Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O	0.962	0.302	0.038	0.618	0.455	0.243	0.804	0.328	0.039	0.993	0.16
Compound_2	CCCCCCCCCCCCCC(=O)OCC(CO)O	0.893	0.261	0.047	0.685	0.121	0.174	0.808	0.033	0.042	0.951	0.087
Compound_3	CCCCCCCCCCCCCCC(=O)OCC(CO)O	0.893	0.261	0.047	0.685	0.121	0.174	0.808	0.033	0.042	0.951	0.087
Compound_4	SCCC(=O)OCC(CO)O	0.443	0.215	0.044	0.596	0.178	0.242	0.033	0.042	0.185	0.885	0.232
Compound_5	CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(OC(=O)C)CCCCCC)COC(=O)CCCCCCC/C=C/CC(OC(=O)C)CCCCCC	0.985	0.087	0.229	0.725	0.624	0.171	0.998	0.873	0.401	1.0	0.927
Compound_6	OCCOCC1CCCO1	0.654	0.229	0.021	0.543	0.135	0.176	0.786	0.58	0.128	0.514	0.403
Compound_7	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO[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)O)O	0.544	0.375	0.006	0.511	0.762	0.757	0.161	0.086	0.524	0.55	0.091
Compound_8	CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC	0.95	0.011	0.296	0.734	0.135	0.137	0.998	0.631	0.35	0.998	0.876
Compound_9	CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C/CCCCCCCC	0.984	0.096	0.517	0.724	0.646	0.206	0.999	0.969	0.435	1.0	0.915
Compound_10	CCCCCCCCCCCCCCCCC(C(=O)OC(O)C)O	0.779	0.064	0.006	0.577	0.053	0.361	0.889	0.91	0.123	0.915	0.125
Compound_11	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO	0.856	0.057	0.107	0.716	0.157	0.3	0.992	0.719	0.092	0.872	0.432
Compound_12	CCCCCCCCC=CCCCCCCCC(=O)OCCO	0.961	0.184	0.132	0.717	0.555	0.425	0.992	0.898	0.137	0.981	0.527
Compound_13	CCCCCCCCCCCCCCCC(=O)OCCO	0.856	0.057	0.107	0.716	0.157	0.3	0.992	0.719	0.092	0.872	0.432
Compound_14	CCCCCC[C@H](CC=CCCCCCCCC(=O)OCCO)O	0.959	0.253	0.08	0.709	0.528	0.282	0.887	0.896	0.089	0.936	0.141
Compound_15	OCCOC(=O)c1ccccc1O	0.416	0.142	0.198	0.566	0.286	0.099	0.038	0.053	0.076	0.876	0.18
Compound_16	CCCCCCCCCCCCCCCCCC(=O)OCC(=O)N	0.309	0.084	0.029	0.443	0.012	0.044	0.958	0.03	0.322	0.783	0.117
Compound_17	NCC(=O)NCC(=O)O	0.002	0.075	0.004	0.199	0.034	-0.0	0.0	0.002	0.06	0.008	0.104
Compound_18	NC(=N)N	0.439	0.141	0.31	0.433	0.476	0.088	0.012	0.587	0.753	0.385	0.204
Compound_19	CNc1nc(OC)ccc1N	0.35	0.254	0.956	0.452	0.059	0.14	0.012	0.812	0.772	0.098	0.184
Compound_20	NCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC	0.383	0.523	0.966	0.546	0.394	0.126	0.288	0.34	0.406	0.005	0.573
Compound_21	Nc1ccc(c(c1N)N=Nc1ccccc1)N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)[N+](C)(C)C	0.954	0.746	0.976	0.63	0.865	0.801	0.663	0.903	0.691	0.937	0.652
Compound_22	Cc1cc(ccc1N=Nc1ccc(c(c1N=Nc1ccccc1)N)N)N=Nc1cccc(c1)[N+](C)(C)C	0.818	0.734	0.933	0.604	0.822	0.822	0.677	0.839	0.541	0.817	0.595
Compound_23	OCCNC1=CC(=O)C(=CC1=O)Nc1ccc(cc1)N(CCO)CCO	0.293	0.429	0.31	0.404	0.385	0.397	0.056	0.307	0.3	0.354	0.701
Compound_24	Oc1ccc(cc1)Nc1ccccc1N(=O)=O	0.959	0.707	0.902	0.634	0.923	0.357	0.781	0.994	0.727	0.974	0.989
Compound_25	Nc1ccc(c(c1)N(=O)=O)Nc1ccccc1	0.973	0.601	0.932	0.518	0.805	0.297	0.951	0.998	0.783	0.993	0.956
Compound_26	OCCNc1ccc(c(c1)N(=O)=O)N	0.591	0.222	0.835	0.333	0.605	0.101	0.001	0.918	0.293	0.004	0.558
Compound_27	CNc1ccc(cc1Cl)N=C1C=C(C)C(=O)C=C1NC(=O)N	0.24	0.568	0.892	0.374	0.553	0.681	0.238	0.289	0.789	0.154	0.609
Compound_28	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_29	OCCN(c1ccc(cc1O)N(=O)=O)CCO	0.773	0.236	0.024	0.454	0.359	0.327	0.118	0.476	0.364	0.357	0.706
Compound_30	OCCNc1ccc(cc1N)N(=O)=O	0.676	0.256	0.872	0.343	0.197	0.253	0.001	0.899	0.349	0.008	0.486
Compound_31	OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO	0.493	0.487	0.931	0.485	0.241	0.819	0.125	0.666	0.444	0.014	0.373
Compound_32	COc1cc(N=C2C=CC(=O)C=C2Cl)c(cc1O)NC(=O)C	0.288	0.55	0.796	0.743	0.598	0.432	0.522	0.885	0.687	0.819	0.534
Compound_33	CCCCCCCCCC(CCCCCCC)CO	0.928	0.041	0.07	0.566	0.087	0.157	0.977	0.11	0.578	0.826	0.666
Compound_34	CCCCCCCCCCCCCCCCCCCCCCCCC(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_35	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.874	0.003	0.251	0.736	0.16	0.127	0.998	0.649	0.328	0.998	0.912
Compound_36	OCCCCC(CO)O	0.649	0.18	0.051	0.522	0.067	0.069	0.836	0.029	0.064	0.364	0.128
Compound_37	CCCCCCOC(=O)c1cccnc1	0.302	0.24	0.766	0.569	0.024	0.039	0.014	0.045	0.462	0.791	0.449
Compound_38	CCCCCCCCC(C(=O)O)CCCCCC	0.754	0.01	0.072	0.2	0.115	0.023	0.992	0.226	0.08	0.854	0.358
Compound_39	CCCCCCCCC=CCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC	0.964	0.016	0.408	0.723	0.55	0.085	0.996	0.861	0.321	1.0	0.942
Compound_40	O=C(c1ccccc1)NCC(=O)O	0.086	0.159	0.142	0.172	0.016	0.06	0.023	0.029	0.058	0.001	0.034
Compound_41	OO	0.887	0.197	0.824	0.508	0.649	0.162	0.456	0.723	0.901	0.892	0.581
Compound_42	NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N)Cc1ccccc1	0.628	0.48	0.0	0.321	0.252	0.909	0.089	0.003	0.392	0.035	0.041
Compound_43	O=c1oc2c(s1)c(O)ccc2	0.858	0.255	0.47	0.508	0.507	0.139	0.665	0.208	0.683	0.702	0.24
Compound_44	Oc1ccc(c2c1C(=O)c1ccccc1C2=O)NCCC[N+]1(C)CCOCC1	0.403	0.687	0.623	0.584	0.805	0.583	0.128	0.482	0.322	0.058	0.655
Compound_45	Oc1ccc2c(c1)NCCO2	0.538	0.481	0.975	0.518	0.53	0.134	0.062	0.064	0.459	0.187	0.451
Compound_46	CCC(COC1C(OC2OC(COCC(CC)O)C(C(C2OCC(CC)O)OCC(CC)O)OCC(CC)O)C(COCC(CC)O)OC(C1OCC(CC)O)OCC(CC)O)O	0.584	0.555	0.024	0.472	0.648	0.655	0.39	0.292	0.392	0.841	0.409
Compound_47	CCCCCCCCC(C(=O)O)O	0.692	0.095	0.034	0.21	0.047	0.035	0.849	0.625	0.033	0.775	0.041
Compound_48	CCCCCCC(C(=O)O)O	0.667	0.095	0.034	0.21	0.047	0.035	0.849	0.625	0.016	0.775	0.041
Compound_49	CCCCCCCCCCCCCCC(C[N+](CCO)(C)C)O	0.535	0.268	0.004	0.491	0.044	0.355	0.163	0.142	0.2	0.006	0.152
Compound_50	CCCCCCCCCCCCCCC(COP(=O)(O)O)O	0.889	0.149	0.007	0.384	0.183	0.161	0.904	0.025	0.516	0.629	0.254
Compound_51	CCCCCCCCCCCCCCCC[N+](CCO)(C)C	0.576	0.358	0.01	0.568	0.046	0.684	0.691	0.138	0.55	0.054	0.157
Compound_52	CCCCCCCCCCCCCCCCCC(=O)NCC(OCCO)C	0.083	0.144	0.015	0.3	0.041	0.313	0.049	0.231	0.277	0.03	0.025
Compound_53	OCCNc1ccc(cc1OC)N(=O)=O	0.543	0.332	0.957	0.439	0.086	0.251	0.001	0.636	0.427	0.077	0.619
Compound_54	Oc1cccc2c1cc[nH]2	0.569	0.62	0.798	0.554	0.566	0.646	0.011	0.697	0.868	0.907	0.967
Compound_55	CCCCCCCCCCC(C(=O)O)O	0.692	0.095	0.034	0.21	0.047	0.035	0.849	0.625	0.033	0.775	0.041
Compound_56	OCC12COCN2COC1	0.187	0.263	0.099	0.27	0.031	0.074	0.01	0.661	0.292	0.015	0.585
Compound_57	CCCCCCCCCCCCCCCCCCCCCCCCCCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.764	0.051	0.056	0.691	0.244	0.228	0.897	0.383	0.142	0.743	0.181
Compound_58	NC(=O)CNc1cccc(c1)O	0.231	0.273	0.13	0.257	0.5	0.019	0.002	0.005	0.137	0.0	0.25
Compound_59	OC1CNC(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_60	CCCCCCC(CCCCCCCCCCC(=O)NCCO)O	0.068	0.118	0.009	0.277	0.014	0.106	0.01	0.083	0.265	0.014	0.025
Compound_61	CC(COCC(O)C)C	0.628	0.087	0.017	0.455	0.08	0.076	0.672	0.021	0.293	0.44	0.464
Compound_62	CCCCCCCCCCCCCC(=O)OCC(C)C	0.903	0.012	0.122	0.707	0.084	0.065	0.999	0.606	0.351	0.996	0.89
Compound_63	CCCCCCCCCCCCCCCC(=O)OCC(C)C	0.903	0.012	0.122	0.707	0.084	0.065	0.999	0.606	0.351	0.996	0.89
