Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CN(C(=O)N)C	0.214	0.063	0.034	0.223	0.109	0.018	0.012	0.025	0.628	0.208	0.082
Compound_2	O=C(NCc1ccccc1)NCCCCCCNC(=O)NCc1ccccc1	0.26	0.304	0.519	0.285	0.09	0.879	0.578	0.131	0.701	0.02	0.13
Compound_3	CCCCN(C(=O)N(CCCC)CCCC)CCCC	0.202	0.11	0.238	0.565	0.047	0.315	0.777	0.127	0.701	0.977	0.297
Compound_4	O=C(N(C)C)Nc1ccc(c(c1)NC(=O)N(C)C)C	0.575	0.317	0.824	0.56	0.374	0.438	0.037	0.054	0.721	0.023	0.136
Compound_5	CC(C(NC(=O)N)NC(=O)N)C	0.038	0.143	0.041	0.295	0.023	0.03	0.0	0.01	0.487	0.025	0.142
Compound_6	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl	0.943	0.658	0.994	0.784	0.597	0.898	0.981	0.963	0.533	0.96	0.918
Compound_7	CCO[Si](OCC)(OCC)CCCNC(=O)N	0.256	0.09	0.099	0.267	0.032	0.127	0.001	0.11	0.518	0.005	0.13
Compound_8	O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl	0.97	0.329	0.977	0.779	0.348	0.618	0.914	0.299	0.528	0.656	0.087
Compound_9	NC(=O)N	0.463	0.098	0.047	0.244	0.484	0.02	0.031	0.029	0.785	0.259	0.243
Compound_10	NCCCCCCCCCCC(=O)O	0.058	0.056	0.048	0.065	0.031	0.018	0.001	0.0	0.043	0.001	0.041
Compound_11	OC(=O)CCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_12	CCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_13	CCCCCCCCCC(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_14	CCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_15	C=C[Si](O[Si](O[Si](C=C)(C)C)(O[Si](C=C)(C)C)O[Si](C=C)(C)C)(C)C	0.822	0.096	0.156	0.662	0.293	0.375	0.99	0.997	0.873	0.995	0.56
Compound_16	CCCCCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.921	0.217	0.031	0.52	0.144	0.371	0.999	0.978	0.987	0.995	0.694
Compound_17	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.729	0.086	0.086	0.517	0.328	0.464	0.962	0.653	0.903	0.988	0.483
Compound_18	C[SiH](O[Si](C)(C)C)O[Si](C)(C)C	0.729	0.061	0.057	0.486	0.23	0.464	0.945	0.615	0.903	0.993	0.56
Compound_19	OC(=O)CCCCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_20	CCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_21	S=C(Nc1ccccc1)Nc1ccccc1	0.844	0.669	0.595	0.44	0.32	0.954	0.979	0.681	0.976	0.998	0.813
Compound_22	CCNC(=S)NCC	0.071	0.087	0.153	0.369	0.012	0.033	0.001	0.332	0.819	0.995	0.427
Compound_23	CCCCNC(=S)NCCCC	0.047	0.089	0.054	0.36	0.023	0.102	0.0	0.366	0.821	0.993	0.283
Compound_24	NC(=S)N	0.476	0.099	0.4	0.46	0.463	0.039	0.123	0.727	0.979	0.968	0.519
Compound_25	O=S1(=O)CCCC1	0.69	0.545	0.213	0.493	0.129	0.064	0.937	0.987	0.685	0.991	0.337
Compound_26	CCCCCCCCCCOC1CCS(=O)(=O)C1	0.595	0.463	0.048	0.532	0.193	0.171	0.96	0.968	0.614	0.93	0.293
Compound_27	O=S1(=O)CC=CC1	0.693	0.617	0.213	0.614	0.176	0.03	0.959	0.978	0.782	0.998	0.384
Compound_28	CN(C(=S)SSC(=S)N(C)C)C	0.567	0.114	0.068	0.478	0.341	0.898	0.189	0.859	0.96	1.0	0.649
Compound_29	S=C(N(Cc1ccccc1)Cc1ccccc1)SSC(=S)N(Cc1ccccc1)Cc1ccccc1	0.467	0.582	0.513	0.515	0.568	0.988	0.973	0.028	0.744	1.0	0.598
Compound_30	N#CSCSC#N	0.761	0.303	0.12	0.492	0.565	0.429	0.727	0.949	0.923	0.998	0.909
Compound_31	CCO[Si](OCC)(OCC)CCCSC#N	0.876	0.102	0.283	0.545	0.236	0.187	0.994	0.848	0.44	0.933	0.833
Compound_32	C[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C	0.749	0.069	0.036	0.519	0.328	0.464	0.962	0.702	0.903	0.967	0.543
Compound_33	CCCCCCCCCCCCCCOC(=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_34	CCCCCCCCCCCCCC(=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_35	CCCCCCCCCCCCCC(=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_36	CC(CCCC(CCCC(C)C)C)CCCCC(CCCC(CCCC(C)C)C)C	0.993	0.076	0.763	0.456	0.145	0.132	0.999	0.815	0.299	0.997	0.749
Compound_37	CC(C(C(C(S)(C)C)(C)C)(C)C)C	0.868	0.059	0.081	0.463	0.174	0.121	0.919	0.07	0.832	0.999	0.746
Compound_38	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCC(C)C	0.241	0.639	0.863	0.567	0.876	0.728	0.998	0.93	0.417	0.587	0.65
Compound_39	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.729	0.061	0.036	0.519	0.328	0.464	0.962	0.702	0.903	0.993	0.56
Compound_40	CCO[Si](=O)O	0.765	0.061	0.216	0.283	0.037	0.108	0.885	0.007	0.354	0.756	0.408
Compound_41	CCCO[Si](OCCC)(OCCC)OCCC	0.75	0.082	0.397	0.549	0.086	0.13	0.995	0.261	0.671	0.985	0.656
Compound_42	CCO[Si](OCC)(OCC)OCC	0.872	0.088	0.741	0.524	0.064	0.112	0.925	0.152	0.461	0.996	0.69
Compound_43	CC(=O)O[Si](OC(=O)C)(OC(=O)C)C	0.865	0.057	0.414	0.518	0.04	0.08	0.781	0.942	0.929	0.217	0.632
Compound_44	CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C	0.88	0.065	0.123	0.498	0.068	0.089	0.886	0.974	0.908	0.301	0.64
Compound_45	C=C[Si](OC(=O)C)(OC(=O)C)OC(=O)C	0.822	0.068	0.544	0.64	0.214	0.1	0.964	1.0	0.911	0.993	0.711
Compound_46	C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1	0.092	0.314	0.332	0.574	0.178	0.514	0.108	0.968	0.497	0.036	0.092
Compound_47	CC(O[Si](OC(=O)C)(OC(=O)C)C)C	0.891	0.08	0.414	0.51	0.126	0.107	0.994	0.942	0.956	0.224	0.644
Compound_48	CCC[Si](OC)(OC)OC	0.921	0.043	0.232	0.573	0.049	0.087	0.998	0.928	0.823	0.86	0.72
Compound_49	CCCCCCCC[Si](OC)(OC)OC	0.989	0.035	0.251	0.591	0.127	0.118	0.999	0.987	0.977	0.985	0.78
Compound_50	CO[Si](OC)(OC)C	0.909	0.06	0.511	0.52	0.164	0.118	0.975	0.513	0.885	0.965	0.725
Compound_51	CO[Si](CC(C)C)(OC)OC	0.921	0.042	0.607	0.487	0.041	0.086	0.994	0.205	0.636	0.739	0.629
Compound_52	CO[Si](CC(CC(C)(C)C)C)(OC)OC	0.947	0.047	0.101	0.389	0.11	0.116	0.993	0.21	0.732	0.733	0.612
Compound_53	CO[SiH](OC)OC	0.908	0.055	0.32	0.51	0.233	0.159	0.959	0.796	0.885	0.992	0.675
Compound_54	CCCCCCCC[Si](OCC)(OCC)OCC	0.991	0.027	0.587	0.58	0.118	0.139	0.999	0.946	0.826	0.997	0.721
Compound_55	CCO[Si](OCC)(OCC)C	0.896	0.021	0.816	0.514	0.037	0.095	0.959	0.163	0.461	0.986	0.734
Compound_56	CCO[Si](OCC)(OCC)CCCN=C=O	0.82	0.123	0.697	0.52	0.072	0.13	0.777	0.677	0.358	0.465	0.422
Compound_57	CCO[Si](CC(C)C)(OCC)OCC	0.952	0.055	0.838	0.482	0.071	0.093	0.995	0.079	0.289	0.997	0.688
Compound_58	CCO[Si](CC(CC(C)(C)C)C)(OCC)OCC	0.963	0.065	0.324	0.383	0.104	0.135	0.993	0.104	0.449	0.997	0.664
Compound_59	CCC[Si](Cl)(Cl)Cl	0.886	0.259	0.287	0.673	0.085	0.181	0.997	0.942	0.899	0.998	0.734
Compound_60	CCCCCCCC[Si](Cl)(Cl)Cl	0.989	0.357	0.309	0.705	0.247	0.229	0.995	0.986	1.003	1.0	0.761
Compound_61	C[Si](Cl)(Cl)Cl	0.887	0.201	0.428	0.635	0.575	0.255	0.966	0.935	0.941	0.997	0.688
Compound_62	CC[Si](Cl)(Cl)Cl	0.877	0.228	0.287	0.641	0.065	0.177	0.966	0.93	0.899	0.999	0.72
Compound_63	C=C[Si](Cl)(Cl)Cl	0.887	0.181	0.705	0.698	0.184	0.231	0.947	0.991	0.916	1.0	0.717
Compound_64	CC(C[Si](Cl)(Cl)Cl)C	0.886	0.272	0.75	0.636	0.067	0.155	0.991	0.91	0.74	0.987	0.666
Compound_65	CCCCCCCCCCCCCCCC[Si](OC)(OC)OC	0.991	0.035	0.251	0.591	0.166	0.154	1.0	0.987	0.977	0.985	0.78
Compound_66	CO[Si](C=C)(OC)OC	0.9	0.071	0.581	0.62	0.092	0.095	0.985	0.991	0.855	0.994	0.767
Compound_67	CCO[Si](OCC)(OCC)C=C	0.87	0.078	0.853	0.621	0.198	0.104	0.984	0.978	0.44	0.999	0.774
Compound_68	CO[SiH](OC)C	0.909	0.069	0.402	0.5	0.234	0.142	0.959	0.453	0.885	0.996	0.854
Compound_69	CO[Si](OC)(C)C	0.912	0.034	0.294	0.523	0.164	0.101	0.975	0.616	0.885	0.973	0.877
Compound_70	CO[Si](C(C)C)(CC(C)C)OC	0.928	0.035	0.626	0.517	0.07	0.113	0.996	0.309	0.636	0.804	0.825
Compound_71	CCO[Si](OCC)(C)C	0.9	0.036	0.639	0.503	0.037	0.101	0.959	0.182	0.461	0.989	0.888
Compound_72	C[SiH](Cl)Cl	0.887	0.242	0.428	0.597	0.575	0.255	0.966	0.99	0.941	0.999	0.67
Compound_73	C=C[Si](Cl)(Cl)C	0.89	0.237	0.85	0.686	0.175	0.27	0.955	0.973	0.914	0.998	0.695
Compound_74	C[Si](Cl)(Cl)C	0.89	0.263	0.721	0.63	0.321	0.212	0.966	0.905	0.941	0.989	0.658
Compound_75	C=C[Si](Cl)(C)C	0.903	0.279	0.625	0.711	0.125	0.243	0.969	0.994	0.914	0.993	0.599
Compound_76	C[SiH](Cl)C	0.903	0.279	0.523	0.623	0.255	0.194	0.97	0.99	0.941	0.996	0.664
Compound_77	O=C=NCCC[Si](OC)(OC)OC	0.713	0.094	0.403	0.516	0.032	0.124	0.509	0.952	0.726	0.006	0.376
Compound_78	ClCCC[Si](OCC)(OCC)OCC	0.959	0.158	0.561	0.687	0.353	0.174	1.0	0.977	0.029	0.991	0.85
Compound_79	ClCCC[Si](OC)(OC)C	0.971	0.147	0.183	0.662	0.191	0.185	1.0	0.994	0.064	0.677	0.942
Compound_80	C=C[Si](N[Si](C=C)(C)C)(C)C	0.751	0.085	0.607	0.602	0.159	0.461	0.679	0.995	0.892	0.901	0.491
Compound_81	O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cccc2	0.671	0.682	0.973	0.498	0.741	0.385	0.993	0.516	0.873	0.114	0.997
Compound_82	Clc1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cc(cc1)Cl	0.696	0.632	0.943	0.465	0.804	0.632	0.998	0.164	0.873	0.464	0.998
Compound_83	C1CCCN1	0.03	0.213	0.034	0.383	0.014	0.014	0.001	0.035	0.442	0.099	0.163
Compound_84	C1CCN2C(=NCCC2)CC1	0.218	0.376	0.167	0.49	0.178	0.442	0.003	0.531	0.814	0.49	0.063
Compound_85	[O-]S(=O)(=O)CCC[n+]1ccccc1	0.315	0.394	0.323	0.455	0.028	0.509	0.425	0.732	0.32	0.066	0.378
Compound_86	Cc1ccncc1	0.372	0.183	0.686	0.551	0.006	0.062	0.006	0.036	0.913	0.709	0.106
Compound_87	C=Cc1ccncc1	0.536	0.269	0.423	0.575	0.008	0.096	0.012	0.471	0.891	0.884	0.312
Compound_88	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_89	Cc1cccnc1	0.347	0.183	0.562	0.528	0.005	0.061	0.006	0.015	0.763	0.709	0.106
Compound_90	Cc1ccccn1	0.287	0.17	0.563	0.559	0.025	0.132	0.042	0.964	0.926	0.694	0.189
Compound_91	C=Cc1ccccn1	0.585	0.258	0.584	0.534	0.032	0.195	0.064	0.978	0.901	0.876	0.426
Compound_92	Clc1cccc(n1)C(Cl)(Cl)Cl	0.699	0.238	0.475	0.597	0.718	0.778	0.984	0.982	0.157	0.935	0.143
Compound_93	Clc1ccccn1	0.61	0.199	0.439	0.545	0.058	0.107	0.37	0.704	0.983	0.906	0.082
Compound_94	Clc1nc(Cl)c(cc1Cl)Cl	0.831	0.225	0.956	0.659	0.384	0.579	0.995	0.968	0.975	0.968	0.198
Compound_95	c1cccnc1	0.529	0.185	0.574	0.509	0.017	0.083	0.224	0.035	0.972	0.928	0.422
