	0.738	0.982	0.966	0.422	0.582	0.472	1.0	0.31
Compound_777	CCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.945	0.96	0.307	0.728	0.947	0.887	0.013	0.816	0.113	1.0	0.387
Compound_778	CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.945	0.96	0.345	0.665	0.965	0.924	0.014	0.783	0.143	1.0	0.387
Compound_779	CCCCCCCCC=CCCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.95	0.96	0.292	0.655	0.968	0.946	0.01	0.68	0.459	1.0	0.458
Compound_780	CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.945	0.96	0.307	0.728	0.947	0.887	0.013	0.816	0.113	1.0	0.387
Compound_781	OCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.961	0.95	0.085	0.714	0.952	0.974	0.057	0.812	0.058	0.707	0.176
Compound_782	O=Nc1c([O-])ccc2c1cccc2	0.96	0.788	0.995	0.607	0.81	0.639	0.999	0.994	0.753	1.0	0.995
Compound_783	O=N(=O)c1cc(N(=O)=O)c2c(c1[O-])cc(cc2)S(=O)(=O)[O-]	0.915	0.568	0.988	0.453	0.804	0.721	0.868	0.999	0.481	0.864	0.518
Compound_784	COc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1C)C(=O)C	0.559	0.79	0.977	0.716	0.78	0.629	0.182	0.86	0.432	0.961	0.807
Compound_785	Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.858	0.325	0.992	0.511	0.585	0.658	0.639	0.997	0.365	0.461	0.086
Compound_786	O=C1C(=NNc2ccc(c3c2cccc3)S(=O)(=O)[O-])C=C(c2c1cccc2)S(=O)(=O)[O-]	0.674	0.524	0.988	0.584	0.697	0.714	0.966	0.995	0.433	0.395	0.188
Compound_787	O=C1C=Cc2c(C1=NNc1ccc(c3c1cccc3)S(=O)(=O)[O-])cccc2	0.674	0.477	0.983	0.627	0.665	0.695	0.969	0.994	0.466	0.384	0.175
Compound_788	O=C1C=Cc2c(C1=NNc1cccc(c1)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.657	0.477	0.948	0.585	0.624	0.698	0.919	0.986	0.476	0.384	0.175
Compound_789	O=C1/C(=N/Nc2ccc(c3c2cccc3)S(=O)(=O)[O-])/c2ccc(cc2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.645	0.526	0.996	0.555	0.773	0.69	0.969	0.988	0.417	0.314	0.195
Compound_790	O=C1C=Cc2c(C1=NNc1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.593	0.477	0.943	0.648	0.63	0.764	0.919	0.989	0.449	0.384	0.175