Compound_64	CCCCCCCCC(=O)OCC(C)C	0.903	0.012	0.122	0.707	0.064	0.018	0.993	0.606	0.351	0.996	0.89
Compound_65	CCCCCCCCCCCCCCCCCC(=O)OCC(C)C	0.903	0.012	0.122	0.707	0.084	0.065	0.999	0.606	0.351	0.996	0.89
Compound_66	CC(CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C)C	0.871	0.012	0.658	0.693	0.145	0.06	0.998	0.551	0.1	0.98	0.799
Compound_67	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C	0.871	0.012	0.658	0.726	0.145	0.06	0.998	0.537	0.171	0.996	0.89
Compound_68	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_69	CCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.871	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.171	0.996	0.89
Compound_70	CCCCCCCCCCOC(=O)C(C)(C)C	0.923	0.011	0.182	0.666	0.125	0.057	0.996	0.925	0.511	0.993	0.857
Compound_71	CCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.871	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.171	0.996	0.89
Compound_72	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.871	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.171	0.996	0.89
Compound_73	C=C(CC(C)(C)C)CC(C)(C)C	0.975	0.076	0.214	0.549	0.234	0.01	0.976	0.984	0.902	0.998	0.92
Compound_74	CCCCCCCCCCCC(=O)OC(CCCC)C	0.894	0.021	0.104	0.6	0.093	0.071	0.999	0.132	0.178	0.999	0.843
Compound_75	OCC([C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O	0.233	0.187	0.026	0.381	0.116	0.339	0.056	0.17	0.404	0.51	0.005
Compound_76	CCCCCCCCC(=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_77	O=C(CC(CC(C)(C)C)C)OCCC(CC(C)(C)C)C	0.731	0.011	0.148	0.512	0.134	0.1	0.982	0.724	0.393	0.968	0.749
Compound_78	OCC(C(C)C)O	0.582	0.076	0.035	0.401	0.045	0.018	0.927	0.017	0.101	0.073	0.326
Compound_79	CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.902	0.021	0.232	0.583	0.093	0.071	0.999	0.133	0.586	0.999	0.833
Compound_80	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.902	0.021	0.232	0.583	0.093	0.071	0.999	0.133	0.586	0.999	0.833
Compound_81	CC(OC(=O)CC(C(=O)[O-])(CC(=O)[O-])O)C	0.361	0.025	0.04	0.381	0.123	0.089	0.385	0.659	0.64	0.01	0.802
Compound_82	CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C	0.945	0.015	0.398	0.624	0.426	0.081	0.999	0.93	0.611	1.0	0.906
Compound_83	COc1ccc(cc1)C=CC(=O)OC(C)C	0.932	0.241	0.804	0.738	0.43	0.735	0.761	0.513	0.887	0.969	0.247
Compound_84	CCCCCC[C@H](CC=CCCCCCCCC(=O)OC(C)C)O	0.956	0.061	0.091	0.603	0.446	0.157	0.982	0.949	0.554	0.976	0.533
Compound_85	C/C=C/C=C/C(=O)OC(C)C	0.982	0.086	0.647	0.6	0.695	0.28	0.998	0.997	0.956	0.998	0.885
Compound_86	CCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.902	0.021	0.232	0.583	0.093	0.071	0.999	0.133	0.586	0.999	0.833
Compound_87	O=C(c1ccccc1O)OCc1ccc(cc1)C(C)C	0.526	0.65	0.5	0.578	0.834	0.84	0.949	0.351	0.203	0.143	0.28
Compound_88	OCCN(C(=O)CCCCCCCCCCCCCCC(C)C)CCO	0.455	0.079	0.616	0.508	0.025	0.629	0.335	0.063	0.082	0.013	0.12
Compound_89	CC(CCCCCCCCCCCCCCC(=O)NCCCN(C)C)C	0.258	0.1	0.002	0.101	0.004	0.134	0.38	0.033	0.357	0.003	0.141
Compound_90	CC(CCCCCCCCCCCCCCC(=O)NCCC[N+](CC1CO1)(C)C)C	0.15	0.378	0.022	0.251	0.119	0.242	0.058	0.059	0.374	0.001	0.182
Compound_91	CC[N+](CCCNC(=O)CCCCCCCCCCCCCCC(C)C)(C)C	0.254	0.31	0.018	0.281	0.004	0.134	0.38	0.017	0.364	0.064	0.18
Compound_92	CC(CCCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C)C	0.239	0.338	0.05	0.28	0.0	0.424	0.527	0.054	0.372	0.0	0.082
Compound_93	CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C	0.964	0.014	0.865	0.751	0.539	0.077	0.996	0.957	0.222	1.0	0.937
Compound_94	OCCN1CCN=C1CCCCCCCCCCCCCCC(C)C	0.227	0.373	0.822	0.539	0.017	0.308	0.089	0.117	0.511	0.03	0.108
Compound_95	CC(CCCCCCCCCCCCCCCOC(=O)C(O)C)C	0.857	0.043	0.186	0.661	0.099	0.19	0.981	0.506	0.179	0.349	0.474
Compound_96	CC(CCCCCCCCCCCCCCCOC(=O)C(C)(C)C)C	0.923	0.011	0.615	0.618	0.174	0.113	0.998	0.812	0.274	0.968	0.749
Compound_97	CC(CCCCCCCCCCOC(=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_98	OC(=O)CCC(=O)C(=O)O	0.178	0.017	0.084	0.115	0.027	0.043	0.318	0.218	0.222	0.006	0.046
Compound_99	c1coc(c1)CNc1ncnc2c1[nH]cn2	0.204	0.578	0.856	0.39	0.484	0.669	0.027	0.37	0.302	0.135	0.66
Compound_100	OCc1occ(c(=O)c1)O	0.429	0.236	0.045	0.39	0.226	0.827	0.67	0.044	0.642	0.045	0.659
Compound_101	OCCNC(=O)C(O)C	0.004	0.06	0.002	0.256	0.004	0.007	0.002	0.027	0.115	0.007	0.022
Compound_102	CC(=O)OCCO	0.66	0.061	0.073	0.593	0.083	0.059	0.802	0.43	0.447	0.27	0.335
Compound_103	CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1	0.214	0.433	0.022	0.39	0.033	0.154	0.183	0.532	0.357	0.192	0.208
Compound_104	CCCCCCCCCCCCCCCCCC(=O)OC(C(CO)O)O	0.93	0.263	0.037	0.583	0.078	0.303	0.808	0.109	0.053	0.715	0.132
Compound_105	CCCCCCCCCCCC(=O)N	0.247	0.01	0.028	0.309	0.012	0.024	0.672	0.059	0.572	0.841	0.131
Compound_106	CCCCCCCCCCCC(=O)NCCC[N+](CC(=O)N)(C)C	0.14	0.265	0.001	0.268	0.018	0.086	0.137	0.021	0.399	0.019	0.218
Compound_107	CCCCCCCCCCCCOCCOCCO	0.909	0.215	0.069	0.622	0.212	0.748	0.991	0.871	0.426	0.861	0.567
Compound_108	CCCCCCCCCCCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.216	0.783	0.908	0.871	0.426	0.905	0.566
Compound_109	CCCCCCCCCCCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.216	0.783	0.908	0.871	0.426	0.905	0.566
Compound_110	CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCOCCCCCCCCCCCC)O	0.946	0.085	0.027	0.439	0.395	0.364	0.991	0.029	0.681	0.841	0.417
Compound_111	CCCCCCCCCCCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.216	0.783	0.908	0.871	0.426	0.905	0.566
Compound_112	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.216	0.783	0.908	0.871	0.426	0.905	0.566
Compound_113	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.281	0.898	0.908	0.871	0.426	0.905	0.566
Compound_114	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.281	0.898	0.908	0.871	0.426	0.905	0.566
Compound_115	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.281	0.898	0.908	0.871	0.426	0.905	0.566
Compound_116	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.413	0.894	0.898	0.871	0.426	0.905	0.566
Compound_117	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.909	0.135	0.069	0.622	0.413	0.894	0.898	0.871	0.426	0.905	0.566
Compound_118	CCCCCCCCCCCCOCCOCC(=O)O	0.848	0.047	0.019	0.36	0.111	0.431	0.976	0.336	0.396	0.912	0.395
Compound_119	CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N	0.083	0.078	0.003	0.19	0.022	0.05	0.074	0.002	0.378	0.006	0.028
Compound_120	CCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.706	0.389	0.009	0.401	0.134	0.098	0.977	0.645	0.441	0.032	0.194
Compound_121	CCCCCCCCCCCCOC(=O)C(CCCC)CC	0.875	0.012	0.172	0.684	0.087	0.055	0.999	0.565	0.634	0.997	0.905
Compound_122	CCCCCCCCCCC(CO)O	0.907	0.227	0.05	0.548	0.13	0.098	0.93	0.035	0.197	0.444	0.219
Compound_123	CCCCCCCCCCCC1=NCCN1CCO	0.227	0.323	0.39	0.55	0.02	0.433	0.155	0.397	0.914	0.206	0.169
Compound_124	CCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.353	0.39	0.004	0.472	0.051	0.537	0.254	0.297	0.394	0.42	0.454
Compound_125	CCCCCCCCCCCC[n+]1ccc2c(c1)cccc2	0.925	0.53	0.876	0.696	0.043	0.898	0.011	0.997	0.95	0.599	0.466