Compound_96	c1cc2ccc3c4c2c(c1)ccc4ccc3	0.988	0.649	0.977	0.594	0.843	0.737	0.998	0.924	0.972	1.0	0.952
Compound_97	Clc1ccc(c(c1)N(=O)=O)N=Nc1c(C)[nH]n2c1nc1ccccc1c2=O	0.553	0.689	0.938	0.394	0.696	0.628	0.95	0.946	0.511	0.158	0.737
Compound_98	CCC(=O)OCc1ccccc1	0.371	0.135	0.529	0.639	0.058	0.034	0.987	0.99	0.204	0.882	0.659
Compound_99	CCOC(=O)CC	0.746	0.024	0.552	0.7	0.055	0.017	0.997	0.759	0.166	0.937	0.924
Compound_100	COC(=O)CCS	0.415	0.052	0.097	0.493	0.093	0.09	0.998	0.851	0.552	0.239	0.741
Compound_101	CCCCOC(=O)CCS	0.514	0.05	0.079	0.713	0.108	0.19	0.999	0.635	0.731	0.995	0.807
Compound_102	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)CC	0.576	0.043	0.071	0.565	0.257	0.209	0.983	0.66	0.587	0.834	0.899
Compound_103	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS	0.463	0.056	0.099	0.641	0.568	0.711	0.959	0.721	0.638	0.702	0.918
Compound_104	OC(=O)CCS	0.166	0.135	0.023	0.138	0.143	0.098	0.942	0.388	0.486	0.002	0.248
Compound_105	OCC(COC(=O)C(CO)(C)C)(C)C	0.767	0.025	0.073	0.61	0.183	0.083	0.251	0.135	0.339	0.498	0.406
Compound_106	OCC(C(=O)O)(CO)C	0.534	0.059	0.015	0.163	0.078	0.022	0.216	0.316	0.134	0.36	0.124
Compound_107	CCOCCC(=O)OCC	0.8	0.041	0.359	0.661	0.074	0.017	0.96	0.649	0.22	0.995	0.88
Compound_108	CC(C(=O)O)CSP(=S)(OCC(C)C)OCC(C)C	0.474	0.091	0.03	0.195	0.316	0.057	0.864	0.196	0.196	0.871	0.5
Compound_109	CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C	0.678	0.085	0.687	0.652	0.297	0.09	0.993	0.864	0.222	0.999	0.692
Compound_110	CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC	0.709	0.0	0.145	0.746	0.6	0.257	0.998	0.894	0.473	0.997	0.942
Compound_111	COC(=O)CCSCCC(=O)OC	0.469	0.012	0.163	0.548	0.279	0.036	0.996	0.968	0.339	0.958	0.935
Compound_112	CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	0.709	0.0	0.145	0.746	0.488	0.228	0.998	0.894	0.473	0.997	0.942
Compound_113	OC(=O)CCSCCC(=O)O	0.222	0.06	0.035	0.161	0.314	0.029	0.347	0.071	0.177	0.455	0.436
Compound_114	COc1cc(C=O)ccc1OC(=O)C(C)C	0.465	0.172	0.257	0.578	0.299	0.098	0.717	0.046	0.128	0.308	0.276
Compound_115	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_116	CC(C(=O)OCCOc1ccccc1)C	0.28	0.176	0.731	0.73	0.359	0.041	0.528	0.394	0.319	0.57	0.044
Compound_117	CC(C(=O)OCC(C(C(C)C)OC(=O)C(C)C)(C)C)C	0.836	0.025	0.199	0.592	0.136	0.034	0.988	0.306	0.164	0.102	0.776
Compound_118	CC(C(=O)O)C	0.402	0.046	0.055	0.165	0.054	0.002	0.94	0.104	0.057	0.09	0.516
Compound_119	OC(=O)C(C)(C)C	0.52	0.025	0.064	0.158	0.064	0.006	0.945	0.1	0.217	0.199	0.647
Compound_120	CCC(=O)OC(=O)CC	0.675	0.012	0.292	0.595	0.05	0.008	0.99	0.981	0.189	0.716	0.839
Compound_121	CCC(=O)O	0.416	0.034	0.046	0.155	0.062	0.005	0.962	0.079	0.031	0.068	0.249
Compound_122	CCC(OOC(=O)C(C)(C)C)(C)C	0.756	0.036	0.028	0.491	0.138	0.039	0.76	0.903	0.427	0.9	0.639
Compound_123	CO[Si](CCC#N)(OC)OC	0.943	0.063	0.13	0.524	0.133	0.165	0.983	0.958	0.692	0.01	0.751
Compound_124	N#CCC[Si](Cl)(Cl)Cl	0.91	0.259	0.168	0.658	0.303	0.291	0.98	0.962	0.753	0.964	0.802
Compound_125	N#CCCN(C)C	0.367	0.187	0.003	0.148	0.077	0.031	0.013	0.233	0.504	0.059	0.607
Compound_126	N#CC(O)(C)C	0.725	0.1	0.104	0.478	0.085	0.021	0.544	0.411	0.583	0.103	0.744
Compound_127	N#CC(N=NC(C#N)(C)C)(C)C	0.52	0.107	0.028	0.51	0.149	0.087	0.417	0.949	0.731	0.836	0.714
Compound_128	CCC#N	0.894	0.237	0.165	0.509	0.147	0.038	0.94	0.9	0.748	0.94	0.852
Compound_129	CCCCC(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.458	0.62	0.005	0.28	0.133	0.86	0.047	0.895	0.498	0.593	0.613
Compound_130	COC(=O)CC(=O)OC	0.818	0.009	0.274	0.54	0.059	0.026	0.859	0.993	0.622	0.049	0.763
Compound_131	CCOC(=O)CC(=O)OCC	0.817	0.047	0.526	0.652	0.081	0.056	0.878	0.833	0.478	0.881	0.918
Compound_132	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_133	N#CC(=Cc1ccc(cc1C)N(CCOc1ccc(cc1)C1CCCCC1)CC)C#N	0.724	0.576	0.435	0.643	0.951	0.723	0.419	0.999	0.471	0.515	0.909
Compound_134	N#CCC#N	0.905	0.338	0.205	0.507	0.158	0.067	0.925	0.946	0.753	0.975	0.87
Compound_135	CC(N(=O)=O)C	0.615	0.063	0.386	0.495	0.053	0.156	0.31	0.909	0.78	0.998	0.85
Compound_136	COC(C)(C)C	0.842	0.042	0.054	0.492	0.018	0.012	0.901	0.551	0.845	0.984	0.847
Compound_137	CCOC(C)(C)C	0.843	0.045	0.158	0.518	0.027	0.033	0.886	0.18	0.654	0.99	0.904
Compound_138	CC(Br)C	0.881	0.098	0.523	0.623	0.156	0.026	0.995	0.99	0.837	0.998	0.851
Compound_139	CC(OC(C)C)C	0.833	0.095	0.402	0.503	0.029	0.026	0.99	0.801	0.872	0.997	0.856
Compound_140	CSC(SC)(C)C	0.751	0.073	0.294	0.523	0.352	0.21	0.996	0.616	0.767	0.996	0.785
Compound_141	CCOCCOC(C)(C)C	0.784	0.087	0.113	0.525	0.128	0.113	0.936	0.065	0.519	0.942	0.861
Compound_142	CCCN(=O)=O	0.622	0.086	0.253	0.522	0.049	0.098	0.602	0.88	0.858	0.681	0.794
Compound_143	ClCCCBr	0.93	0.063	0.292	0.616	0.382	0.088	0.997	0.953	0.116	0.999	0.96
Compound_144	CCCBr	0.861	0.058	0.287	0.634	0.156	0.022	0.995	0.982	0.799	1.0	0.92
Compound_145	ClCC(Cl)C	0.913	0.115	0.523	0.649	0.377	0.187	0.999	0.99	0.871	0.998	0.865
Compound_146	C=COCC(C)C	0.784	0.051	0.104	0.472	0.067	0.021	0.989	0.315	0.554	0.993	0.886
Compound_147	O=C(N(C)C)C(O)C	0.056	0.102	0.048	0.535	0.008	0.022	0.268	0.056	0.2	0.043	0.142
Compound_148	CSCCC=O	0.66	0.093	0.277	0.489	0.089	0.317	0.998	0.927	0.563	0.796	0.876
Compound_149	CCC=O	0.826	0.159	0.248	0.478	0.035	0.38	0.997	0.742	0.811	0.987	0.862
Compound_150	CCN1CCCCC1	0.387	0.312	0.038	0.088	0.005	0.062	0.008	0.513	0.523	0.499	0.045
Compound_151	C1CCCNC1	0.026	0.029	0.037	0.47	0.005	0.017	0.001	0.03	0.61	0.08	0.049
Compound_152	CN1CCN(CC1)C	0.169	0.267	0.036	0.105	0.005	0.006	0.003	0.727	0.727	0.008	0.019
Compound_153	N1CCNCC1	0.041	0.057	0.038	0.368	0.006	0.001	0.0	0.022	0.119	0.011	0.087
Compound_154	c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1	0.952	0.635	0.741	0.663	0.924	0.098	0.999	0.652	0.969	0.99	0.677
Compound_155	CCOP(OCC)OCC	0.9	0.101	0.661	0.514	0.041	0.01	0.971	0.274	0.461	0.998	0.627
Compound_156	CC(CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCCC(C)C)C	0.944	0.351	0.861	0.659	0.59	0.076	0.989	0.685	0.241	0.995	0.396
Compound_157	CCCCC(COP(Oc1ccccc1)Oc1ccccc1)CC	0.93	0.653	0.268	0.641	0.685	0.078	0.982	0.372	0.715	0.995	0.705
Compound_158	CCCCSP(SCCCC)SCCCC	0.83	0.127	0.163	0.569	0.223	0.065	0.991	0.558	0.78	1.0	0.816
Compound_159	CCCCSP(=O)(SCCCC)SCCCC	0.825	0.065	0.346	0.585	0.172	0.055	0.991	0.451	0.74	1.0	0.833
Compound_160	S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.959	0.628	0.923	0.652	0.925	0.126	0.999	0.684	0.963	0.976	0.71
Compound_161	CC(COP(=O)(OCC(C)C)OCC(C)C)C	0.842	0.121	0.236	0.517	0.08	0.037	0.992	0.111	0.472	0.991	0.571
Compound_162	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.936	0.056	0.171	0.55	0.093	0.088	0.999	0.141	0.511	0.998	0.681
Compound_163	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.952	0.658	0.923	0.652	0.887	0.089	0.999	0.684	0.845	0.955	0.75
Compound_164	COP(=O)(OC)OC	0.93	0.09	0.706	0.596	0.223	0.065	0.892	0.909	0.573	0.958	0.677
Compound_165	CCCCCCOP(=O)(OCCCCCC)OCCCCCC	0.911	0.054	0.346	0.604	0.103	0.102	0.999	0.849	0.71	0.997	0.686
Compound_166	CCOP(=O)(OCC)OCC	0.934	0.124	0.892	0.529	0.037	0.026	0.922	0.221	0.396	0.996	0.618
Compound_167	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1	0.969	0.629	0.933	0.65	0.971	0.535	0.999	0.724	0.591	0.31	0.724
Compound_168	ClCCOP(=O)(OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl)OCCCl	0.736	0.304	0.64	0.649	0.428	0.414	0.967	0.996	0.702	0.838	0.79
Compound_169	CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.901	0.599	0.92	0.69	0.987	0.564	0.978	0.823	0.625	0.589	0.704
Compound_170	COP(=O)(O)O	0.891	0.104	0.047	0.256	0.417	0.102	0.674	0.012	0.795	0.212	0.386
Compound_171	CCCCOP(=O)(Oc1ccccc1)OCCCC	0.864	0.44	0.81	0.696	0.29	0.018	0.987	0.647	0.644	0.959	0.515
Compound_172	CCCCOP(=O)(OCCCC)O	0.784	0.041	0.036	0.396	0.093	0.047	0.939	0.006	0.555	0.66	0.377
Compound_173	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.916	0.064	0.019	0.354	0.11	0.1	0.996	0.012	0.497	0.932	0.485
Compound_174	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.929	0.682	0.426	0.637	0.621	0.077	0.995	0.261	0.586	0.98	0.774
Compound_175	CCCCOP(=O)(OCCCC)OCCCC	0.827	0.047	0.346	0.585	0.08	0.042	0.996	0.451	0.596	0.985	0.642
Compound_176	CCCCCCCCP(=O)(O)O	0.88	0.053	0.04	0.342	0.659	0.384	0.985	0.058	0.959	0.84	0.294
Compound_177	CCCCCCCCCCCCCCCCCCP(=O)(OC)OC	0.958	0.056	0.302	0.576	0.648	0.602	1.0	0.974	0.883	0.985	0.757
Compound_178	COP(=O)(OC)C	0.864	0.082	0.294	0.536	0.401	0.083	0.959	0.722	0.753	0.965	0.708
Compound_179	OCNC(=O)CCP(=O)(OC)OC	0.093	0.06	0.036	0.311	0.23	0.295	0.002	0.145	0.28	0.001	0.269
Compound_180	OCCN(CP(=O)(OCC)OCC)CCO	0.26	0.086	0.334	0.161	0.163	0.059	0.003	0.214	0.71	0.028	0.375
Compound_181	OP(=O)(CN(CP(=O)(O)O)CP(=O)(O)O)O	0.464	0.114	0.003	0.073	0.483	0.19	0.012	0.022	0.672	0.035	0.283
Compound_182	OP(=O)(CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)O	0.439	0.122	0.002	0.086	0.303	0.229	0.909	0.006	0.552	0.06	0.314
Compound_183	OP(=O)(CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O)O	0.176	0.122	0.003	0.073	0.224	0.175	0.004	0.046	0.452	0.061	0.314
Compound_184	CC(P(=O)(O)O)(P(=O)(O)O)O	0.306	0.12	0.016	0.257	0.174	0.098	0.112	0.003	0.605	0.139	0.191
Compound_185	OCP(=O)(OCC)OCC	0.797	0.115	0.231	0.526	0.13	0.056	0.367	0.082	0.221	0.725	0.577
Compound_186	ClCCP(=O)(OCCCl)OCCCl	0.837	0.273	0.142	0.629	0.432	0.305	0.977	0.987	0.932	0.994	0.843
Compound_187	O=P(Oc1ccccc1)Oc1ccccc1	0.882	0.619	0.833	0.688	0.5	0.035	0.997	0.762	0.969	0.99	0.567
Compound_188	CCCCCCCCOP(=O)OCCCCCCCC	0.941	0.126	0.24	0.628	0.133	0.097	1.0	0.823	0.877	0.999	0.373
Compound_189	CCOP(OCC)O	0.892	0.07	0.121	0.401	0.049	0.011	0.91	0.003	0.354	0.91	0.366
Compound_190	CCCCOP(=O)OCCCC	0.768	0.096	0.221	0.61	0.076	0.036	0.999	0.328	0.723	0.995	0.315
Compound_191	c1ccc(cc1)P(c1ccccc1)c1ccccc1	0.665	0.482	0.736	0.557	0.947	0.412	1.0	0.853	0.979	0.998	0.835
Compound_192	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.628	0.348	0.681	0.52	0.927	0.098	1.0	0.197	0.957	0.999	0.783
Compound_193	Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl	0.973	0.582	0.688	0.721	0.093	0.465	0.837	0.759	0.724	0.991	0.995
Compound_194	Cc1ccc(cc1)O	0.829	0.12	0.81	0.654	0.238	0.452	0.167	0.456	0.778	0.682	0.087
Compound_195	COc1ccc(cc1)O	0.922	0.119	0.8	0.714	0.347	0.111	0.974	0.02	0.965	0.131	0.216
Compound_196	CCc1ccc(cc1)O	0.854	0.117	0.586	0.637	0.45	0.741	0.506	0.799	0.806	0.677	0.159
Compound_197	Nc1ccc(cc1)O	0.643	0.381	0.948	0.701	0.414	0.314	0.943	0.836	0.95	0.465	0.918
Compound_198	COc1cc(ccc1N=Nc1ccc(cc1)O)N=Nc1ccc(cc1)N(=O)=O	0.949	0.805	0.985	0.75	0.843	0.776	0.954	0.869	0.735	0.987	0.97
Compound_199	Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.735	0.516	0.452	0.686	0.468	0.661	0.576	0.434	0.582	0.756	0.348
Compound_200	Cc1cc(Cc2cc(C)c(c(c2)C)O)cc(c1O)C	0.767	0.601	0.596	0.552	0.699	0.984	0.061	0.951	0.897	0.99	0.887
Compound_201	CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.763	0.477	0.312	0.554	0.772	0.996	0.056	0.961	0.925	0.996	0.888
Compound_202	Oc1ccc(cc1C)C1(CCCCC1)c1ccc(c(c1)C)O	0.959	0.618	0.823	0.626	0.966	1.0	0.54	0.968	0.448	0.985	0.954
Compound_203	FC(C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)O)(F)F	0.973	0.717	0.8	0.726	0.991	0.955	0.996	0.919	0.614	0.848	0.983
Compound_204	CC(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O	0.978	0.789	0.709	0.631	0.998	1.0	0.95	0.855	0.652	0.721	0.918
Compound_205	CC(c1cc(c(cc1C)O)C(C)(C)C)CC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C	0.836	0.588	0.421	0.55	0.984	1.0	0.236	0.947	0.916	0.99	0.76
Compound_206	CC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C	0.837	0.472	0.443	0.581	0.822	0.991	0.42	0.928	0.866	0.997	0.945
Compound_207	CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C	0.961	0.512	0.722	0.686	0.682	0.707	0.993	0.984	0.476	0.996	0.989
Compound_208	C=CCc1cc(ccc1O)C(c1ccc(c(c1)CC=C)O)(C)C	0.924	0.477	0.917	0.714	0.905	0.995	0.382	0.999	0.276	0.97	0.555
Compound_209	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.976	0.629	0.722	0.637	0.948	0.983	0.981	0.957	0.711	0.747	0.875
Compound_210	Oc1ccc(cc1)C(c1ccccc1)(C)C	0.955	0.558	0.749	0.64	0.92	0.981	0.972	0.94	0.665	0.79	0.765
Compound_211	CCC(c1ccc(cc1)O)(C)C	0.87	0.105	0.399	0.586	0.743	0.902	0.823	0.145	0.755	0.776	0.264
Compound_212	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.923	0.085	0.458	0.575	0.743	0.902	0.823	0.151	0.654	0.65	0.124
Compound_213	Cc1cccc(c1)O	0.824	0.12	0.884	0.659	0.178	0.017	0.473	0.918	0.524	0.682	0.087
Compound_214	Nc1cccc(c1)O	0.774	0.364	0.955	0.706	0.428	0.061	0.992	0.871	0.367	0.465	0.924
Compound_215	CCCCCCCCSCc1cc(CSCCCCCCCC)c(c(c1)C)O	0.628	0.337	0.116	0.625	0.625	0.95	0.46	0.411	0.511	0.992	0.827
Compound_216	CCCc1ccc(c(c1)OC)O	0.675	0.166	0.359	0.671	0.484	0.075	0.966	0.507	0.547	0.905	0.435
Compound_217	CCCCC(COCC(COc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1C)C)c1ccc(cc1C)C)O)CC	0.716	0.614	0.058	0.679	0.927	0.826	0.802	0.769	0.431	0.315	0.816
Compound_218	Cc1cccc(c1O)C	0.544	0.093	0.436	0.577	0.088	0.209	0.121	0.887	0.829	0.948	0.343
Compound_219	CCCCCCCCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.87	0.368	0.103	0.585	0.371	0.98	0.062	0.97	0.975	0.998	0.908
Compound_220	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.57	0.051	0.536	0.582	0.279	0.927	0.041	0.9	0.94	0.988	0.5
Compound_221	CC(c1cccc(c1O)C(C)(C)C)(C)C	0.73	0.051	0.34	0.572	0.238	0.613	0.056	0.84	0.853	0.988	0.5
Compound_222	CCCCCCCCCCCCCCC(c1cc(C)cc(c1O)C)C	0.799	0.307	0.145	0.574	0.272	0.939	0.075	0.893	0.942	0.993	0.832
Compound_223	Cc1ccc(c(c1)C)O	0.671	0.093	0.937	0.661	0.202	0.79	0.09	0.953	0.782	0.948	0.343
Compound_224	Clc1ccc(c(c1)Cl)O	0.943	0.149	0.354	0.527	0.322	0.11	0.822	0.772	0.869	0.994	0.918
Compound_225	CCC(c1ccc(c(c1)C(CC)(C)C)O)(C)C	0.819	0.093	0.45	0.636	0.616	0.973	0.274	0.422	0.95	0.99	0.428
Compound_226	CC(c1cc(ccc1OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.588	0.514	0.727	0.586	0.91	0.698	0.479	0.854	0.904	0.991	0.723
Compound_227	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.821	0.051	0.312	0.591	0.44	0.952	0.265	0.592	0.914	0.988	0.5
Compound_228	Cc1cc(C)c(c(c1)C)O	0.625	0.084	0.731	0.575	0.109	0.677	0.103	0.893	0.83	0.982	0.43
Compound_229	Brc1cc(Br)c(c(c1)Br)O	0.948	0.134	0.452	0.507	0.668	0.72	0.994	0.969	0.389	0.996	0.929
Compound_230	Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O	0.592	0.536	0.536	0.572	0.782	0.993	0.069	0.935	0.95	0.98	0.774
Compound_231	CCCCCCCCCc1cc(C)cc(c1O)Cc1cc(C)cc(c1O)CCCCCCCCC	0.788	0.585	0.243	0.581	0.775	0.987	0.08	0.953	0.977	0.997	0.875
Compound_232	Cc1cc(C)c(c(c1)C(c1cc(C)cc(c1O)C)C(C)C)O	0.613	0.487	0.227	0.54	0.714	0.957	0.068	0.463	0.847	0.995	0.886
Compound_233	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.196	0.788	0.843	0.644	0.093	0.842	0.584	0.64	0.879	0.985	0.859
Compound_234	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(CC(C)(C)C)(C)C)n1nc2c(n1)cccc2	0.653	0.768	0.646	0.628	0.422	0.91	0.658	0.31	0.699	0.912	0.734
Compound_235	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.287	0.851	0.845	0.709	0.265	0.898	0.854	0.459	0.95	0.733	0.764
Compound_236	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)n1nc2c(n1)cccc2	0.644	0.775	0.825	0.689	0.492	0.887	0.754	0.789	0.851	0.955	0.792
Compound_237	CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C	0.342	0.724	0.58	0.64	0.285	0.901	0.563	0.142	0.714	0.928	0.79
Compound_238	Oc1ccc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.452	0.773	0.519	0.631	0.385	0.906	0.88	0.162	0.773	0.81	0.72
Compound_239	Cc1ccc(c(c1)C(C)(C)C)O	0.65	0.051	0.862	0.637	0.441	0.959	0.035	0.942	0.872	0.988	0.5
Compound_240	Cc1cc(C)c(c(c1)C(C)(C)C)O	0.473	0.051	0.536	0.564	0.279	0.927	0.041	0.9	0.954	0.988	0.5
Compound_241	O=C1OC(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.826	0.509	0.995	0.576	0.886	0.929	0.995	0.093	0.487	0.097	0.888
Compound_242	CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC	0.946	0.041	0.149	0.628	0.206	0.194	0.998	0.823	0.862	0.996	0.494
Compound_243	CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC	0.946	0.041	0.149	0.628	0.293	0.219	0.998	0.823	0.862	0.996	0.494
Compound_244	O=C(OC1CCC(CC1)C(C)(C)C)OOC(=O)OC1CCC(CC1)C(C)(C)C	0.938	0.604	0.066	0.479	0.569	0.347	0.77	0.424	0.62	0.397	0.399
Compound_245	CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC	0.895	0.022	0.1	0.566	0.146	0.164	0.995	0.118	0.673	0.992	0.5
Compound_246	CCC(OC(=O)OOC(=O)OC(CC)C)C	0.772	0.063	0.125	0.544	0.164	0.096	0.99	0.587	0.638	0.807	0.387
Compound_247	CC(OC(=O)OOC(=O)OC(C)C)C	0.768	0.08	0.271	0.532	0.135	0.097	0.996	0.809	0.833	0.724	0.358
Compound_248	CC(CC(C)(C)C)CC(=O)OOC(=O)CC(CC(C)(C)C)C	0.859	0.03	0.111	0.357	0.133	0.071	0.956	0.653	0.228	0.132	0.747
Compound_249	CC(C(=O)OOC(=O)C(C)C)C	0.733	0.05	0.243	0.506	0.085	0.031	0.972	0.643	0.092	0.693	0.84
Compound_250	Clc1ccc(c(c1)Cl)C(=O)OOC(=O)c1ccc(cc1Cl)Cl	0.811	0.366	0.768	0.705	0.804	0.621	0.93	0.685	0.713	0.981	0.899
Compound_251	CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC	0.945	0.039	0.203	0.583	0.099	0.064	0.996	0.953	0.107	0.986	0.868
Compound_252	CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC	0.945	0.039	0.203	0.583	0.099	0.064	0.996	0.953	0.107	0.986	0.868
Compound_253	CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C	0.761	0.47	0.739	0.569	0.267	0.281	0.715	0.265	0.658	0.911	0.945
Compound_254	CCC(OOC(CC)(C)C)(C)C	0.836	0.033	0.044	0.507	0.095	0.043	0.933	0.662	0.689	0.97	0.855
Compound_255	CC(OOC(C)(C)C)(C)C	0.856	0.064	0.174	0.506	0.096	0.047	0.926	0.658	0.819	0.98	0.869
Compound_256	CC(c1ccccc1)(OOC(C)(C)C)C	0.774	0.166	0.4	0.553	0.073	0.108	0.92	0.299	0.727	0.953	0.634
Compound_257	CCC(OOC1(CCCCC1)OOC(CC)(C)C)(C)C	0.917	0.286	0.031	0.479	0.127	0.111	0.997	0.663	0.528	0.96	0.424
Compound_258	CC(OOC1(CCCCC1)OOC(C)(C)C)(C)C	0.916	0.26	0.099	0.479	0.101	0.066	0.985	0.705	0.461	0.909	0.351
Compound_259	CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C	0.94	0.296	0.069	0.492	0.256	0.135	0.956	0.128	0.606	0.84	0.318
Compound_260	CC(C#CC(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.871	0.149	0.174	0.52	0.161	0.567	0.994	0.698	0.654	0.965	0.691
Compound_261	CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C	0.942	0.035	0.138	0.518	0.093	0.098	0.997	0.723	0.628	0.833	0.678
Compound_262	C[Si](O[Si](O[Si](C)(C)C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C	0.749	0.079	0.036	0.519	0.316	0.468	0.916	0.702	0.903	0.96	0.536
Compound_263	CCCCC(=O)OCC	0.689	0.003	0.551	0.723	0.035	0.012	0.997	0.592	0.193	0.998	0.912
Compound_264	COC(=O)C(CCC(=O)N(C)C)C	0.137	0.064	0.685	0.476	0.008	0.066	0.177	0.464	0.376	0.007	0.225
Compound_265	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_266	CCCC(C(=O)OCC)C	0.714	0.016	0.832	0.664	0.061	0.01	0.983	0.372	0.359	0.99	0.866
Compound_267	CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC	0.771	0.011	0.296	0.715	0.119	0.168	0.988	0.76	0.332	0.969	0.919