Compound_126	CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_127	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_128	CCCCCCCCCCCCOC(=O)C1CCC(=O)N1	0.072	0.316	0.076	0.41	0.083	0.058	0.173	0.123	0.415	0.393	0.136
Compound_129	CCOc1ccccc1C=C(c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)C#N	0.666	0.722	0.976	0.639	0.735	0.874	0.998	0.867	0.562	0.123	0.962
Compound_130	CCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.772	0.698	0.018	0.478	0.045	0.679	0.96	0.571	0.356	0.659	0.451
Compound_131	NC(C(=O)O)CC(C)C	0.007	0.026	0.132	0.141	0.011	0.0	0.001	0.004	0.039	0.001	0.015
Compound_132	CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO	0.7	0.104	0.179	0.6	0.098	0.846	0.665	0.133	0.066	0.196	0.216
Compound_133	CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(N)C	0.618	0.089	0.117	0.546	0.221	0.064	0.415	0.701	0.3	0.981	0.273
Compound_134	OCCC(OP(=O)(O)O)CCO	0.629	0.188	0.011	0.256	0.053	0.044	0.057	0.005	0.118	0.685	0.208
Compound_135	OC(=O)CC(=O)O	0.458	0.053	0.052	0.203	0.117	0.048	0.023	0.836	0.583	0.006	0.242
Compound_136	OCN1C(=O)NC(=O)C1(C)C	0.059	0.257	0.016	0.248	0.026	0.049	0.005	0.062	0.281	0.0	0.285
Compound_137	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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_138	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1CCC(=O)N1)C(C)C	0.065	0.425	0.027	0.317	0.062	0.045	0.007	0.039	0.423	0.457	0.036
Compound_139	CC1CCC(C(C1)OC(=O)c1ccccc1O)C(C)C	0.795	0.482	0.036	0.626	0.793	0.646	0.748	0.098	0.264	0.958	0.388
Compound_140	OP1(=O)OP(=O)(O)OP(=O)(O1)O	0.827	0.226	0.051	0.259	0.615	0.348	0.121	0.018	0.736	0.184	0.243
Compound_141	COc1ccc(c(n1)N)N	0.673	0.298	0.955	0.505	0.07	0.209	0.16	0.791	0.853	0.215	0.241
Compound_142	CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)OC	0.967	0.045	0.237	0.609	0.419	0.087	0.999	0.947	0.406	0.999	0.934
Compound_143	C[NH2+][C@@H](C(=O)[O-])CC(=O)[O-]	0.013	0.066	0.156	0.296	0.048	0.001	0.005	0.22	0.303	0.074	0.239
Compound_144	CCCCCCCCCCCCCCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.071	0.044	1.0	0.93	0.288	0.994	0.862
Compound_145	COC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C	0.808	0.453	0.196	0.523	0.559	0.525	0.89	0.942	0.455	0.984	0.541
Compound_146	COC(=O)C1(C)CCCC2(C1CC=C1C2CCC(C1)C(C)C)C	0.942	0.554	0.576	0.632	0.802	0.417	0.805	0.987	0.233	0.998	0.232
Compound_147	OCCOC[C@H]1O[C@@H](OC)C(C(C1OCCO)OCCO)OCCO	0.703	0.239	0.084	0.438	0.093	0.228	0.151	0.635	0.247	0.191	0.036
Compound_148	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1OC(OC)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCCCCCCC=CCCCCCCCC	0.912	0.477	0.081	0.703	0.492	0.322	0.772	0.933	0.425	0.62	0.721
Compound_149	CCCCCCCC/C=C/CCCCCCCC1=NC(CO1)(C)CO	0.792	0.439	0.207	0.671	0.161	0.455	0.865	0.696	0.5	0.021	0.573
Compound_150	CCCCCCC(CCCCCCCCCCC(=O)OC)O	0.753	0.042	0.055	0.588	0.094	0.077	0.985	0.84	0.184	0.624	0.284
Compound_151	COC(=O)c1cccnc1	0.178	0.246	0.745	0.5	0.007	0.013	0.045	0.001	0.126	0.024	0.151
Compound_152	CCCCCC[C@H](CC=CCCCCCCCC(=O)OC)O	0.951	0.068	0.12	0.596	0.4	0.106	0.982	0.987	0.234	0.899	0.418
Compound_153	Cc1ccc2c(c1O)cccc2	0.836	0.767	0.887	0.612	0.362	0.446	0.626	0.99	0.888	0.999	0.951
Compound_154	OCCOc1ccc(c(c1)NC)N(=O)=O	0.721	0.321	0.973	0.569	0.701	0.34	0.012	0.871	0.191	0.218	0.746
Compound_155	Nc1ccc2c(c1)OCO2	0.531	0.445	0.989	0.578	0.179	0.499	0.973	0.951	0.647	0.932	0.854
Compound_156	Oc1ccc2c(c1)OCO2	0.853	0.57	0.935	0.632	0.538	0.165	0.962	0.311	0.639	0.633	0.657
Compound_157	CCCCCCCCCCCCCCOCCOC(=O)CCCCCCCCCCCCC	0.945	0.04	0.185	0.77	0.134	0.121	1.0	0.59	0.399	0.997	0.762
Compound_158	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC	0.939	0.012	0.185	0.77	0.217	0.159	0.998	0.59	0.399	0.997	0.775
Compound_159	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC	0.939	0.012	0.185	0.77	0.217	0.159	0.998	0.59	0.399	0.997	0.775
Compound_160	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_161	CCCCCCCCCCCCCC(=O)N(CCO)CCO	0.455	0.077	0.144	0.542	0.029	0.733	0.588	0.166	0.058	0.033	0.193
Compound_162	CCCCCCCCCCCCCC(=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_163	CCCCCCCCCCCCCC(=O)NCC(O)C	0.075	0.082	0.007	0.287	0.021	0.2	0.017	0.118	0.267	0.013	0.033
Compound_164	CCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_165	CCCCCCCCCCCCCC(=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_166	CCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_167	CCCCCCCCCCCCCCNCCC(=O)[O-]	0.175	0.112	0.021	0.358	0.046	0.06	0.197	0.106	0.423	0.345	0.205
Compound_168	CCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.341	0.082	0.019	0.155	0.075	0.15	0.951	0.049	0.272	0.038	0.167
Compound_169	CCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.706	0.389	0.009	0.401	0.134	0.098	0.977	0.645	0.441	0.032	0.194
Compound_170	CCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.875	0.012	0.172	0.684	0.087	0.055	0.999	0.565	0.634	0.997	0.905
Compound_171	CCCCCCCCCCCCCCOC(=O)C(O)C	0.857	0.037	0.037	0.704	0.112	0.317	0.983	0.51	0.466	0.759	0.625
Compound_172	CCCCCCCCCCCCCCOC(=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_173	CC[NH+](c1ccc(c(c1)C)N)CC	0.214	0.386	0.886	0.442	0.034	0.2	0.005	0.874	0.475	0.917	0.628
Compound_174	Oc1cc2ccccc2cc1O	0.958	0.696	0.952	0.571	0.898	0.178	0.997	0.99	0.873	0.993	0.974
Compound_175	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(C)C	0.934	0.0	0.325	0.714	0.08	0.11	0.995	0.772	0.212	0.956	0.899
Compound_176	CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(C)C	0.934	0.0	0.325	0.714	0.08	0.11	0.995	0.772	0.212	0.956	0.899
Compound_177	OC1CC(O)C2(C(=CCC3C2CCC2(C3CC3C2C(C)C2(O3)CCC(=C)CO2)C)C1)C	0.929	0.99	0.017	0.692	0.968	0.89	0.027	0.995	0.547	0.989	0.395
Compound_178	CCNc1ccc(cc1N(=O)=O)C(=O)[O-]	0.733	0.263	0.921	0.403	0.374	0.086	0.006	0.766	0.422	0.381	0.696
Compound_179	NCCCCC(C(=O)NC1C(C)SCC2NC(=O)C(NC(=O)C(NC1=O)C)C(C)SCC(NC(=O)C(NC2=O)Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)O)CCCCN)C(C)C)Cc1cnc[nH]1)C(CC)C)CO)NC(=O)C(NC(=O)C(NC(=O)C1CSC(C)C(NC(=O)C(NC(=O)C2CSC(C)C(NC(=O)C3CSCC(NC(=O)C(=CC)NC(=O)C(C(CC)C)N)C(=O)NC(C(CC)C)C(=O)NC(=C)C(=O)NC(C(=O)N3)CC(C)C)C(=O)N3C(C(=O)NCC(=O)N2)CCC3)CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCSC)CC(C)C)CC(=O)N)CCSC	0.498	0.613	0.003	0.362	0.661	0.653	0.04	0.637	0.407	0.483	0.774
Compound_180	OCCOc1ccc(c(c1)N(=O)=O)N	0.658	0.315	0.933	0.546	0.776	0.415	0.744	0.886	0.259	0.23	0.735
Compound_181	COc1cc(ccc1O)N(=O)=O	0.905	0.216	0.783	0.665	0.603	0.298	0.991	0.892	0.637	0.984	0.932
Compound_182	Nc1ccc(c(c1)N)N(=O)=O	0.987	0.19	0.963	0.561	0.495	0.146	0.935	0.996	0.841	0.977	0.911
Compound_183	OCCNc1ccc(cc1N(=O)=O)OC	0.485	0.348	0.834	0.432	0.648	0.284	0.0	0.522	0.322	0.088	0.642
Compound_184	O=N(=O)c1ccc(c(c1)N)N	0.968	0.203	0.975	0.542	0.129	0.312	0.935	0.996	0.841	0.983	0.894
Compound_185	OCCNc1ccc(cc1N(=O)=O)O	0.689	0.246	0.597	0.36	0.776	0.181	0.0	0.677	0.289	0.148	0.712