Compound_268	CCCCC(=O)O	0.344	0.022	0.173	0.119	0.042	0.002	0.945	0.073	0.315	0.043	0.068
Compound_269	COC(CC(N=NC(CC(OC)(C)C)(C#N)C)(C#N)C)(C)C	0.693	0.052	0.02	0.442	0.232	0.239	0.363	0.957	0.615	0.023	0.719
Compound_270	CC(CC(N=NC(C#N)(CC(C)C)C)(C#N)C)C	0.567	0.038	0.131	0.492	0.213	0.136	0.085	0.798	0.618	0.428	0.707
Compound_271	COC(=O)CCCC(=O)OC	0.586	0.005	0.296	0.58	0.037	0.009	0.987	0.948	0.394	0.129	0.778
Compound_272	N#CCCC(C#N)(CBr)Br	0.919	0.201	0.152	0.664	0.351	0.161	0.975	0.925	0.658	0.972	0.969
Compound_273	O=CCCCC=O	0.824	0.093	0.273	0.473	0.034	0.382	0.991	0.957	0.777	0.724	0.918
Compound_274	CCCCC=O	0.826	0.081	0.268	0.536	0.026	0.176	0.997	0.966	0.818	0.982	0.837
Compound_275	CCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.12	0.12	0.997	0.989	1.0	1.0	0.819
Compound_276	CCCCCCCCCCCCCCC1OC1	0.965	0.223	0.112	0.6	0.316	0.255	1.0	0.944	0.943	1.0	0.958
Compound_277	CC1CO1	0.811	0.17	0.392	0.541	0.134	0.058	0.993	0.522	0.868	0.992	0.851
Compound_278	CCCCCCCCCCCCC1CO1	0.965	0.223	0.112	0.6	0.257	0.099	0.995	0.944	0.943	1.0	0.958
Compound_279	CCCCCCCCCCC1OC1	0.965	0.223	0.112	0.6	0.257	0.099	0.995	0.944	0.943	1.0	0.958
Compound_280	CC(c1ccc(cc1)OCC1OC1)(C)C	0.212	0.314	0.676	0.667	0.819	0.898	0.788	0.977	0.862	0.965	0.598
Compound_281	CO[Si](CCCOCC1CO1)(OC)OC	0.864	0.162	0.108	0.672	0.386	0.146	0.991	0.913	0.916	0.783	0.751
Compound_282	CCO[Si](OCC)(OCC)CCCOCC1CO1	0.928	0.184	0.365	0.676	0.386	0.146	0.991	0.731	0.774	0.972	0.691
Compound_283	CCO[Si](OCC)(CCCOCC1CO1)C	0.896	0.119	0.299	0.602	0.387	0.098	0.991	0.462	0.774	0.915	0.902
Compound_284	Cc1ccccc1OCC1CO1	0.089	0.18	0.417	0.629	0.336	0.094	0.398	0.983	0.683	0.995	0.854
Compound_285	C(CCOCC1OC1)CCCOCC1OC1	0.934	0.234	0.153	0.673	0.889	0.132	0.965	0.904	0.834	0.993	0.946
Compound_286	O(CC1OC1)CC1CCC(CC1)COCC1OC1	0.957	0.288	0.084	0.556	0.898	0.098	0.979	0.296	0.782	0.992	0.901
Compound_287	C(COCC1OC1)CCOCC1OC1	0.923	0.234	0.14	0.645	0.892	0.142	0.965	0.863	0.886	0.993	0.946
Compound_288	O1CC1COc1cccc(c1)OCC1OC1	0.199	0.361	0.696	0.651	0.929	0.39	0.948	0.94	0.66	0.993	0.918
Compound_289	CC(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)C	0.3	0.602	0.726	0.748	0.966	0.719	0.983	0.969	0.756	0.948	0.936
Compound_290	O=C1CCCCCCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.099	0.065	0.989	0.81	0.189	0.978	0.752
Compound_291	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_292	CCCCCCCC(=O)OC	0.904	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.363	0.994	0.862
Compound_293	CCCCCCCC(=O)OCC	0.894	0.003	0.551	0.723	0.074	0.028	0.997	0.592	0.134	0.998	0.912
Compound_294	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(C)C	0.927	0.0	0.325	0.714	0.08	0.11	0.995	0.772	0.336	0.956	0.899
Compound_295	CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC	0.862	0.042	0.45	0.719	0.415	0.23	0.999	0.677	0.261	0.996	0.709
Compound_296	CCCCCCCCOCCCCCCCC	0.944	0.079	0.176	0.615	0.094	0.338	1.0	0.913	0.879	1.0	0.849
Compound_297	CCCCCCCC(=O)N(C)C	0.861	0.057	0.203	0.507	0.012	0.117	0.15	0.195	0.607	0.793	0.523
Compound_298	O=CCC(CCCC(O)(C)C)C	0.795	0.076	0.044	0.441	0.112	0.212	0.919	0.464	0.178	0.737	0.378
Compound_299	CCCCCCCC=O	0.967	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.789	1.0	0.857
Compound_300	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_301	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_302	CCCCCCCCCCCCCCCCCC(=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_303	CCCCCCCCCCCCCCCCCCCCCCOC(=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_304	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.871	0.012	0.147	0.692	0.08	0.056	0.999	0.357	0.229	0.997	0.905
Compound_305	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_306	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.777	0.038	0.05	0.137	0.097	0.057	0.976	0.774	0.043	0.756	0.065
Compound_307	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC	0.95	0.011	0.296	0.734	0.217	0.159	0.998	0.631	0.35	0.998	0.876
Compound_308	CCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_309	CCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_310	CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC	0.291	0.063	0.043	0.287	0.018	0.214	0.536	0.097	0.431	0.808	0.157
Compound_311	CCCCCCCCCCCCCCCCCC(=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_312	CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.072	0.092	0.007	0.312	0.021	0.163	0.005	0.171	0.291	0.02	0.067
Compound_313	CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC	0.127	0.065	0.043	0.293	0.025	0.171	0.131	0.099	0.35	0.153	0.235
Compound_314	CCCCCCCCCCCCCCCCCC(=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_315	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_316	CCCCCCCCCCCCCCCCCC(=O)N	0.247	0.01	0.028	0.309	0.017	0.1	0.988	0.059	0.572	0.841	0.131
Compound_317	CCCCCCCCC(=O)OCC	0.902	0.003	0.551	0.723	0.074	0.028	0.997	0.592	0.068	0.998	0.912
Compound_318	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)CC	0.936	0.011	0.229	0.63	0.166	0.12	0.992	0.643	0.206	0.965	0.924
Compound_319	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(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_320	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.871	0.003	0.147	0.692	0.079	0.061	0.997	0.357	0.154	0.997	0.915
Compound_321	OC(=O)CCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_322	CCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_323	CCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_324	CCCCC(CON(=O)=O)CC	0.894	0.109	0.12	0.527	0.056	0.098	0.989	0.62	0.653	0.927	0.568
Compound_325	CC1(C)CCCC2(C1CCC1(C2CCO1)C)C	0.953	0.568	0.094	0.563	0.458	0.535	0.478	0.206	0.726	0.992	0.876
Compound_326	C1CCc2c(C1)cccc2	0.767	0.268	0.751	0.532	0.145	0.083	0.991	0.748	0.877	1.0	0.834
Compound_327	CN1(=O)CCOCC1	0.097	0.332	0.077	0.501	0.02	0.023	0.01	0.196	0.366	0.005	0.321
Compound_328	CN1CCOCC1	0.099	0.209	0.027	0.082	0.007	0.007	0.006	0.028	0.329	0.038	0.053
Compound_329	CCN1CCOCC1	0.087	0.267	0.043	0.085	0.007	0.007	0.006	0.083	0.235	0.656	0.135
Compound_330	O1CCN(CC1)SSN1CCOCC1	0.099	0.341	0.337	0.511	0.096	0.084	0.069	0.29	0.383	0.587	0.554
Compound_331	O(CCN1CCOCC1)CCN1CCOCC1	0.08	0.328	0.064	0.065	0.032	0.024	0.006	0.309	0.22	0.468	0.193
Compound_332	C1CNCCO1	0.037	0.059	0.01	0.325	0.008	0.002	0.001	0.009	0.304	0.257	0.113
Compound_333	O=C(c1ccccc1)c1ccccc1	0.957	0.662	0.665	0.53	0.13	0.756	0.948	0.255	0.876	0.993	0.959
Compound_334	Cc1cc(C)c(c(c1)C)C(=O)P(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1	0.682	0.478	0.908	0.566	0.859	0.275	0.997	0.33	0.91	0.37	0.752
Compound_335	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.933	0.693	0.832	0.782	0.974	0.964	0.9	0.875	0.695	0.875	0.971
Compound_336	O=C(c1ccccc1)c1ccc(cc1)c1ccccc1	0.973	0.687	0.813	0.699	0.564	0.967	0.998	0.679	0.587	0.95	0.936
Compound_337	Cc1cc(C)c(c(c1)C)C(=O)P(=O)(c1ccccc1)c1ccccc1	0.57	0.385	0.938	0.57	0.859	0.275	0.997	0.405	0.91	0.816	0.777
Compound_338	Cc1ccc(cc1)C(=O)c1ccccc1	0.903	0.65	0.736	0.563	0.095	0.734	0.85	0.27	0.596	0.992	0.903
Compound_339	COc1ccc(c(c1)O)C(=O)c1ccccc1	0.93	0.738	0.95	0.837	0.925	0.931	0.957	0.015	0.715	0.141	0.808
Compound_340	Oc1ccc(c(c1)O)C(=O)c1ccccc1	0.962	0.801	0.944	0.821	0.923	0.985	0.993	0.865	0.718	0.664	0.749
Compound_341	CO	0.822	0.129	0.433	0.48	0.387	0.074	0.828	0.891	0.778	0.66	0.776
Compound_342	CS	0.839	0.149	0.433	0.48	0.43	0.184	0.963	0.891	0.973	0.998	0.837
Compound_343	CS(=O)(=O)Cl	0.794	0.198	0.402	0.632	0.397	0.139	0.984	0.998	0.597	0.997	0.603
Compound_344	FC(S(=O)(=O)O)(F)F	0.663	0.114	0.052	0.47	0.636	0.257	0.6	0.998	0.366	0.889	0.205
Compound_345	CS(=O)(=O)O	0.624	0.073	0.052	0.235	0.426	0.249	0.886	0.648	0.408	0.881	0.154
Compound_346	NC(=N)S(=O)O	0.238	0.178	0.088	0.158	0.571	0.39	0.012	0.174	0.554	0.447	0.435
Compound_347	COC(OC)OC	0.869	0.055	0.32	0.51	0.139	0.045	0.967	0.796	0.843	0.964	0.304
Compound_348	ClC(Cl)Cl	0.92	0.088	0.324	0.575	0.662	0.305	0.886	0.983	0.544	1.0	0.863
Compound_349	ClC(Cl)(Cl)Cl	0.927	0.079	0.453	0.591	0.836	0.311	0.839	0.979	0.151	0.999	0.91
Compound_350	CN(=O)=O	0.756	0.083	0.148	0.481	0.411	0.153	0.373	0.958	0.913	0.997	0.814
Compound_351	CI	0.905	0.238	0.433	0.553	0.531	0.192	0.917	0.932	0.765	0.997	0.761
Compound_352	COCOC	0.869	0.044	0.407	0.495	0.198	0.081	0.947	0.746	0.779	0.947	0.758
Compound_353	ClCCl	0.923	0.079	0.518	0.607	0.662	0.305	0.886	0.983	0.947	0.999	0.885
Compound_354	BrCBr	0.903	0.082	0.518	0.607	0.525	0.185	0.888	0.983	0.833	0.999	0.908
Compound_355	CBr	0.903	0.121	0.433	0.553	0.485	0.105	0.951	0.932	0.943	0.998	0.906
Compound_356	CSC	0.785	0.092	0.407	0.502	0.236	0.07	0.963	0.755	0.821	0.995	0.823
Compound_357	CS(=O)(=O)C	0.76	0.103	0.347	0.508	0.159	0.087	0.971	0.921	0.585	0.996	0.442
Compound_358	CS(=O)C	0.749	0.074	0.435	0.504	0.134	0.067	0.963	0.4	0.769	1.0	0.669
Compound_359	CNC	0.377	0.053	0.146	0.356	0.125	0.014	0.005	0.095	0.83	0.931	0.569
Compound_360	CN(C)C	0.65	0.109	0.044	0.21	0.167	0.084	0.035	0.937	0.82	0.917	0.393
Compound_361	CN	0.429	0.074	0.211	0.453	0.349	0.034	0.008	0.02	0.876	0.966	0.516
Compound_362	c1ccc2c(c1)cncc2	0.83	0.634	0.903	0.571	0.026	0.277	0.007	0.331	0.971	0.984	0.895
Compound_363	CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C	0.936	0.0	0.63	0.616	0.182	0.092	0.99	0.585	0.053	0.956	0.899
Compound_364	OCN1C(=O)N(C2C1N(CO)C(=O)N2CO)CO	0.128	0.317	0.042	0.457	0.108	0.238	0.002	0.04	0.355	0.057	0.723