Compound_186	O=N#N	0.916	0.245	0.719	0.509	0.599	0.078	0.37	0.776	0.947	0.998	0.769
Compound_187	COCCNc1ccc(cc1)N	0.626	0.37	0.872	0.485	0.069	0.149	0.006	0.126	0.503	0.005	0.184
Compound_188	CNc1ccc(c(c1)N(=O)=O)N	0.921	0.185	0.974	0.465	0.542	0.117	0.086	0.999	0.673	0.986	0.874
Compound_189	OCCNc1ccc(c(c1)N(=O)=O)NCCO	0.542	0.184	0.835	0.333	0.6	0.099	0.002	0.816	0.314	0.075	0.657
Compound_190	OCCN(c1ccc(c(c1)N(=O)=O)NC)C	0.71	0.249	0.906	0.437	0.551	0.078	0.001	0.951	0.28	0.002	0.534
Compound_191	CCCCCCCCCc1ccccc1OCCOCCO	0.244	0.336	0.313	0.557	0.298	0.479	0.692	0.884	0.497	0.938	0.543
Compound_192	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.558	0.889	0.921	0.98	0.417	0.846	0.401
Compound_193	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.295	0.461	0.852	0.884	0.497	0.965	0.606
Compound_194	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)O	0.337	0.464	0.412	0.347	0.41	0.161	0.965	0.095	0.87	0.954	0.481
Compound_195	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.343	0.572	0.852	0.884	0.497	0.965	0.606
Compound_196	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.605	0.919	0.921	0.98	0.417	0.846	0.401
Compound_197	CCCCCCCCCc1cccc(c1)OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCO	0.541	0.276	0.254	0.604	0.482	0.614	0.824	0.915	0.535	0.877	0.359
Compound_198	CCCCCCCCCc1cccc(c1OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O)CCCCCCCCC	0.394	0.474	0.412	0.332	0.39	0.234	0.866	0.099	0.903	0.945	0.484
Compound_199	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1CCCCCCCCC)O	0.434	0.619	0.418	0.373	0.896	0.466	0.726	0.095	0.712	0.897	0.602
Compound_200	C[C@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O	0.959	0.573	0.468	0.613	0.956	0.364	0.867	0.977	0.145	0.989	0.465
Compound_201	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_202	CCCCCCNC(=O)CCCCC(=O)N	0.076	0.032	0.005	0.169	0.006	0.016	0.0	0.039	0.428	0.078	0.177
Compound_203	CCCCCCCCCCCCCCCCCCCCCCCCCCC(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_204	OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCC	0.497	0.264	0.237	0.576	0.698	0.927	0.912	0.98	0.417	0.846	0.401
Compound_205	CCCCCCCCCCC(COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC	0.964	0.016	0.408	0.723	0.55	0.085	0.996	0.861	0.321	1.0	0.942
Compound_206	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.871	0.012	0.147	0.702	0.151	0.063	0.998	0.401	0.229	0.997	0.905
Compound_207	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.871	0.013	0.059	0.673	0.149	0.056	0.999	0.073	0.224	0.989	0.922
Compound_208	CCCCCCCCC=CCCCCCCCC(=O)NCCO	0.253	0.153	0.023	0.317	0.073	0.472	0.045	0.259	0.334	0.212	0.069
Compound_209	CCCCCCCCCCCCCCCC(C(NC(=O)CCCCCCCC=CCCCCCCCC)CO)O	0.362	0.196	0.007	0.408	0.073	0.251	0.022	0.465	0.278	0.05	0.059
Compound_210	CCCCCCCC/C=C/CCCCCCCC(=O)NCCCN(C)C	0.546	0.1	0.001	0.167	0.023	0.208	0.575	0.123	0.42	0.421	0.212
Compound_211	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(=O)(C)C	0.576	0.255	0.008	0.402	0.053	0.445	0.507	0.753	0.424	0.048	0.459
Compound_212	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.954	0.459	0.054	0.653	0.216	0.86	0.979	0.956	0.948	0.228	0.516
Compound_213	CCCCCCCCC=CCCCCCCCCOC(=O)C	0.985	0.009	0.235	0.728	0.61	0.232	1.0	0.986	0.96	1.0	0.942
Compound_214	CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_215	CCCCCCCCC=CCCCCCCCC[N+](CC(=O)[O-])(C)C	0.844	0.359	0.017	0.413	0.392	0.121	0.979	0.898	0.5	0.315	0.233
Compound_216	CCCCCCCC/C=C/CCCCCCCCOCC(CO)O	0.986	0.567	0.042	0.598	0.527	0.624	0.961	0.382	0.445	0.931	0.221
Compound_217	CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.938	0.009	0.414	0.726	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_218	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_219	NC(C(=O)O)CCCN	0.005	0.056	0.013	0.111	0.016	0.003	0.0	0.003	0.039	0.0	0.031
Compound_220	COc1cc(C=CC(=O)O[C@H]2CC[C@]34[C@H](C2(C)C)CC[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)CC[C@@H]3[C@@H](CCC=C(C)C)C)C)ccc1O	0.955	0.88	0.092	0.723	0.994	0.82	0.733	0.929	0.511	0.968	0.784
Compound_221	CCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.455	0.077	0.144	0.542	0.029	0.733	0.588	0.166	0.058	0.033	0.193
Compound_222	CCCCCCCCCCCCCCCC(=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_223	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_224	CCCCCCCCCCCCCCCC(=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_225	CCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_226	CCCCCCCCCCCCCCCCN(=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_227	CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)O	0.059	0.05	0.022	0.124	0.077	0.061	0.11	0.035	0.364	0.129	0.035
Compound_228	COc1ccc(cc1)C(=O)O	0.483	0.116	0.241	0.316	0.613	0.65	0.844	0.097	0.383	0.025	0.055
Compound_229	OCC(C(C(=O)NCCC(=O)O)O)(C)C	0.01	0.043	0.002	0.092	0.018	0.016	0.001	0.044	0.088	0.002	0.019
Compound_230	CCCCC(C(=O)OCCOCCOC(=O)C(CCCC)CC)CC	0.9	0.001	0.164	0.692	0.093	0.086	0.992	0.515	0.536	0.991	0.881
Compound_231	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC	0.946	0.011	0.221	0.748	0.217	0.159	0.998	0.597	0.372	0.996	0.871
Compound_232	CCCCCCCCCCCC(=O)OCCOCCO	0.894	0.07	0.09	0.727	0.157	0.336	0.907	0.625	0.184	0.842	0.332
Compound_233	CCCCCCCCC=CCCCCCCCC(=O)NCCOCCO	0.266	0.257	0.003	0.35	0.139	0.664	0.107	0.68	0.371	0.131	0.067
Compound_234	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.769	0.317	0.011	0.554	0.211	0.795	0.68	0.706	0.938	0.009	0.231
Compound_235	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCO	0.97	0.211	0.112	0.72	0.549	0.458	0.922	0.884	0.235	0.958	0.407
Compound_236	CCCCCC[C@H](CC=CCCCCCCCC(=O)OCCOCCO)O	0.966	0.303	0.069	0.712	0.528	0.282	0.887	0.875	0.175	0.94	0.154
Compound_237	CCCCCCCCCCCCCCCCCCN(CCO)CCO	0.544	0.067	0.13	0.118	0.063	0.723	0.727	0.347	0.95	0.103	0.251
Compound_238	CCCCCCCCCCCCCCCCCC(=O)OCCOCCO	0.894	0.07	0.09	0.727	0.157	0.336	0.907	0.625	0.184	0.842	0.332
Compound_239	CCCCCCCCCCCC(=O)NCCOCCO	0.065	0.167	0.002	0.318	0.044	0.42	0.073	0.195	0.363	0.041	0.054
Compound_240	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCO	0.964	0.211	0.112	0.72	0.549	0.458	0.922	0.884	0.235	0.958	0.407
Compound_241	OCCOC(C1OC(CC1OCCO)OCCO)COCCOC(=O)CCCCCCC/C=C/CCCCCCCC	0.863	0.462	0.094	0.714	0.533	0.432	0.969	0.951	0.241	0.991	0.293
Compound_242	OCCOC(C1OCC(C1OCCO)OCCO)COCCOC(=O)CCCCCCCCCCC	0.918	0.438	0.076	0.764	0.235	0.256	0.911	0.823	0.223	0.92	0.242
Compound_243	CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC	0.874	0.011	0.221	0.748	0.106	0.104	0.994	0.597	0.353	0.996	0.871
Compound_244	OCCOC(=O)CCCCCCCCCCCCCCC(C)C	0.856	0.051	0.407	0.66	0.142	0.173	0.991	0.601	0.042	0.627	0.267
Compound_245	CCCCCCCCCCCC(=O)OCCO	0.856	0.057	0.107	0.716	0.122	0.101	0.938	0.719	0.092	0.872	0.432
Compound_246	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCO	0.964	0.211	0.112	0.72	0.549	0.458	0.922	0.884	0.235	0.958	0.407
Compound_247	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.157	0.336	0.907	0.625	0.184	0.842	0.332