Compound_365	O=C1NC2C(N1)NC(=O)N2	0.067	0.34	0.187	0.279	0.049	0.052	0.0	0.195	0.563	0.252	0.68
Compound_366	OOC(c1ccccc1)(C)C	0.687	0.176	0.819	0.517	0.066	0.103	0.862	0.244	0.557	0.424	0.583
Compound_367	CCC(OO)(C)C	0.802	0.025	0.069	0.497	0.058	0.037	0.871	0.631	0.656	0.497	0.773
Compound_368	OOC(C)(C)C	0.774	0.048	0.082	0.489	0.058	0.041	0.859	0.459	0.739	0.809	0.858
Compound_369	C#N	0.918	0.267	0.407	0.5	0.546	0.144	0.208	0.964	0.939	0.998	0.893
Compound_370	NC(=O)NN=Cc1ccc(o1)N(=O)=O	0.12	0.409	0.57	0.214	0.626	0.542	0.007	0.975	0.387	0.482	0.812
Compound_371	CCCCCC(=O)OC	0.745	0.004	0.291	0.616	0.018	0.006	0.994	0.93	0.256	0.91	0.815
Compound_372	CCCCCCOC(=O)CCCCC	0.712	0.003	0.251	0.736	0.06	0.028	0.987	0.649	0.614	0.998	0.912
Compound_373	CCCCCC(=O)OCC	0.746	0.003	0.551	0.723	0.06	0.028	0.987	0.592	0.059	0.998	0.912
Compound_374	OC(=O)CCCCCNS(=O)(=O)c1ccc(cc1)C	0.18	0.202	0.006	0.024	0.094	0.076	0.0	0.009	0.409	0.002	0.063
Compound_375	CC(CCCCCC(=O)NCCCCCC(=O)O)C	0.108	0.045	0.066	0.1	0.01	0.019	0.002	0.044	0.383	0.004	0.032
Compound_376	OC(=O)CCCCCNc1nc(NCCCCCC(=O)O)nc(n1)NCCCCCC(=O)O	0.129	0.349	0.872	0.064	0.033	0.199	0.009	0.03	0.403	0.064	0.371
Compound_377	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_378	CCCCC(COC(=O)CC(CC(C)(C)C)C)CC	0.797	0.011	0.111	0.567	0.14	0.103	0.992	0.622	0.466	0.993	0.857
Compound_379	CCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C	0.826	0.012	0.104	0.465	0.17	0.111	0.959	0.78	0.351	0.788	0.877
Compound_380	CC(CC(C)(C)C)CC(=O)O	0.452	0.014	0.02	0.113	0.128	0.013	0.609	0.17	0.121	0.053	0.197
Compound_381	CCCCCC(=O)OCC=C	0.924	0.009	0.516	0.688	0.5	0.087	0.994	0.996	0.065	1.0	0.94
Compound_382	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.876	0.013	0.206	0.669	0.16	0.177	0.989	0.736	0.313	0.961	0.905
Compound_383	CCCCC(C(=O)OC(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.934	0.005	0.157	0.712	0.071	0.05	0.991	0.193	0.389	0.982	0.887
Compound_384	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(C)C)CC	0.876	0.002	0.229	0.669	0.069	0.084	0.989	0.735	0.352	0.951	0.874
Compound_385	CCCCC(C(=O)O)CC	0.563	0.01	0.072	0.2	0.063	0.005	0.838	0.226	0.038	0.854	0.358
Compound_386	CCCCCC(=O)O	0.428	0.012	0.188	0.131	0.032	0.004	0.921	0.13	0.096	0.28	0.121
Compound_387	O=C(CC(CC(C)(C)C)C)OOC(C)(C)C	0.896	0.032	0.082	0.362	0.126	0.044	0.594	0.67	0.217	0.775	0.57
Compound_388	CCCCC(C(=O)OOC(CCC(OOC(=O)C(CCCC)CC)(C)C)(C)C)CC	0.923	0.032	0.025	0.553	0.077	0.057	0.978	0.765	0.196	0.828	0.852
Compound_389	CCCCC(C(=O)OOC(CC)(C)C)CC	0.908	0.036	0.025	0.543	0.069	0.03	0.787	0.773	0.457	0.99	0.766
Compound_390	CCCCC(C(=O)OOC(C)(C)C)CC	0.93	0.037	0.102	0.543	0.069	0.03	0.787	0.796	0.264	0.99	0.729
Compound_391	CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC	0.848	0.003	0.251	0.736	0.174	0.127	0.998	0.649	0.35	0.998	0.912
Compound_392	COC(=O)CCCCC(=O)OC	0.647	0.003	0.296	0.58	0.034	0.014	0.991	0.948	0.318	0.505	0.801
Compound_393	CC(CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C)C	0.848	0.002	0.658	0.693	0.156	0.064	0.996	0.551	0.289	0.99	0.859
Compound_394	NNC(=O)CCCCC(=O)NN	0.076	0.08	0.65	0.424	0.058	0.196	0.095	0.188	0.413	0.026	0.409
Compound_395	CCCCCCOC(=O)CCCCC(=O)OCCCCCC	0.666	0.003	0.251	0.736	0.079	0.111	0.985	0.649	0.424	0.998	0.912
Compound_396	CCCCOC(=O)CCCCC(=O)OCCCC	0.669	0.005	0.251	0.736	0.061	0.035	0.958	0.649	0.412	0.998	0.905
Compound_397	CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC	0.789	0.013	0.185	0.77	0.155	0.275	0.985	0.59	0.363	0.996	0.862
Compound_398	CC(COC(=O)CCCCC(=O)OCC(C)C)C	0.666	0.015	0.122	0.675	0.054	0.023	0.937	0.597	0.358	0.993	0.829
Compound_399	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.737	0.003	0.147	0.692	0.066	0.065	0.992	0.357	0.288	0.997	0.915
Compound_400	CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC	0.802	0.013	0.185	0.77	0.113	0.148	0.985	0.59	0.363	0.996	0.862
Compound_401	CCCCCCC(OC(=O)CCCCC(=O)OC(CCCCCC)C)C	0.837	0.02	0.104	0.6	0.102	0.079	0.999	0.132	0.3	0.995	0.872
Compound_402	OC(=O)CCCCC(=O)O	0.381	0.021	0.153	0.118	0.045	0.013	0.13	0.083	0.25	0.014	0.07
Compound_403	N#CCCCCC#N	0.948	0.249	0.183	0.53	0.244	0.076	0.945	0.975	0.743	0.984	0.888
Compound_404	CC(CN(C(=O)CCCCC(=O)N(CC(O)C)CC(O)C)CC(O)C)O	0.149	0.027	0.043	0.513	0.021	0.368	0.032	0.137	0.288	0.163	0.173
Compound_405	OCCN(C(=O)CCCCC(=O)N(CCO)CCO)CCO	0.11	0.044	0.147	0.505	0.021	0.239	0.001	0.079	0.243	0.048	0.354
Compound_406	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F	0.928	0.127	0.917	0.631	0.281	0.084	0.989	0.596	0.18	0.997	0.966
Compound_407	ClCCCCCCCl	0.977	0.068	0.313	0.647	0.343	0.282	0.991	0.966	0.087	1.0	0.93
Compound_408	CCCCCC	0.949	0.052	0.309	0.578	0.042	0.017	0.995	0.989	0.93	0.999	0.812
Compound_409	CCCCC(C=O)CC	0.928	0.03	0.272	0.553	0.043	0.173	0.988	0.522	0.72	1.0	0.926
Compound_410	CCCCCC=O	0.892	0.046	0.268	0.536	0.024	0.211	0.997	0.966	0.751	0.997	0.849
Compound_411	CCCCCCCCCCCCCCCC(=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_412	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_413	CCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.871	0.012	0.147	0.692	0.08	0.056	0.999	0.357	0.229	0.997	0.905
Compound_414	CCCCCCCCCCCCCCCC(=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_415	CCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_416	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_417	CCCCCCC(=O)OCC	0.799	0.003	0.551	0.723	0.06	0.02	0.994	0.592	0.063	0.998	0.912
Compound_418	CCCCCCC(=O)OCC=C	0.941	0.009	0.516	0.688	0.482	0.06	0.996	0.996	0.077	1.0	0.94
Compound_419	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)CC	0.864	0.011	0.229	0.63	0.079	0.075	0.977	0.643	0.183	0.965	0.924
Compound_420	CCCCCCC(=O)O	0.526	0.007	0.188	0.131	0.032	0.003	0.966	0.13	0.067	0.901	0.169
Compound_421	CCCCCCC	0.969	0.047	0.309	0.578	0.06	0.021	0.994	0.989	0.972	1.0	0.819
Compound_422	CCCCCC(=Cc1ccccc1)C=O	0.948	0.245	0.712	0.598	0.046	0.269	0.981	0.987	0.791	0.999	0.893
Compound_423	CCCCCCC=O	0.928	0.039	0.268	0.536	0.023	0.214	0.998	0.966	0.794	1.0	0.857
Compound_424	NC(=N)NN(=O)=O	0.488	0.113	0.495	0.357	0.526	0.305	0.003	0.731	0.511	0.741	0.768
Compound_425	NC(=N)NC#N	0.444	0.198	0.48	0.411	0.349	0.104	0.003	0.842	0.668	0.307	0.306
Compound_426	N=C(Nc1ccccc1)Nc1ccccc1	0.766	0.75	0.357	0.419	0.517	0.976	0.684	0.981	0.799	0.917	0.677
Compound_427	CN(C(=N)N(C)C)C	0.285	0.15	0.132	0.511	0.083	0.102	0.016	0.597	0.584	0.756	0.268
Compound_428	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.021	0.037	0.014	0.029	0.168	0.007	0.002	0.873	0.95	0.072	0.347
Compound_429	OC(=O)CN(CC(=O)O)CC(=O)O	0.052	0.057	0.016	0.097	0.065	0.003	0.002	0.947	0.638	0.009	0.235
Compound_430	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.024	0.057	0.014	0.029	0.168	0.007	0.002	0.866	0.64	0.017	0.28
Compound_431	OC(=O)CN(CP(=O)(O)O)CC(=O)O	0.073	0.085	0.001	0.029	0.211	0.02	0.002	0.078	0.625	0.004	0.223
Compound_432	NCC(=O)O	0.045	0.059	0.02	0.123	0.039	0.002	0.0	0.007	0.087	0.0	0.075
Compound_433	OCCC(C)C	0.636	0.077	0.601	0.479	0.02	0.011	0.952	0.073	0.043	0.041	0.444
Compound_434	C1CCCO1	0.835	0.181	0.164	0.531	0.038	0.103	0.993	0.647	0.674	0.996	0.8
Compound_435	c1ccco1	0.735	0.231	0.596	0.492	0.048	0.19	0.993	0.046	0.922	0.997	0.805
Compound_436	COC=O	0.854	0.103	0.407	0.505	0.195	0.201	0.942	0.924	0.903	0.883	0.787
Compound_437	CCOC=O	0.781	0.082	0.741	0.522	0.036	0.132	0.95	0.132	0.541	0.919	0.85
Compound_438	O=COC(C)(C)C	0.804	0.036	0.057	0.508	0.035	0.066	0.87	0.759	0.773	0.931	0.779
Compound_439	OC=O	0.71	0.112	0.199	0.27	0.475	0.302	0.512	0.652	0.814	0.123	0.777
Compound_440	C=CNC=O	0.16	0.168	0.241	0.357	0.061	0.091	0.003	0.899	0.733	0.992	0.783
Compound_441	O=CN(C)C	0.615	0.09	0.336	0.489	0.109	0.273	0.066	0.287	0.742	0.729	0.342
Compound_442	O=CN(C1CC(C)(C)NC(C1)(C)C)CCCCCCN(C1CC(C)(C)NC(C1)(C)C)C=O	0.184	0.416	0.047	0.364	0.006	0.687	0.003	0.031	0.313	0.561	0.294
Compound_443	NC=O	0.361	0.184	0.047	0.262	0.345	0.198	0.008	0.025	0.836	0.719	0.616
Compound_444	C=O	0.873	0.216	0.407	0.494	0.449	0.283	0.791	0.904	0.901	0.998	0.893
Compound_445	CCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_446	CCCCCCCC(=O)O	0.731	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.145	0.901	0.169
Compound_447	CCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_448	COC=C	0.906	0.12	0.464	0.518	0.063	0.032	0.971	0.918	0.858	0.997	0.855
Compound_449	CCOC=C	0.817	0.096	0.575	0.473	0.06	0.021	0.978	0.464	0.456	0.999	0.893
Compound_450	ClC=C	0.92	0.063	0.433	0.578	0.293	0.055	0.958	0.988	0.891	0.999	0.889
Compound_451	FC(=C)F	0.94	0.41	0.433	0.582	0.223	0.022	0.885	0.993	0.942	0.999	0.861
Compound_452	ClC(=C)Cl	0.921	0.408	0.433	0.582	0.17	0.311	0.942	0.993	0.618	1.0	0.869
Compound_453	C=COCCOCCOC=C	0.719	0.192	0.211	0.462	0.301	0.271	0.993	0.551	0.776	0.997	0.883
Compound_454	ClC=C(Cl)Cl	0.92	0.418	0.433	0.518	0.244	0.317	0.961	0.991	0.375	0.999	0.882
Compound_455	ClC(=C(Cl)Cl)Cl	0.924	0.418	0.433	0.535	0.484	0.386	0.934	0.991	0.618	0.999	0.882
Compound_456	OC(C(=O)c1ccccc1)c1ccccc1	0.048	0.569	0.175	0.349	0.093	0.833	0.891	0.051	0.186	0.35	0.869
Compound_457	COC(C(=O)c1ccccc1)(c1ccccc1)OC	0.271	0.586	0.762	0.515	0.065	0.898	0.904	0.495	0.377	0.156	0.767
Compound_458	O=N(=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)N(=O)=O)C	0.847	0.394	0.609	0.54	0.136	0.183	0.724	0.533	0.41	0.569	0.885
Compound_459	CC(=O)N1CCOCC1	0.087	0.256	0.258	0.563	0.01	0.016	0.014	0.082	0.383	0.583	0.159
Compound_460	CCCOCCO	0.642	0.128	0.129	0.523	0.075	0.15	0.941	0.395	0.206	0.922	0.613
Compound_461	OCCOc1ccccc1	0.375	0.097	0.476	0.566	0.329	0.098	0.894	0.37	0.261	0.205	0.189
Compound_462	COCCO	0.601	0.148	0.127	0.474	0.068	0.111	0.718	0.721	0.21	0.168	0.647
Compound_463	OCCS	0.437	0.174	0.115	0.458	0.079	0.159	0.723	0.68	0.592	0.393	0.767
Compound_464	CCOCCOC(=O)C	0.826	0.043	0.48	0.636	0.072	0.026	0.97	0.093	0.61	0.957	0.79
Compound_465	OCCOCC	0.668	0.218	0.285	0.478	0.059	0.098	0.809	0.187	0.171	0.751	0.652
Compound_466	CCCCOCCOC(=O)C	0.861	0.04	0.12	0.714	0.179	0.064	0.997	0.415	0.852	0.997	0.762
Compound_467	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	0.911	0.024	0.289	0.61	0.163	0.177	0.998	0.392	0.629	0.979	0.633
Compound_468	CCCCOCCO	0.71	0.201	0.063	0.578	0.066	0.141	0.951	0.592	0.29	0.879	0.622
Compound_469	NCCO	0.042	0.071	0.016	0.276	0.011	0.011	0.001	0.021	0.048	0.003	0.288
Compound_470	CCCCCCOCCOCCO	0.776	0.215	0.069	0.622	0.121	0.372	0.894	0.871	0.443	0.861	0.567
Compound_471	COCCOCCOCCO	0.628	0.114	0.107	0.466	0.075	0.13	0.187	0.363	0.283	0.497	0.575
Compound_472	OCCOCCOCCOCC	0.628	0.118	0.285	0.488	0.122	0.214	0.252	0.151	0.208	0.895	0.629
Compound_473	CCCCOCCOCCOCCO	0.694	0.095	0.063	0.588	0.143	0.295	0.46	0.551	0.344	0.887	0.568
Compound_474	OCCN(CCN(C)C)C	0.037	0.114	0.016	0.135	0.012	0.005	0.0	0.589	0.092	0.006	0.136
Compound_475	CCCCC(COCCO)CC	0.839	0.167	0.04	0.536	0.102	0.265	0.932	0.228	0.178	0.855	0.65
Compound_476	NCCNCCO	0.005	0.05	0.004	0.246	0.009	0.001	-0.0	0.069	0.011	0.057	0.213
Compound_477	OCCSCCO	0.428	0.098	0.086	0.458	0.143	0.063	0.781	0.178	0.216	0.396	0.75
Compound_478	OCCS(=O)(=O)CCO	0.388	0.103	0.065	0.486	0.078	0.068	0.132	0.339	0.344	0.613	0.213
Compound_479	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	0.488	0.52	0.84	0.583	0.37	0.763	0.989	0.005	0.867	0.98	0.914
Compound_480	OCCOCCO	0.665	0.097	0.086	0.458	0.076	0.188	0.631	0.178	0.187	0.475	0.672
Compound_481	OCCNCCO	0.01	0.024	0.007	0.264	0.015	0.003	0.0	0.108	0.05	0.062	0.217
Compound_482	OCCOCCOCCOCCO	0.628	0.06	0.086	0.469	0.16	0.374	0.089	0.138	0.249	0.68	0.671
Compound_483	OCCOc1ccc(cc1)OCCO	0.544	0.104	0.476	0.578	0.529	0.378	0.523	0.481	0.173	0.381	0.315
Compound_484	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	0.436	0.52	0.84	0.583	0.37	0.763	0.989	0.005	0.867	0.98	0.914
Compound_485	OCCOCCOCCO	0.625	0.06	0.086	0.469	0.079	0.231	0.111	0.138	0.249	0.68	0.671
Compound_486	OCCN(c1ccc(cc1)C)CCO	0.286	0.249	0.346	0.418	0.182	0.403	0.041	0.104	0.394	0.011	0.316
Compound_487	NCCCN(CCO)CCO	0.006	0.069	0.028	0.104	0.014	0.009	0.0	0.166	0.619	0.006	0.138
Compound_488	OCC(F)(F)F	0.794	0.062	0.115	0.608	0.109	0.068	0.582	0.471	0.158	0.7	0.959
Compound_489	CCCCCCCCN(CCO)CCO	0.505	0.067	0.13	0.118	0.047	0.274	0.007	0.347	0.95	0.103	0.251
Compound_490	OCCN(CCO)C	0.053	0.055	0.064	0.108	0.014	0.012	0.008	0.485	0.215	0.007	0.177
Compound_491	OCCN(C1CCCCC1)CCO	0.194	0.184	0.128	0.083	0.059	0.425	0.003	0.093	0.286	0.023	0.285
Compound_492	CCCCCCCCC=CCCCCCCCCN(CCO)CCO	0.769	0.092	0.148	0.203	0.211	0.795	0.68	0.456	0.951	0.267	0.284
Compound_493	CCCCCCCCSCCO	0.736	0.094	0.069	0.611	0.365	0.16	0.963	0.889	0.425	0.958	0.678
Compound_494	CNCCO	0.015	0.106	0.007	0.211	0.012	0.003	0.0	0.078	0.093	0.002	0.17
Compound_495	CCCCCCOCCO	0.785	0.231	0.069	0.611	0.121	0.372	0.894	0.889	0.394	0.892	0.62
Compound_496	OCCNCC	0.01	0.098	0.007	0.246	0.007	0.001	0.0	0.056	0.041	0.299	0.131
Compound_497	OCCN(C)C	0.077	0.018	0.015	0.124	0.01	0.009	0.008	0.702	0.054	0.005	0.094
Compound_498	OCCN(CC)CC	0.056	0.048	0.12	0.102	0.01	0.01	0.008	0.86	0.081	0.311	0.13
Compound_499	CCCCN(CCCC)CCO	0.07	0.062	0.13	0.118	0.024	0.046	0.001	0.184	0.248	0.831	0.161
Compound_500	OCCOCCOc1ccccc1	0.239	0.178	0.428	0.58	0.329	0.098	0.894	0.264	0.352	0.477	0.202
Compound_501	COCCOCCO	0.671	0.191	0.107	0.466	0.059	0.098	0.809	0.363	0.283	0.389	0.575
Compound_502	CCOCCOCCOC(=O)C	0.801	0.012	0.48	0.636	0.156	0.059	0.912	0.093	0.61	0.996	0.841
Compound_503	OCCOCCOCC	0.625	0.208	0.285	0.488	0.059	0.098	0.809	0.151	0.208	0.847	0.627
Compound_504	CCCCOCCOCCOC(=O)C	0.849	0.012	0.12	0.714	0.185	0.082	0.989	0.415	0.852	0.997	0.775
Compound_505	CCCCOCCOCCO	0.692	0.175	0.063	0.588	0.137	0.242	0.893	0.551	0.344	0.835	0.571
Compound_506	CCO	0.661	0.107	0.113	0.474	0.023	0.025	0.805	0.433	0.453	0.78	0.81
Compound_507	SCCOCCOCCS	0.685	0.084	0.086	0.469	0.178	0.153	0.94	0.138	0.886	0.958	0.787
Compound_508	CCS	0.73	0.147	0.113	0.474	0.079	0.074	0.957	0.433	0.953	0.999	0.875
Compound_509	NCCS(=O)(=O)O	0.053	0.047	0.005	0.161	0.054	0.098	0.001	0.003	0.319	0.002	0.34
Compound_510	CC(=O)OOC(C)(C)C	0.809	0.049	0.146	0.512	0.067	0.03	0.792	0.777	0.933	0.889	0.724
Compound_511	CC(=O)OO	0.763	0.098	0.4	0.517	0.067	0.04	0.672	0.861	0.873	0.934	0.5
Compound_512	OC(=O)C(=O)O	0.552	0.056	0.387	0.266	0.122	0.035	0.016	0.555	0.113	0.031	0.645
Compound_513	CCOc1ccccc1NC(=O)C(=O)Nc1ccccc1CC	0.193	0.703	0.855	0.589	0.5	0.188	0.363	0.307	0.213	0.11	0.49
Compound_514	O=CC=O	0.832	0.173	0.407	0.465	0.049	0.71	0.895	0.964	0.713	0.908	0.92
Compound_515	CCN(=O)=O	0.626	0.077	0.386	0.521	0.038	0.077	0.263	0.863	0.856	0.959	0.812
Compound_516	CCCl	0.913	0.155	0.428	0.63	0.132	0.023	0.985	0.989	0.981	0.999	0.892
Compound_517	COCCOCCOCC	0.774	0.09	0.711	0.534	0.063	0.052	0.961	0.071	0.427	0.989	0.797
Compound_518	COCCOC	0.754	0.056	0.462	0.516	0.042	0.031	0.971	0.554	0.738	0.92	0.787
Compound_519	CCOCCOCC	0.786	0.067	0.659	0.526	0.051	0.051	0.971	0.051	0.421	0.991	0.834
Compound_520	ClCCCl	0.896	0.063	0.433	0.611	0.316	0.124	0.952	0.983	0.978	0.998	0.933
Compound_521	BrCCBr	0.904	0.057	0.433	0.611	0.116	0.06	0.888	0.983	0.788	0.999	0.952
Compound_522	COCCOCCOC	0.811	0.079	0.368	0.513	0.051	0.051	0.971	0.299	0.746	0.972	0.78
Compound_523	CCOCCOCCOCC	0.774	0.088	0.659	0.526	0.105	0.086	0.973	0.051	0.421	0.997	0.818
Compound_524	ClCCOCCCl	0.898	0.072	0.438	0.585	0.058	0.052	0.979	0.954	0.927	1.0	0.956
Compound_525	CCOCC	0.845	0.127	0.659	0.506	0.022	0.025	0.962	0.08	0.372	0.998	0.85
Compound_526	CC(Cl)Cl	0.929	0.124	0.428	0.597	0.159	0.221	0.973	0.99	0.728	0.999	0.801
Compound_527	FC(C(Cl)(F)F)(Cl)Cl	0.946	0.068	0.433	0.615	0.5	0.214	0.883	0.883	0.631	0.999	0.931
Compound_528	ClCC(Cl)Cl	0.915	0.102	0.433	0.593	0.222	0.525	0.927	0.983	0.904	0.998	0.933
Compound_529	ClC(C(Cl)Cl)Cl	0.915	0.096	0.433	0.578	0.445	0.813	0.927	0.984	0.748	1.0	0.885
Compound_530	COC(OC)(OC)C	0.838	0.04	0.511	0.52	0.025	0.014	0.967	0.513	0.798	0.955	0.317
Compound_531	FC(C(Cl)(Cl)Cl)(F)F	0.951	0.068	0.433	0.615	0.42	0.142	0.845	0.883	0.105	0.999	0.931
Compound_532	CC(Cl)(Cl)Cl	0.931	0.097	0.428	0.635	0.076	0.294	0.96	0.935	0.117	0.999	0.845
Compound_533	CCOC(OCC)OCC	0.748	0.056	0.661	0.514	0.034	0.028	0.948	0.274	0.404	0.997	0.417
Compound_534	FCC(F)(F)F	0.908	0.064	0.433	0.635	0.245	0.049	0.706	0.891	0.765	0.999	0.932
Compound_535	ClC(C(Cl)(Cl)Cl)Cl	0.928	0.079	0.433	0.583	0.445	0.813	0.927	0.883	0.099	0.999	0.91
Compound_536	ClC(C(Cl)(Cl)Cl)(Cl)Cl	0.923	0.079	0.433	0.615	0.515	0.579	0.895	0.883	0.115	0.999	0.91
Compound_537	CSCC	0.705	0.091	0.456	0.527	0.085	0.032	0.946	0.386	0.359	0.998	0.838
Compound_538	CCN(CC)O	0.205	0.127	0.376	0.52	0.031	0.069	0.008	0.205	0.624	0.593	0.688
Compound_539	CCNCC	0.064	0.1	0.038	0.351	0.007	0.002	0.001	0.012	0.337	0.969	0.462
Compound_540	CCN(C)C	0.282	0.148	0.005	0.121	0.012	0.016	0.009	0.268	0.491	0.735	0.287
Compound_541	CCN(CC)CC	0.23	0.213	0.065	0.104	0.011	0.018	0.009	0.48	0.648	0.952	0.315
Compound_542	CN(CCOCCN(C)C)C	0.139	0.117	0.004	0.102	0.029	0.009	0.006	0.082	0.31	0.064	0.309
Compound_543	CCCCCCCCCCCCCCCCCCCC(=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_544	CCCCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_545	CCCCCCCCCCCC(=O)OCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_546	CCCCCCCCCCCC(=O)OCCC(C)C	0.903	0.012	0.673	0.719	0.083	0.055	0.999	0.42	0.101	0.996	0.89
Compound_547	CCCCCCCCCCCC(=O)OCC(CCCC)CC	0.871	0.012	0.147	0.692	0.08	0.056	0.999	0.357	0.229	0.997	0.905
Compound_548	CCCCCCCCCCCC(=O)OCC(CO)O	0.893	0.261	0.047	0.685	0.094	0.059	0.344	0.033	0.042	0.951	0.087
Compound_549	CCCCCCCCCCCC(=O)OC(C)C	0.902	0.021	0.232	0.583	0.072	0.022	0.997	0.133	0.586	0.999	0.833
Compound_550	CCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_551	CCCCCCCCCCCC#N	0.997	0.134	0.18	0.568	0.416	0.118	0.958	0.99	0.875	0.993	0.845
Compound_552	OC(=O)CCCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_553	CCC(CCCC(CCCC(C)C)C)C	0.993	0.074	0.763	0.449	0.102	0.072	0.989	0.798	0.388	1.0	0.851
Compound_554	CCCCCCCCCCCCCl	1.001	0.043	0.309	0.704	0.469	0.269	0.998	0.997	0.178	1.0	0.907
Compound_555	CCCCCCCCCCCC(=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_556	CCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_557	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_558	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_559	CCCCCCCCCCCCCCCCCCCCCC(=O)N	0.247	0.01	0.028	0.309	0.017	0.1	0.988	0.059	0.572	0.841	0.131
Compound_560	CCCCCCCCCC(SSC(CCCCCCCCC)(C)C)(C)C	0.955	0.097	0.049	0.578	0.256	0.344	0.999	0.979	0.962	1.0	0.719
Compound_561	CSSC	0.861	0.111	0.407	0.495	0.288	0.141	0.965	0.806	0.821	0.998	0.823
Compound_562	C=C[Si](O[Si](C=C)(C)C)(C)C	0.829	0.075	0.156	0.67	0.169	0.369	0.953	0.994	0.873	0.999	0.6
Compound_563	C[Si](O[Si](C)(C)C)(C)C	0.805	0.085	0.057	0.515	0.182	0.464	0.929	0.687	0.903	0.997	0.514