Compound_248	CCCCCCCCCCCCSCCOCCO	0.627	0.219	0.069	0.622	0.64	0.733	0.989	0.871	0.395	0.89	0.682
Compound_249	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.21	0.531	0.907	0.625	0.184	0.842	0.332
Compound_250	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.322	0.539	0.897	0.625	0.184	0.842	0.332
Compound_251	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.21	0.531	0.907	0.625	0.184	0.842	0.332
Compound_252	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.322	0.539	0.897	0.625	0.184	0.842	0.332
Compound_253	CC(=O)COC(COCC(=O)C)COCC(=O)C	0.784	0.052	0.367	0.616	0.038	0.115	0.991	0.154	0.523	0.957	0.918
Compound_254	CCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.065	0.144	0.92	0.494	0.204	0.901	0.571
Compound_255	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(CO)CO	0.89	0.06	0.107	0.724	0.155	0.219	0.886	0.575	0.099	0.677	0.765
Compound_256	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)(COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)C	0.969	0.62	0.836	0.68	0.972	0.802	0.752	0.964	0.267	0.994	0.301
Compound_257	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	0.934	0.011	0.296	0.715	0.184	0.229	0.995	0.76	0.187	0.965	0.924
Compound_258	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC	0.934	0.011	0.296	0.715	0.184	0.229	0.995	0.76	0.187	0.965	0.924
Compound_259	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.934	0.011	0.296	0.715	0.184	0.229	0.995	0.76	0.187	0.965	0.924
Compound_260	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)CO	0.976	0.14	0.14	0.734	0.521	0.316	0.922	0.879	0.162	0.989	0.873
Compound_261	[O-]P(=O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-]	0.892	0.221	0.615	0.548	0.626	0.344	0.442	0.983	0.902	0.936	0.828
Compound_262	FC12C(F)(C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.971	0.357	0.621	0.596	0.664	0.088	0.977	0.237	0.783	1.0	0.605
Compound_263	FC1(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F	0.96	0.224	0.622	0.611	0.453	0.06	0.972	0.193	0.626	0.999	0.191
Compound_264	FC(C1(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.952	0.356	0.621	0.594	0.376	0.052	0.979	0.181	0.551	0.999	0.639
Compound_265	Oc1ccc(cc1)C(=O)OCCOc1ccccc1	0.3	0.49	0.946	0.741	0.948	0.918	0.992	0.337	0.935	0.409	0.52
Compound_266	O=C(c1ccccc1)Oc1ccccc1	0.866	0.725	0.865	0.716	0.5	0.367	0.992	0.073	0.881	0.8	0.661
Compound_267	Oc1ccc(cc1)C(=O)Oc1ccccc1	0.891	0.711	0.665	0.761	0.958	0.898	0.991	0.033	0.942	0.106	0.551
Compound_268	[O-]C(=O)CSc1ccccc1	0.644	0.284	0.377	0.447	0.388	0.272	0.999	0.645	0.518	0.185	0.784
Compound_269	Oc1cc(O)cc(c1)O	0.934	0.213	0.846	0.578	0.281	0.043	0.889	0.358	0.851	0.07	0.206
Compound_270	O=C1OC2(c3c1cccc3)c1c(Oc3c2c(I)c(c(c3)I)[O-])cc(c(c1I)[O-])I	0.518	0.333	0.874	0.558	0.701	0.487	0.988	0.191	0.397	0.94	0.935
Compound_271	C=C	0.914	0.104	0.433	0.512	0.121	0.019	0.934	0.963	0.937	0.999	0.864
Compound_272	OCC(COCC(COCC(CO)O)O)O	0.731	0.145	0.039	0.391	0.168	0.317	0.073	0.002	0.157	0.629	0.236
Compound_273	CCCCCCCCC=CCCCCCCCC(=O)OC(CCOCCC(O)O)O	0.986	0.223	0.058	0.635	0.236	0.378	0.762	0.968	0.176	0.984	0.312
Compound_274	CCCCCCCC/C=C/CCCCCCCCOC(COCC(CO)O)CO	0.968	0.479	0.028	0.567	0.526	0.66	0.823	0.229	0.327	0.954	0.212
Compound_275	OCC(CCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O)O	0.862	0.213	0.048	0.65	0.155	0.317	0.585	0.04	0.022	0.818	0.097
Compound_276	OCC(CCCCCCCCCC=CCCCC(C(C(C(C(=O)OCC(CO)O)CC(CO)O)CC(CO)O)CC(CO)O)CC(CO)O)O	0.932	0.349	0.048	0.595	0.868	0.198	0.646	0.351	0.144	0.927	0.142
Compound_277	CCCC/C=C/C/C=C/CCCC/C=C/C=C/CCC(=O)O	0.71	0.031	0.289	0.134	0.512	0.119	0.996	0.195	0.363	0.995	0.298
Compound_278	COC(=O)CC[C@@H](C(=O)O)N	0.006	0.052	0.019	0.253	0.034	0.007	0.002	0.036	0.26	0.001	0.047
Compound_279	OCC[N+](C/C=C/C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C)C)(CCO)CCO	0.098	0.154	0.017	0.509	0.243	0.11	0.48	0.837	0.741	0.007	0.177
Compound_280	C=CC[N+](CC=C)(C)C	0.297	0.322	0.181	0.641	0.173	0.02	0.025	0.969	0.122	0.223	0.25
Compound_281	OC=C	0.88	0.115	0.135	0.48	0.094	0.058	0.901	0.703	0.743	0.898	0.87
Compound_282	[O-]S(=O)OO	0.849	0.116	0.363	0.376	0.574	0.205	0.196	0.842	0.839	0.986	0.237
Compound_283	[O-]C#N	0.874	0.269	0.237	0.551	0.641	0.076	0.457	0.977	0.852	0.997	0.905
Compound_284	[O-]S(=O)S(=O)(=O)[O-]	0.872	0.126	0.37	0.359	0.597	0.126	0.572	0.841	0.583	0.989	0.45
Compound_285	[O-]S(=O)[O-]	0.885	0.124	0.37	0.368	0.553	0.073	0.822	0.841	0.895	1.0	0.256
Compound_286	O=c1n(Cl)c(=O)[n-]c(=O)n1Cl	0.425	0.298	0.69	0.536	0.495	0.098	0.148	0.088	0.808	0.284	0.65
Compound_287	COC(COCC(O)C)C	0.611	0.13	0.033	0.434	0.093	0.104	0.675	0.215	0.283	0.2	0.456
Compound_288	CCCCCCCCCCCCCCOCCCOC(=O)CC	0.972	0.04	0.202	0.777	0.119	0.111	0.999	0.913	0.358	0.997	0.83
Compound_289	CCCCCCCCCCCCCCOCCCO	0.941	0.192	0.069	0.602	0.119	0.435	0.969	0.633	0.26	0.943	0.61
Compound_290	OCCCOCC[N+](CC)(CC)C	0.055	0.317	0.007	0.538	0.048	0.029	0.006	0.018	0.048	0.006	0.193
Compound_291	CCCCCCCCCCCCCCCCOCCCO	0.941	0.192	0.069	0.602	0.119	0.435	0.969	0.633	0.26	0.943	0.61
Compound_292	CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.259	0.127	0.036	0.356	0.039	0.079	0.047	0.114	0.482	0.097	0.016
Compound_293	CCCCCCCCC=CCCCCCCCCOCCCO	0.987	0.305	0.075	0.609	0.444	0.549	0.977	0.861	0.332	0.986	0.657
Compound_294	CCCCCCCCCCCCCCCCCCOCC(O)C	0.91	0.117	0.037	0.597	0.204	0.624	0.977	0.602	0.489	0.942	0.705
Compound_295	CCCCCCCCCCCCCCCCCC(=O)OCCCO	0.874	0.116	0.107	0.708	0.087	0.127	0.97	0.432	0.129	0.939	0.274
Compound_296	CCCCCCCCC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CCCCCCCC	0.983	0.086	0.517	0.721	0.488	0.113	0.997	0.97	0.384	1.0	0.942
Compound_297	CCCCCCCC/C=C/CCCCCCCC(=O)OCCCO	0.973	0.246	0.132	0.712	0.387	0.183	0.971	0.841	0.167	0.993	0.38
Compound_298	CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(=O)C)C)C1)C	0.963	1.0	0.052	0.696	0.905	0.903	0.011	0.953	0.18	0.999	0.087
Compound_299	CC(CCCC(C)C)CCCC(CCCC(C)C)C	0.993	0.076	0.763	0.456	0.145	0.132	0.999	0.815	0.303	0.997	0.749
Compound_300	OC(=O)C1CCCN1	0.0	0.224	0.019	0.117	0.036	0.002	0.001	0.016	0.076	0.0	0.05
Compound_301	CCCCOC(CO)C	0.687	0.124	0.051	0.535	0.084	0.087	0.695	0.395	0.439	0.87	0.797
Compound_302	CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C	0.948	0.011	0.231	0.751	0.129	0.098	0.999	0.068	0.365	0.968	0.899
Compound_303	CC(CCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC(C)C)C)C	0.952	0.01	0.633	0.699	0.191	0.059	0.997	0.089	0.094	0.881	0.829
Compound_304	CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)C	0.952	0.011	0.231	0.751	0.129	0.098	0.999	0.068	0.254	0.968	0.899
Compound_305	CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC)C	0.952	0.011	0.231	0.751	0.129	0.098	0.999	0.068	0.254	0.968	0.899
Compound_306	CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCC)C	0.952	0.011	0.231	0.751	0.129	0.098	0.999	0.068	0.254	0.968	0.899
Compound_307	CCCCCCCCCCCCCCCCC(C(=O)[O-])O	0.777	0.024	0.05	0.313	0.059	0.105	0.969	0.798	0.059	0.9	0.226