Compound_564	CCn1c2cc3oc4c(nc3cc2c2c1cccc2)c(Cl)c1c(c4Cl)nc2c(o1)cc1c(c2)c2ccccc2n1CC	0.761	0.616	0.939	0.617	0.72	0.654	0.985	0.618	0.52	0.953	0.845
Compound_565	CCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_566	CCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_567	CC(CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C)C	0.871	0.002	0.658	0.693	0.086	0.053	0.996	0.551	0.1	0.99	0.859
Compound_568	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.903	0.005	0.251	0.736	0.096	0.106	0.998	0.649	0.517	0.998	0.905
Compound_569	CCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC	0.871	0.003	0.147	0.692	0.079	0.061	0.997	0.357	0.154	0.997	0.915
Compound_570	O=C(OC1CC(C)(C)NC(C1)(C)C)CCCCCCCCC(=O)OC1CC(C)(C)NC(C1)(C)C	0.152	0.605	0.105	0.4	0.008	0.102	0.786	0.026	0.079	0.919	0.253
Compound_571	OC(=O)CCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_572	CCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_573	CCCCCCCCCC(=O)N(C)C	0.879	0.057	0.203	0.507	0.012	0.117	0.15	0.195	0.648	0.793	0.523
Compound_574	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_575	CCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_576	FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O1)(C)CCC(F)(F)F)(F)F	0.69	0.339	0.183	0.644	0.476	0.434	0.995	0.971	0.658	0.441	0.634
Compound_577	C[Si]1(C)O[Si](C)(C)O[Si](O1)(C)C	0.715	0.121	0.294	0.516	0.198	0.468	0.93	0.689	0.903	0.746	0.575
Compound_578	C[SiH]1O[SiH](C)O[SiH](O[SiH](O1)C)C	0.737	0.113	0.6	0.624	0.198	0.328	0.872	0.974	0.903	0.997	0.464
Compound_579	c1ccc(cc1)[Si]1(O[Si](O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	0.458	0.466	0.642	0.52	0.979	0.586	0.999	0.467	0.962	0.979	0.494
Compound_580	C[Si]1(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C	0.744	0.132	0.294	0.516	0.334	0.464	0.899	0.689	0.903	0.983	0.452
Compound_581	CC(C1CCCC(C1)(C)C)OC(COC(=O)C1CC1)(C)C	0.958	0.185	0.014	0.564	0.477	0.162	0.965	0.766	0.511	0.908	0.244
Compound_582	C[SiH]1O[SiH](C)O[SiH](C)O[SiH](O[SiH](O1)C)C	0.726	0.113	0.6	0.624	0.603	0.626	0.872	0.974	0.903	0.997	0.464
Compound_583	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C	0.733	0.132	0.294	0.516	0.648	0.639	0.899	0.689	0.903	0.983	0.452
Compound_584	CCCCCCCC1CCCC1=O	0.979	0.278	0.294	0.524	0.066	0.037	0.92	0.092	0.384	1.0	0.902
Compound_585	CCCCCC1C(CCC1=O)CC(=O)OC	0.881	0.359	0.162	0.513	0.006	0.017	0.636	0.812	0.33	0.947	0.794
Compound_586	CO[Si](C1CCCC1)(C1CCCC1)OC	0.903	0.215	0.192	0.497	0.176	0.238	0.998	0.556	0.643	0.955	0.875
Compound_587	C1CCCC1	0.909	0.209	0.313	0.516	0.076	0.047	0.955	0.863	0.847	0.999	0.761
Compound_588	CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C	0.54	0.461	0.328	0.583	0.202	0.69	0.103	0.023	0.878	0.981	0.714
Compound_589	C=CC1CCC=CC1	0.894	0.216	0.172	0.652	0.282	0.06	0.985	0.877	0.894	0.999	0.523
Compound_590	CC1=CCC(=C(C)C)CC1	0.92	0.184	0.834	0.533	0.188	0.029	0.962	0.931	0.924	0.995	0.675
Compound_591	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C	0.733	0.132	0.294	0.516	0.316	0.468	0.916	0.689	0.903	0.983	0.452
Compound_592	CCC(C1CCCCC1=O)C	0.979	0.219	0.239	0.448	0.058	0.014	0.725	0.057	0.43	0.999	0.748
Compound_593	O=C1CCCCC1	0.913	0.136	0.32	0.482	0.028	0.032	0.925	0.683	0.436	0.999	0.568
Compound_594	OC1CCC(CC1)C(C1CCC(CC1)O)(C)C	0.928	0.557	0.051	0.467	0.443	0.304	0.728	0.476	0.415	0.935	0.53
Compound_595	CC(=O)OC1CCC(CC1)C(C)(C)C	0.935	0.233	0.055	0.437	0.337	0.117	0.725	0.639	0.773	0.989	0.301
Compound_596	OC1CCCC(C1)C1CC2CC1C(C2(C)C)C	0.928	0.834	0.052	0.474	0.575	0.179	0.1	0.185	0.332	0.978	0.699
Compound_597	CCC(C1CCCCC1OC(=O)C)(C)C	0.946	0.318	0.084	0.497	0.212	0.046	0.869	0.856	0.578	0.998	0.454
Compound_598	C#CC1(O)CCCCC1	0.869	0.202	0.062	0.468	0.096	0.37	0.906	0.394	0.457	0.815	0.268
Compound_599	OC1CCCCC1	0.767	0.087	0.061	0.505	0.037	0.066	0.877	0.363	0.362	0.816	0.055
Compound_600	C=CCOC(=O)CCC1CCCCC1	0.975	0.172	0.472	0.673	0.623	0.158	0.992	0.997	0.106	0.997	0.749
Compound_601	CC(CN1CCOCC1)(C=NCC1(C)CC(N=CC(CN2CCOCC2)(C)C)CC(C1)(C)C)C	0.182	0.454	0.07	0.158	0.07	0.547	0.007	0.156	0.183	0.346	0.253
Compound_602	NCC1(C)CC(N)CC(C1)(C)C	0.178	0.213	0.049	0.32	0.023	0.076	0.001	0.006	0.612	0.004	0.057
Compound_603	CC(C=NCC1(C)CC(N=CC(C)C)CC(C1)(C)C)C	0.676	0.289	0.198	0.504	0.089	0.614	0.831	0.22	0.291	0.217	0.308
Compound_604	N#CC1(C)CC(=O)CC(C1)(C)C	0.967	0.206	0.199	0.513	0.241	0.092	0.167	0.812	0.581	0.701	0.634
Compound_605	CC1CCCCC1	0.969	0.105	0.294	0.456	0.043	0.018	0.991	0.817	0.919	0.998	0.244
Compound_606	CO[Si](C1CCCCC1)(OC)C	0.971	0.147	0.206	0.518	0.116	0.132	0.999	0.431	0.846	0.968	0.699
Compound_607	CN(C1CCCCC1)C1CCCCC1	0.667	0.281	0.014	0.151	0.067	0.619	0.003	0.635	0.609	0.625	0.215
Compound_608	C1CCC(CC1)NC1CCCCC1	0.101	0.175	0.054	0.32	0.064	0.282	0.002	0.04	0.427	0.903	0.049
Compound_609	C1CCC(CC1)N=C=NC1CCCCC1	0.786	0.355	0.363	0.515	0.151	0.714	0.018	0.848	0.805	0.959	0.338
Compound_610	CCC(NC1CCC(CC1)CC1CCC(CC1)NC(CC)C)C	0.313	0.22	0.188	0.232	0.077	0.652	0.231	0.088	0.68	0.983	0.207
Compound_611	NC1CCC(CC1C)CC1CCC(C(C1)C)N	0.321	0.2	0.085	0.317	0.064	0.235	0.011	0.019	0.553	0.482	0.083
Compound_612	NC1CCC(CC1)CC1CCC(CC1)N	0.321	0.214	0.087	0.306	0.091	0.407	0.002	0.015	0.715	0.867	0.159
Compound_613	NC1CCCCC1	0.113	0.099	0.102	0.377	0.016	0.124	0.002	0.01	0.778	0.657	0.02
Compound_614	OC1CCCCCCCCCCC1	0.928	0.063	0.061	0.505	0.09	0.091	0.875	0.363	0.25	0.874	0.435
Compound_615	BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br	0.991	0.178	0.377	0.605	0.363	0.446	0.995	0.955	0.826	1.0	0.53
Compound_616	CCOCOC1CCCCCCCCCCC1	0.951	0.211	0.359	0.455	0.072	0.068	0.997	0.803	0.251	0.998	0.509
Compound_617	C1CCCCCCCCCCC1	0.993	0.1	0.313	0.516	0.166	0.096	0.987	0.863	0.892	1.0	0.563
Compound_618	NC#N	0.606	0.22	0.194	0.442	0.644	0.034	0.041	0.127	0.92	0.918	0.674
Compound_619	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_620	OC(=O)CCCC(=O)O	0.225	0.01	0.153	0.118	0.052	0.017	0.178	0.115	0.333	0.003	0.061
Compound_621	CCCCC(COC(=O)OOC(CC)(C)C)CC	0.801	0.02	0.012	0.558	0.138	0.102	0.977	0.118	0.619	0.976	0.5
Compound_622	CCCCC(COC(=O)OOC(C)(C)C)CC	0.843	0.019	0.052	0.558	0.138	0.102	0.977	0.132	0.716	0.976	0.485
Compound_623	CC(OC(=O)OOC(C)(C)C)C	0.719	0.056	0.104	0.531	0.155	0.09	0.96	0.831	0.85	0.867	0.358
Compound_624	NNC(=O)NN	0.505	0.118	0.871	0.356	0.456	0.118	0.008	0.537	0.74	0.297	0.209
Compound_625	CCOC(=O)OC	0.716	0.017	0.741	0.542	0.041	0.022	0.962	0.191	0.511	0.818	0.355
Compound_626	COC(=O)OC	0.85	0.022	0.407	0.51	0.218	0.06	0.942	0.939	0.853	0.761	0.273
Compound_627	CCOC(=O)OCC	0.693	0.04	0.741	0.545	0.041	0.022	0.962	0.161	0.459	0.994	0.391
Compound_628	S=C=S	0.897	0.123	0.428	0.503	0.641	0.181	0.787	0.98	0.926	1.0	0.909
Compound_629	CCNC(=S)OC(C)C	0.088	0.131	0.27	0.362	0.009	0.129	0.007	0.649	0.768	0.996	0.491
Compound_630	CCCCN(C(=S)SCSC(=S)N(CCCC)CCCC)CCCC	0.199	0.169	0.176	0.562	0.493	0.825	0.975	0.692	0.932	0.999	0.769
Compound_631	S=C(N(Cc1ccccc1)Cc1ccccc1)SSCCCCCCSSC(=S)N(Cc1ccccc1)Cc1ccccc1	0.679	0.435	0.266	0.52	0.651	0.991	0.978	0.179	0.511	1.0	0.555
Compound_632	CC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C)C	0.032	0.339	0.084	0.178	0.111	0.378	0.657	0.116	0.461	0.192	0.467
Compound_633	CCCCC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(CCCC)CC)CC	0.065	0.393	0.146	0.214	0.126	0.413	0.763	0.078	0.471	0.317	0.471
Compound_634	NCCCCCCNC(=O)O	0.05	0.071	0.008	0.127	0.036	0.098	0.0	0.055	0.437	0.002	0.078
Compound_635	COC(=O)N	0.434	0.063	0.046	0.266	0.185	0.062	0.12	0.014	0.427	0.186	0.232
Compound_636	O=N(=O)c1ccc(c(c1)N(=O)=O)O	0.929	0.083	0.866	0.592	0.801	0.787	0.96	0.994	0.95	0.977	0.94
Compound_637	CCC=C	0.886	0.106	0.308	0.639	0.17	0.003	0.995	0.988	0.35	0.999	0.842
Compound_638	CCCC(=O)OCc1ccccc1	0.395	0.088	0.502	0.61	0.056	0.027	0.989	0.947	0.321	0.995	0.611
Compound_639	CCCCCOC(=O)CCC	0.747	0.003	0.251	0.736	0.087	0.021	0.994	0.649	0.74	0.998	0.912
Compound_640	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_641	CCCCCCOC(=O)CCC	0.768	0.003	0.251	0.736	0.08	0.032	0.992	0.649	0.727	0.998	0.912
Compound_642	CCCC(=O)OCC	0.736	0.006	0.526	0.694	0.044	0.012	0.997	0.449	0.108	0.997	0.894
Compound_643	CCCCOC(=O)CCC	0.709	0.005	0.232	0.706	0.095	0.02	0.994	0.49	0.712	0.998	0.901
Compound_644	COC(=O)CC(=O)C	0.693	0.012	0.261	0.521	0.057	0.027	0.993	0.957	0.49	0.053	0.648
Compound_645	CCOC(=O)CC(=O)C	0.691	0.041	0.515	0.634	0.076	0.056	0.994	0.72	0.435	0.629	0.862
Compound_646	CC(=O)CC(=O)OCCOC(=O)C(=C)C	0.974	0.176	0.145	0.656	0.531	0.216	0.997	0.866	0.555	1.0	0.895
Compound_647	CC(=O)CC(=O)OC(C)(C)C	0.711	0.014	0.091	0.52	0.103	0.05	0.871	0.965	0.525	0.121	0.697
Compound_648	CCCC(=O)OCCC(C)C	0.709	0.013	0.705	0.69	0.081	0.01	0.982	0.337	0.096	0.997	0.885
Compound_649	CCOC(=O)CC(C)C	0.736	0.008	0.839	0.623	0.037	0.006	0.991	0.732	0.192	0.946	0.871
Compound_650	CC(CCOC(=O)CC(C)C)C	0.709	0.013	0.705	0.639	0.081	0.01	0.982	0.671	0.115	0.984	0.791
Compound_651	CC(CC(=O)O)C	0.364	0.026	0.009	0.133	0.044	0.001	0.955	0.024	0.132	0.025	0.154
Compound_652	CCCCOC(=O)CC(O)C	0.71	0.055	0.041	0.727	0.142	0.025	0.637	0.492	0.569	0.906	0.561
Compound_653	CCOC(=O)C(CC)C	0.735	0.01	0.832	0.623	0.037	0.006	0.991	0.336	0.314	0.993	0.868
Compound_654	CCC(C(=O)OC(C)C)C	0.735	0.042	0.547	0.511	0.081	0.008	0.931	0.387	0.753	0.963	0.736
Compound_655	CC(C(=O)O)CC	0.366	0.028	0.065	0.164	0.044	0.001	0.955	0.093	0.118	0.089	0.227
Compound_656	CCCC(=O)O	0.364	0.026	0.173	0.106	0.051	0.002	0.967	0.076	0.214	0.041	0.079