Compound_308	CC(CCCCCCCCCCCCCCC(=O)OCC(O)C)C	0.861	0.032	0.256	0.682	0.139	0.122	0.981	0.411	0.041	0.52	0.395
Compound_309	CCCCCCCCCCCCCC(=O)OCC(O)C	0.861	0.029	0.056	0.737	0.151	0.216	0.982	0.416	0.097	0.864	0.516
Compound_310	CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)C	0.963	0.082	0.11	0.723	0.538	0.308	0.978	0.935	0.151	0.98	0.624
Compound_311	CCCCCCC(CC=CCCCCCCCC(=O)OCC(O)C)O	0.962	0.128	0.118	0.7	0.528	0.282	0.887	0.951	0.123	0.905	0.264
Compound_312	CCCCCCCCCCCCCCCC(N1CCCC1=O)C=C	0.788	0.464	0.258	0.596	0.124	0.518	0.993	0.766	0.571	0.994	0.652
Compound_313	O=Cc1c(COP(=O)(O)O)cnc(c1O)C	0.234	0.317	0.008	0.19	0.093	0.363	0.079	0.02	0.464	0.037	0.258
Compound_314	CCCCCCCCCCCCCCCC(=O)OCc1cnc(c(c1COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C	0.638	0.526	0.61	0.516	0.059	0.239	0.032	0.519	0.354	0.932	0.847
Compound_315	CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CCNC(=O)CCCCCCCCCCCCCCCCC)(CCC#N)CC	0.135	0.275	0.027	0.365	0.109	0.229	0.112	0.334	0.399	0.039	0.466
Compound_316	OCC[N+](CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(C)C	0.025	0.218	0.0	0.316	0.012	0.049	0.001	0.003	0.22	0.0	0.144
Compound_317	C[n+]1c(C=CNc2ccccc2)occ1C	0.407	0.44	0.723	0.577	0.041	0.178	0.011	0.962	0.511	0.402	0.647
Compound_318	CC[n+]1c(C=CNc2ccc(cn2)Br)cccc1C	0.393	0.602	0.411	0.59	0.288	0.685	0.001	0.346	0.438	0.467	0.13
Compound_319	CCCCCCCCCCCCCCCCCC[N+](CCOCCO)(CCOCCO)CCOCCO	0.34	0.263	0.096	0.637	0.121	0.856	0.74	0.517	0.381	0.038	0.214
Compound_320	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)OCCCCCCCCCCCCCC)(C)C	0.168	0.241	0.004	0.366	0.056	0.043	0.371	0.043	0.4	0.004	0.155
Compound_321	CCCCCCCCCCCCCCOC(=O)C[N+](CCCNC(=O)CCCCCCCC=CCC=CCCCCC)(C)C	0.484	0.288	0.005	0.398	0.176	0.087	0.428	0.785	0.403	0.026	0.188
Compound_322	CCCCCCC[n+]1c(C)csc1C=c1scc(n1CCCCCCC)C	0.522	0.489	0.005	0.153	0.177	0.727	0.73	0.3	0.823	0.904	0.53
Compound_323	CCCCCCCC/C=C/CCCCCCCC(=O)OC(CN(CC(O)C)CC[N+](CC(OC(=O)CCCCCCCCC=CCCCCCCC)C)(CC(O)C)C)C	0.27	0.174	0.002	0.315	0.316	0.117	0.052	0.239	0.207	0.07	0.32
Compound_324	CC(=O)Oc1cccc(c1)O	0.827	0.166	0.685	0.71	0.834	0.019	0.4	0.064	0.261	0.127	0.023
Compound_325	CCCCCC=CCC=CCCCCCCCC(=O)OCC=C(C=CC=C(/C=C/C1=C(C)CCCC1(C)C)C)C	0.931	0.341	0.94	0.487	0.79	0.773	0.983	0.987	0.366	1.0	0.851
Compound_326	O=CC(C(C(C(O)C)O)O)O	0.396	0.137	0.054	0.447	0.05	0.39	0.033	0.072	0.22	0.37	0.353
Compound_327	CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C	0.563	0.704	0.104	0.524	0.172	0.149	0.03	0.518	0.491	0.725	0.456
Compound_328	CCCCCC[C@H](CC=CCCCCCCCC(=O)N(CCO)CCO)O	0.786	0.169	0.125	0.628	0.066	0.595	0.186	0.186	0.064	0.139	0.112
Compound_329	CCCCCCC(C/C=C/CCCCCCCC(=O)NCCO)O	0.364	0.196	0.015	0.336	0.052	0.2	0.016	0.313	0.284	0.1	0.034
Compound_330	CCCCCC[C@H](CC=CCCCCCCCC(=O)NCCCN(C)C)O	0.519	0.118	0.001	0.137	0.026	0.268	0.004	0.374	0.368	0.027	0.16
Compound_331	O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O	0.904	0.451	0.112	0.497	0.932	0.249	0.865	0.941	0.283	0.649	0.584
Compound_332	[O-][Br](=O)=O	0.912	0.179	0.732	0.566	0.646	0.079	0.912	0.855	0.952	0.999	0.731
Compound_333	CCCCOCCOCC(=O)O	0.569	0.036	0.017	0.328	0.082	0.132	0.506	0.194	0.335	0.912	0.367
Compound_334	CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_335	CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.313	0.372	0.234	0.376	0.063	0.076	0.031	0.225	0.726	0.001	0.231
Compound_336	CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.294	0.372	0.234	0.376	0.048	0.056	0.003	0.225	0.68	0.001	0.231
Compound_337	CCCCCCCC1=NCCN1CCOCCC(=O)[O-]	0.31	0.409	0.135	0.432	0.041	0.082	0.004	0.383	0.786	0.587	0.538
Compound_338	CCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_339	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.085	0.275	0.999	0.921	0.058	0.993	0.353
Compound_340	CCCCCCCCCCCCCCCCOCCOCC(=O)[O-]	0.944	0.024	0.033	0.463	0.076	0.269	0.999	0.858	0.701	0.997	0.916
Compound_341	CCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.897	0.085	0.207	0.389	0.099	0.25	0.997	0.957	0.271	0.998	0.273
Compound_342	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)OS(=O)(=O)[O-])C)C	0.995	0.94	0.311	0.534	0.838	0.894	0.043	0.819	0.086	0.998	0.393
Compound_343	CC(=O)N[C@H]1[C@H](O)O[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O)OS(=O)(=O)O	0.238	0.513	0.0	0.301	0.123	0.453	0.002	0.06	0.187	0.55	0.408
Compound_344	O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O	0.269	0.114	0.016	0.243	0.076	0.341	0.007	0.508	0.086	0.028	0.881
Compound_345	CC(c1ccc(c2c(c1)c(C)cc2S(=O)(=O)[O-])C)C	0.632	0.45	0.623	0.428	0.413	0.631	0.82	0.946	0.261	0.989	0.216
Compound_346	[O-]P1(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-]	0.877	0.235	0.615	0.558	0.797	0.444	0.442	0.985	0.902	0.878	0.533
Compound_347	[O-]S(=O)S(=O)[O-]	0.867	0.142	0.37	0.378	0.615	0.116	0.572	0.841	0.895	1.0	0.567
Compound_348	OCS(=O)(=O)[O-]	0.685	0.086	0.075	0.347	0.287	0.226	0.157	0.646	0.294	0.077	0.302
Compound_349	[O-][I](=O)=O	0.899	0.259	0.732	0.566	0.666	0.092	0.74	0.855	0.741	0.999	0.541
Compound_350	CC(CCCCCCCCCCCCCCC(=O)OC(C(=O)[O-])C)C	0.914	0.009	0.372	0.283	0.032	0.051	0.997	0.923	0.164	0.949	0.903
Compound_351	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-]	0.962	0.065	0.039	0.475	0.175	0.714	0.999	0.867	0.093	0.994	0.374
Compound_352	CCCCCCCCCCCC1=[N+](CCN1CCO)CC(=O)[O-]	0.291	0.342	0.046	0.336	0.063	0.171	0.131	0.587	0.835	0.019	0.238
Compound_353	CCCCCCCCCCC[C+]1N(CCO)CCN1CC(CS(=O)(=O)[O-])[O-]	0.162	0.426	0.069	0.252	0.085	0.439	0.065	0.647	0.376	0.082	0.435
Compound_354	CCCCCCCCCCCC(=O)NCCN(CCC(=O)[O-])CCO	0.039	0.108	0.004	0.085	0.024	0.089	0.002	0.24	0.317	0.044	0.281
Compound_355	CCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.936	0.009	0.071	0.287	0.04	0.047	0.997	0.461	0.212	0.986	0.946
Compound_356	CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]	0.179	0.117	0.02	0.213	0.012	0.097	0.009	0.895	0.391	0.245	0.341
Compound_357	CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.662	0.01	0.137	0.541	0.072	0.124	0.952	0.921	0.484	0.987	0.315
Compound_358	[O-]S(=O)OS(=O)[O-]	0.869	0.13	0.37	0.368	0.615	0.116	0.572	0.841	0.902	0.996	0.253
Compound_359	CCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.016	0.264	0.13	0.782	0.38	0.721	0.366
Compound_360	CCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.022	0.545	0.943	0.782	0.38	0.721	0.366
Compound_361	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.843	0.308	0.328	0.434	0.056	0.618	0.97	0.81	0.386	0.957	0.365
Compound_362	CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.022	0.545	0.943	0.782	0.38	0.721	0.366
Compound_363	CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.697	0.338	0.236	0.393	0.022	0.545	0.943	0.782	0.38	0.721	0.366
Compound_364	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.653	0.029	0.174	0.461	0.034	0.047	0.929	0.99	0.407	0.898	0.277
Compound_365	Cc1ccc2c(c1S(=O)(=O)[O-])cccc2	0.91	0.59	0.932	0.471	0.267	0.56	0.972	0.986	0.456	0.991	0.109
Compound_366	CCCCCCCCCCCCC[C+]1N(CCO)CCN1CC(=O)[O-]	0.266	0.37	0.06	0.147	0.237	0.161	0.198	0.605	0.272	0.029	0.28
Compound_367	CCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O	0.481	0.052	0.075	0.383	0.157	0.279	0.899	0.279	0.347	0.949	0.283
Compound_368	CCCCCCCCCc1ccccc1Oc1ccccc1CCCCCCCCC	0.587	0.571	0.602	0.589	0.464	0.859	0.864	0.968	0.955	0.999	0.979
Compound_369	CC(CC(c1ccc(cc1)OCCOCCOCCS(=O)(=O)[O-])(C)C)(C)C	0.189	0.451	0.424	0.551	0.271	0.942	0.98	0.966	0.426	0.826	0.321
Compound_370	CC(c1ccc(cc1)OCCOS(=O)(=O)[O-])(CC(C)(C)C)C	0.567	0.457	0.264	0.513	0.518	0.915	0.994	0.967	0.254	0.898	0.328
Compound_371	CCCCCCCC/C=C/CCCCCCCC(=O)NCCN(CC(CS(=O)(=O)[O-])O)CCO	0.172	0.165	0.013	0.168	0.046	0.383	0.009	0.665	0.394	0.131	0.368
Compound_372	CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.782	0.033	0.433	0.524	0.197	0.245	0.963	0.982	0.362	1.0	0.314
Compound_373	CCCCCCCCC=CCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.981	0.045	0.168	0.378	0.167	0.108	0.999	0.969	0.246	0.999	0.966
Compound_374	CCCCCCCC/C=C/CCCCCCCCOS(=O)(=O)[O-]	0.994	0.024	0.052	0.421	0.319	0.346	0.999	0.942	0.081	0.999	0.35
Compound_375	[O-]C(=O)CCNC(=O)C(CC(O)(C)C)O	0.019	0.039	0.004	0.241	0.009	0.018	0.001	0.195	0.202	0.001	0.078
Compound_376	Clc1ccc(cc1)C(=O)N(CC(=O)N1CCCCC1c1onc(n1)c1cccc(c1)Cl)C	0.297	0.603	0.691	0.78	0.649	0.799	0.055	0.732	0.353	0.037	0.101
Compound_377	CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(=O)[O-]	0.262	0.301	0.178	0.245	0.009	0.205	0.172	0.429	0.661	0.047	0.043
Compound_378	CCCCCCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCO	0.044	0.098	0.005	0.094	0.041	0.054	0.004	0.233	0.301	0.05	0.252
Compound_379	CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.936	0.009	0.071	0.287	0.037	0.091	0.999	0.461	0.212	0.986	0.946
Compound_380	[O-]S(=O)(=O)[S-]	0.886	0.112	0.395	0.359	0.593	0.115	0.828	0.841	0.583	0.997	0.452
Compound_381	CCCCCCCCCCCCCOCCOCC(=O)[O-]	0.944	0.024	0.033	0.463	0.076	0.269	0.999	0.858	0.701	0.997	0.916
Compound_382	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_383	CC1(C)Nc2ccc(c3c2c(N1)ccc3)N=Nc1ccc(c2c1cccc2)N=Nc1ccccc1	0.899	0.721	0.995	0.675	0.938	0.94	0.203	0.857	0.65	0.049	0.577
Compound_384	Cc1ccc(c(c1)C)n1c(=O)c2cccc3c2c(c1=O)ccc3N	0.61	0.793	0.988	0.573	0.743	0.931	0.987	0.984	0.572	0.006	0.278
Compound_385	OCCOC(C(C(OCCO)COCCO)OCCO)C(OCCO)COCCO	0.826	0.149	0.084	0.481	0.286	0.704	0.289	0.438	0.128	0.773	0.517
Compound_386	CC(CCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)OC(=O)CCCCCCCCCCCCCCC(C)C)C	0.844	0.501	0.198	0.691	0.271	0.08	0.967	0.296	0.104	0.7	0.474
Compound_387	CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)O)CO	0.81	0.482	0.011	0.606	0.284	0.142	0.935	0.209	0.138	0.789	0.591
Compound_388	CCCCCCCCCCCCCCCC(=O)OCC([C@H]1OC[C@H]([C@@H]1O)O)O	0.769	0.441	0.048	0.73	0.188	0.134	0.903	0.737	0.203	0.961	0.087
Compound_389	OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C	0.878	0.429	0.136	0.544	0.337	0.134	0.967	0.214	0.079	0.411	0.811
Compound_390	CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.455	0.077	0.144	0.542	0.029	0.733	0.588	0.166	0.058	0.033	0.193
Compound_391	CCCCCCCCCCCCCCCCCC(=O)N(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC	0.3	0.131	0.242	0.696	0.057	0.349	0.962	0.294	0.292	0.773	0.387
Compound_392	CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC	0.102	0.1	0.008	0.396	0.045	0.092	0.328	0.115	0.387	0.208	0.057
Compound_393	CCCCCCCCCCCCCCCCCC(=O)NCC(O)C	0.075	0.082	0.007	0.287	0.021	0.2	0.017	0.118	0.267	0.013	0.033
Compound_394	CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO	0.094	0.14	0.008	0.073	0.013	0.246	0.029	0.074	0.447	0.015	0.118
Compound_395	CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](CC)CC	0.087	0.146	0.053	0.285	0.007	0.133	0.142	0.035	0.379	0.655	0.426
Compound_396	CCCCCCCCCCCCCCCCCC(=O)NCCNCCO	0.038	0.114	0.001	0.17	0.02	0.177	0.007	0.024	0.29	0.023	0.075
Compound_397	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.239	0.378	0.014	0.331	-0.0	0.428	0.571	0.109	0.424	0.018	0.101
Compound_398	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_399	CCCCCCCCCCCCCCCCCC(=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_400	CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1	0.14	0.243	0.011	0.095	0.011	0.158	0.121	0.081	0.392	0.064	0.104
Compound_401	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.258	0.31	0.005	0.321	0.005	0.174	0.521	0.063	0.381	0.064	0.18
Compound_402	CCCCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_403	CCCCCCCCCCCCCCCCCCN(=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_404	CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC	0.979	0.019	0.315	0.548	0.106	0.117	1.0	0.667	0.693	1.0	0.929
Compound_405	CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CC(C)C	0.063	0.044	0.053	0.19	0.043	0.034	0.318	0.047	0.368	0.236	0.053
Compound_406	CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.341	0.082	0.019	0.155	0.075	0.15	0.951	0.049	0.272	0.038	0.167
Compound_407	CCCCCCCCCCCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.706	0.179	0.199	1.0	0.861	0.94	0.998	0.912
Compound_408	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_409	CCCCCCCCCCCCCCCCCCOC(=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_410	CCCCCCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.706	0.389	0.009	0.401	0.134	0.098	0.977	0.645	0.441	0.032	0.194
Compound_411	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.449	0.998	0.912
Compound_412	CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])(CC(=O)[O-])O	0.706	0.053	0.053	0.533	0.206	0.22	0.995	0.673	0.668	0.436	0.906
Compound_413	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_414	CCCCCCCCCCCCCCCCC(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_415	CCCCCCCCCCCCCCCCCCOC(=O)[C@]1(C)CC[C@]2([C@H](C1)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)O)C	0.939	0.863	0.111	0.65	0.962	0.922	0.547	0.981	0.286	0.942	0.269
Compound_416	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC	0.874	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.357	0.998	0.912
Compound_417	CCCCCCCCCCCCCCCCCC1=NCCN1CCO	0.227	0.323	0.39	0.55	0.02	0.433	0.155	0.397	0.914	0.206	0.169
Compound_418	CCCCCCCCCCCCCCCCCCOC(=O)C(O)C	0.857	0.037	0.037	0.704	0.112	0.317	0.983	0.51	0.466	0.759	0.625
Compound_419	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.937	0.009	0.414	0.726	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_420	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_421	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCC)CCCCCC	0.871	0.013	0.087	0.706	0.156	0.097	0.999	0.086	0.282	0.989	0.922
Compound_422	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.309	0.323	0.023	0.365	0.118	0.402	0.065	0.039	0.412	0.669	0.112
Compound_423	CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1(OC(=O)CCCCCCCCCCC)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)CO	0.688	0.644	0.007	0.578	0.388	0.268	0.947	0.192	0.302	0.433	0.683
Compound_424	CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1(OC(=O)CCCCCCCCCCCCCCCCC)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)CO	0.688	0.644	0.007	0.578	0.388	0.268	0.947	0.192	0.302	0.433	0.683
Compound_425	CC(=O)OC[C@@]1(O[C@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C	0.82	0.384	0.209	0.628	0.512	0.481	0.996	0.111	0.808	0.547	0.9
Compound_426	CCCCCCCCC=CCCCCCCCC(=O)OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.834	0.512	0.031	0.615	0.376	0.374	0.896	0.383	0.394	0.94	0.175
Compound_427	CCCCCC=CCC=CCCCCCCCC(=O)O[C@]1(O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO	0.883	0.594	0.012	0.606	0.63	0.351	0.942	0.705	0.308	0.902	0.249
Compound_428	CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1(OC(=O)C)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)CO	0.682	0.644	0.007	0.578	0.388	0.268	0.947	0.254	0.371	0.433	0.683
Compound_429	CCCCCCCCCCCCCCN(CCC)CCC	0.923	0.303	0.063	0.112	0.052	0.843	0.992	0.775	0.962	0.94	0.469
Compound_430	O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC1C(COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)OC(C(C1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O	0.952	0.611	0.964	0.597	0.992	0.693	0.726	0.622	0.394	0.064	0.918
Compound_431	CCCCCCCCCCCCOCCCCCCCCCCCC	0.95	0.079	0.176	0.615	0.094	0.338	1.0	0.913	0.879	1.0	0.849
Compound_432	CCCCCCCCCCCCOCCN(CCO)CCO	0.147	0.083	0.082	0.17	0.084	0.365	0.825	0.32	0.869	0.1	0.234
Compound_433	CCCCCCCCCCCCCCOC(=O)C(N)C	0.324	0.062	0.052	0.548	0.08	0.038	0.333	0.039	0.548	0.78	0.305
Compound_434	CCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.826	0.322	0.255	0.415	0.415	0.36	0.993	0.941	0.473	0.995	0.122
Compound_435	CCOC(=O)N1CSC[C@H]1C(=O)O	0.045	0.365	0.037	0.274	0.23	0.041	0.386	0.163	0.024	0.682	0.544
Compound_436	O=C1C(=Cc2ccc(cc2)/C=C\2/C3CCC(C2=O)(C3(C)C)CS(=O)(=O)O)C2C(C1(CC2)CS(=O)(=O)O)(C)C	0.802	0.897	0.105	0.381	0.628	0.679	0.233	0.876	0.37	0.995	0.332
Compound_437	CC(=O)OCC1CCCO1	0.841	0.229	0.06	0.663	0.131	0.028	0.996	0.487	0.823	0.994	0.664
Compound_438	OCCN(CCO)CCN(CCO)CCO	0.036	0.046	0.176	0.099	0.045	0.027	0.001	0.839	0.761	0.148	0.329
Compound_439	CCCCCCCCCCCCCCCCCCN(C(=O)C(S(=O)(=O)[O-])CC(=O)[O-])C(C(=O)[O-])CC(=O)[O-]	0.59	0.183	0.235	0.396	0.2	0.276	0.888	0.749	0.402	0.853	0.363
Compound_440	NC(=O)CSCC(=O)N	0.243	0.043	0.023	0.235	0.064	0.01	0.055	0.008	0.41	0.085	0.648
Compound_441	OCC(CS)O	0.285	0.223	0.051	0.388	0.174	0.3	0.87	0.035	0.295	0.105	0.292
Compound_442	O=C1CSCCN1	0.056	0.249	0.014	0.222	0.021	0.007	0.002	0.076	0.293	0.081	0.088
Compound_443	NCCS(=S)(=O)O	0.066	0.097	0.005	0.161	0.074	0.121	0.001	0.003	0.28	0.002	0.373
Compound_444	c1ccc2c(c1)Sc1c(C2)cccc1	0.344	0.567	0.808	0.574	0.648	0.475	0.896	0.72	0.804	0.997	0.39
Compound_445	OCCOC(=O)CCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C	0.952	0.532	0.241	0.573	0.5	0.132	0.876	0.178	0.37	0.721	0.683
Compound_446	CCCCCC=CCC=CCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C	0.777	0.442	0.492	0.598	0.574	0.352	0.213	0.723	0.157	1.0	0.684
Compound_447	Nc1ccc(c(c1)C)N	0.799	0.28	0.956	0.574	0.031	0.219	0.969	0.947	0.886	0.906	0.693
Compound_448	CCCCCCCCCCCCCOCCO	0.917	0.231	0.069	0.611	0.155	0.633	0.957	0.889	0.369	0.892	0.62
Compound_449	CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_450	CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_451	CCCCCCCCCCCCCOC(=O)c1ccccc1O	0.805	0.381	0.151	0.661	0.53	0.429	0.893	0.4	0.415	0.877	0.786
Compound_452	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_453	CCCCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCC	0.939	0.12	0.879	0.627	0.165	0.284	0.977	0.251	0.782	0.993	0.832
Compound_454	CCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CC	0.756	0.216	0.378	0.322	0.927	0.34	0.926	0.207	0.418	0.898	0.111
Compound_455	CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.992	0.087	0.434	0.753	0.559	0.111	0.998	0.892	0.298	1.0	0.927
Compound_456	CCCCC(COC(=O)C(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)O)CC	0.735	0.034	0.056	0.668	0.181	0.204	0.967	0.344	0.606	0.603	0.693
Compound_457	CCCCCCC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.914	0.093	0.041	0.756	0.246	0.257	0.867	0.127	0.107	0.828	0.408
Compound_458	CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCC)O	0.841	0.034	0.105	0.719	0.319	0.232	0.995	0.777	0.628	0.603	0.693
Compound_459	CC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C)C	0.966	0.004	0.633	0.737	0.152	0.048	0.996	0.089	0.066	0.947	0.836
Compound_460	CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCCC)O	0.841	0.034	0.105	0.719	0.319	0.232	0.995	0.777	0.628	0.603	0.693
Compound_461	CC(C(=O)OC(COC(=O)C(O)C)COC(=O)C(O)C)O	0.618	0.065	0.039	0.655	0.105	0.177	0.15	0.106	0.222	0.171	0.742
Compound_462	CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_463	CCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCC)O	0.841	0.034	0.105	0.719	0.319	0.232	0.995	0.777	0.628	0.603	0.693
Compound_464	CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC	0.967	0.054	0.346	0.604	0.205	0.123	0.999	0.849	0.73	0.997	0.686
Compound_465	CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC	0.924	0.303	0.054	0.105	0.086	0.854	0.992	0.775	0.962	0.94	0.469
Compound_466	CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC	0.982	0.087	0.388	0.738	0.559	0.111	0.998	0.892	0.214	1.0	0.927
Compound_467	CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC	0.984	0.11	0.277	0.715	0.559	0.111	0.998	0.88	0.166	0.999	0.94
Compound_468	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CC	0.929	0.011	0.229	0.63	0.101	0.1	0.992	0.643	0.328	0.965	0.924
Compound_469	CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)CC	0.936	0.011	0.229	0.63	0.166	0.12	0.992	0.643	0.206	0.965	0.924
Compound_470	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_471	CCCCCCCCC=CCCCCCCCCOP(=O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC	0.982	0.064	0.369	0.651	0.526	0.099	0.999	0.957	0.792	0.999	0.71
Compound_472	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_473	CCCCCCC(C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)COC(=O)CCCCCCC/C=C/CC(CCCCCC)O)O	0.984	0.194	0.088	0.722	0.639	0.291	0.864	0.863	0.169	0.979	0.537
Compound_474	CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	0.967	0.054	0.346	0.604	0.205	0.123	0.999	0.849	0.73	0.997	0.686
Compound_475	CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_476	COC1=C(OC)C(=O)C(=C(C1=O)CC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C	0.717	0.454	0.774	0.478	0.067	0.275	0.979	0.928	0.626	0.911	0.902
Compound_477	CCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_478	CCCCCCCC/C=C/C(=O)N(CCO)CCO	0.611	0.104	0.487	0.609	0.244	0.486	0.217	0.2	0.547	0.196	0.216
Compound_479	OCCNC(=O)CCCCCCCCC=C	0.1	0.186	0.024	0.347	0.085	0.155	0.002	0.698	0.25	0.088	0.358
Compound_480	OCCCCCCCCCCCCCCCCCCCCCCCC(C)C	0.928	0.097	0.477	0.527	0.084	0.144	0.977	0.164	0.06	0.264	0.356
Compound_481	[O-]S(=O)CO	0.671	0.093	0.039	0.268	0.296	0.195	0.718	0.352	0.462	0.532	0.512