Compound_657	CCC(N=NC(C#N)(CC)C)(C#N)C	0.477	0.033	0.021	0.498	0.233	0.098	0.093	0.952	0.565	0.558	0.778
Compound_658	CCCC#N	0.928	0.158	0.165	0.545	0.154	0.029	0.963	0.92	0.763	0.913	0.849
Compound_659	CCCCOC(=O)C(SP(=S)(OCC(CCCC)CC)OCC(CCCC)CC)CC(=O)OCCCC	0.754	0.021	0.133	0.699	0.315	0.187	0.995	0.74	0.505	0.999	0.737
Compound_660	CCCCC(COC(=O)CCC(=O)OCC(CCCC)CC)CC	0.867	0.003	0.147	0.692	0.099	0.123	0.995	0.357	0.706	0.997	0.915
Compound_661	OC(=O)CCC(=O)O	0.35	0.024	0.047	0.193	0.067	0.02	0.302	0.199	0.557	0.002	0.105
Compound_662	CCC(C)C	0.879	0.076	0.232	0.496	0.03	0.004	0.976	0.489	0.782	0.999	0.766
Compound_663	CCCCN=C=O	0.738	0.121	0.472	0.548	0.019	0.06	0.139	0.568	0.852	0.476	0.675
Compound_664	CCCCCl	0.945	0.085	0.287	0.68	0.191	0.061	0.998	0.985	0.083	0.997	0.898
Compound_665	CC(CCOCCC(C)C)C	0.76	0.098	0.68	0.523	0.05	0.033	0.966	0.068	0.074	0.994	0.865
Compound_666	CCCCOCCCC	0.76	0.081	0.161	0.587	0.058	0.059	0.988	0.467	0.725	1.0	0.849
Compound_667	CCCCOCCOCCOCCCC	0.82	0.084	0.161	0.607	0.123	0.121	0.998	0.38	0.756	0.998	0.79
Compound_668	CC(=O)CC(=O)N(C)C	0.33	0.084	0.146	0.474	0.011	0.046	0.123	0.068	0.471	0.115	0.485
Compound_669	COc1cc(Cl)c(cc1NC(=O)CC(=O)C)OC	0.505	0.417	0.82	0.601	0.511	0.534	0.978	0.062	0.423	0.831	0.148
Compound_670	COc1cc(c(cc1N=NC(C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)C)OC)S(=O)(=O)Nc1ccccc1	0.433	0.414	0.933	0.575	0.703	0.65	0.512	0.689	0.392	0.986	0.471
Compound_671	O=C(C(C(=O)C)N=Nc1ccccc1C(F)(F)F)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.498	0.645	0.985	0.679	0.426	0.803	0.133	0.913	0.413	0.057	0.831
Compound_672	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)N(=O)=O	0.598	0.611	0.995	0.565	0.24	0.776	0.188	0.558	0.412	0.894	0.81
Compound_673	O=C(Nc1ccccc1)CC(=O)C	0.737	0.264	0.949	0.609	0.094	0.196	0.768	0.38	0.489	0.432	0.201
Compound_674	CC(=O)CC(=O)N	0.108	0.05	0.049	0.222	0.007	0.014	0.325	0.015	0.488	0.133	0.16
Compound_675	Cc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.658	0.631	0.991	0.717	0.711	0.416	0.085	0.931	0.469	0.97	0.717
Compound_676	COc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1OC)C(=O)C	0.518	0.79	0.97	0.696	0.67	0.535	0.163	0.819	0.387	0.961	0.807
Compound_677	COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.574	0.76	0.99	0.748	0.632	0.515	0.56	0.894	0.402	0.989	0.82
Compound_678	Clc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1Cl)C(=O)C	0.736	0.616	0.992	0.755	0.698	0.558	0.934	0.944	0.433	0.998	0.754
Compound_679	O=C(C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.635	0.61	0.992	0.66	0.662	0.648	0.773	0.836	0.458	0.934	0.854
Compound_680	COc1cc(ccc1N=NC(C(=O)Nc1ccccc1OC)C(=O)C)N(=O)=O	0.505	0.79	0.978	0.638	0.253	0.598	0.199	0.624	0.389	0.961	0.807
Compound_681	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1cccc(c1)OCCOc1ccccc1N=NC(C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C(=O)C	0.414	0.671	0.989	0.574	0.64	0.671	0.86	0.338	0.381	0.445	0.625
Compound_682	COc1cc(ccc1N=NC(C(=O)Nc1ccccc1)C(=O)C)c1ccc(c(c1)OC)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.423	0.778	0.986	0.723	0.865	0.816	0.87	0.869	0.478	0.911	0.649
Compound_683	COc1cc(Cl)c(cc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)C)OC	0.553	0.729	0.987	0.701	0.798	0.683	0.897	0.802	0.424	0.986	0.684
Compound_684	CC(=O)C(C(=O)Nc1ccccc1C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1C)C(=O)C	0.644	0.686	0.996	0.746	0.902	0.859	0.955	0.599	0.469	0.993	0.692
Compound_685	COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C	0.54	0.729	0.995	0.732	0.828	0.731	0.866	0.827	0.402	0.986	0.684
Compound_686	Cc1ccc(c(c1)C)NC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)Nc1ccc(cc1C)C)C(=O)C)C(=O)C	0.596	0.681	0.945	0.594	0.88	0.846	0.995	0.903	0.454	0.986	0.673
Compound_687	CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.701	0.683	0.996	0.741	0.89	0.87	0.915	0.728	0.491	0.969	0.663
Compound_688	CCCC=O	0.817	0.115	0.248	0.518	0.028	0.169	0.997	0.789	0.796	0.985	0.837
Compound_689	COB1OB(OC)OB(O1)OC	0.865	0.205	0.32	0.52	0.64	0.738	0.836	0.796	0.885	0.579	0.706
Compound_690	COB(OC)OC	0.891	0.055	0.32	0.51	0.654	0.739	0.959	0.796	0.885	0.992	0.716
Compound_691	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c1n(c3=O)c2c(n1)cccc2	0.712	0.63	0.873	0.472	0.759	0.848	0.964	0.287	0.712	0.276	0.588
Compound_692	CC1=CCC2CC1C2(C)C	0.985	0.348	0.432	0.436	0.648	0.579	0.438	0.929	0.692	0.998	0.849
Compound_693	NCC1C2CCC(C1CN)C2	0.293	0.323	0.049	0.328	0.1	0.125	0.001	0.008	0.647	0.307	0.172
Compound_694	CC=C1CC2CC1C=C2	0.864	0.455	0.276	0.562	0.413	0.029	0.979	0.956	0.461	0.996	0.806
Compound_695	C=CC1CC2CC1C=C2	0.941	0.397	0.105	0.542	0.608	0.061	0.95	0.924	0.435	0.999	0.615
Compound_696	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.226	0.668	0.983	0.645	0.737	0.656	0.908	0.796	0.872	0.963	0.802
Compound_697	c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.257	0.719	0.992	0.843	0.817	0.646	0.93	0.889	0.964	0.919	0.957
Compound_698	c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2	0.925	0.591	0.979	0.465	0.674	0.714	0.991	0.752	0.933	0.998	0.714
Compound_699	O1CCN(CC1)Sc1nc2c(s1)cccc2	0.666	0.454	0.979	0.499	0.551	0.685	0.053	0.106	0.729	0.197	0.255
Compound_700	O=C(c1ccccc1)OCc1ccccc1	0.658	0.693	0.88	0.613	0.194	0.755	0.998	0.087	0.821	0.663	0.888
Compound_701	CCCCOC(=O)c1ccccc1	0.611	0.144	0.542	0.645	0.049	0.129	0.993	0.078	0.855	0.368	0.455
Compound_702	OC(=O)c1ccc(cc1)N(=O)=O	0.775	0.161	0.583	0.442	0.093	0.098	0.972	0.978	0.331	0.86	0.731
Compound_703	COC(=O)c1ccc(cc1)C=O	0.704	0.121	0.557	0.553	0.046	0.336	0.991	0.005	0.923	0.229	0.234
Compound_704	CCOC(=O)c1ccc(cc1)N(C)C	0.548	0.744	0.997	0.645	0.072	0.891	0.915	0.043	0.653	0.038	0.638
Compound_705	CCCCC(COC(=O)c1ccc(cc1)N(C)C)CC	0.712	0.684	0.901	0.567	0.127	0.893	0.818	0.033	0.756	0.433	0.577
Compound_706	CCCCCCCCCCCCCCCCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.891	0.34	0.667	0.675	0.859	0.991	0.633	0.746	0.846	0.889	0.688
Compound_707	O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.698	0.521	0.366	0.654	0.973	0.991	0.828	0.234	0.793	0.746	0.559
Compound_708	OC(=O)c1cc(O)c(c(c1)O)O	0.732	0.161	0.187	0.415	0.718	0.098	0.357	0.901	0.609	0.839	0.066
Compound_709	O=C(c1ccccc1O)OCc1ccccc1	0.564	0.68	0.597	0.629	0.646	0.512	0.979	0.193	0.205	0.23	0.657
Compound_710	COC(=O)c1ccccc1O	0.682	0.183	0.232	0.567	0.228	0.066	0.043	0.032	0.169	0.125	0.089
Compound_711	CCCCCCOC(=O)c1ccccc1O	0.696	0.381	0.151	0.661	0.378	0.132	0.087	0.4	0.59	0.877	0.786
Compound_712	O=C(c1ccccc1O)OC1CCCCC1	0.696	0.425	0.053	0.604	0.618	0.445	0.903	0.214	0.132	0.919	0.479
Compound_713	CCCCC(COC(=O)c1ccccc1O)CC	0.749	0.378	0.047	0.612	0.392	0.141	0.126	0.034	0.161	0.847	0.703
Compound_714	OC(=O)c1ccccc1O	0.37	0.199	0.163	0.423	0.128	0.031	0.078	0.094	0.321	0.288	0.076
Compound_715	CCCCC(COC(=O)c1ccccc1)CC	0.799	0.086	0.237	0.583	0.069	0.149	0.981	0.022	0.71	0.994	0.622
Compound_716	COC(=O)c1ccccc1C(=O)c1ccccc1	0.927	0.554	0.662	0.559	0.178	0.223	0.974	0.034	0.696	0.311	0.751
Compound_717	COC(=O)c1ccccc1N	0.447	0.265	0.885	0.538	0.096	0.267	0.975	0.046	0.776	0.213	0.346
Compound_718	O=C(C(C(=O)C)N=Nc1ccccc1C(=O)O)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.481	0.579	0.788	0.392	0.3	0.652	0.31	0.174	0.511	0.459	0.423
Compound_719	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_720	OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1	0.308	0.3	0.098	0.312	0.932	0.624	0.999	0.05	0.718	0.693	0.65
Compound_721	OC(=O)c1ccccc1	0.595	0.09	0.484	0.375	0.038	0.038	0.978	0.229	0.692	0.033	0.141
Compound_722	O=C=NS(=O)(=O)c1ccc(cc1)C	0.397	0.337	0.865	0.656	0.167	0.106	0.883	0.541	0.389	0.516	0.183
Compound_723	CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl	0.67	0.231	0.793	0.713	0.125	0.151	0.659	0.931	0.419	0.921	0.468
Compound_724	COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1	0.648	0.559	0.885	0.524	0.093	0.098	0.942	0.049	0.499	0.478	0.145
Compound_725	NNS(=O)(=O)c1ccc(cc1)C	0.22	0.228	0.194	0.201	0.233	0.289	0.337	0.047	0.394	0.034	0.372
Compound_726	Cc1ccc(cc1)S(=O)(=O)O	0.655	0.301	0.789	0.313	0.859	0.246	0.986	0.067	0.386	0.707	0.044
Compound_727	Nc1ccc(cc1)S(=O)(=O)O	0.511	0.096	0.966	0.372	0.417	0.41	0.367	0.035	0.32	0.007	0.271
Compound_728	Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O	0.839	0.205	0.997	0.469	0.643	0.615	0.508	0.469	0.365	0.028	0.19
Compound_729	NNS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)NN	0.451	0.3	0.237	0.257	0.356	0.653	0.058	0.172	0.293	0.005	0.412
Compound_730	Nc1cccc(c1)S(=O)(=O)O	0.639	0.096	0.92	0.375	0.406	0.55	0.59	0.037	0.36	0.007	0.271
Compound_731	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C	0.892	0.285	0.933	0.359	0.5	0.582	0.969	0.879	0.448	0.406	0.32
Compound_732	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N	0.711	0.373	0.931	0.247	0.666	0.679	0.888	0.019	0.433	0.05	0.087
Compound_733	ClC(SN(S(=O)(=O)c1ccccc1)c1ccccc1)(Cl)Cl	0.451	0.401	0.679	0.688	0.797	0.952	0.818	0.917	0.191	0.978	0.592
Compound_734	CCCCNS(=O)(=O)c1ccccc1	0.182	0.35	0.028	0.142	0.022	0.291	0.005	0.058	0.389	0.05	0.071
Compound_735	Cc1ccc(cc1)S(=O)(=O)N	0.155	0.276	0.005	0.117	0.142	0.073	0.407	0.002	0.359	0.117	0.11
Compound_736	O=N(=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)Nc1ccccc1	0.55	0.265	0.416	0.372	0.628	0.573	0.08	0.949	0.25	0.504	0.558
Compound_737	OCCCc1ccccc1	0.512	0.117	0.201	0.51	0.042	0.153	0.996	0.339	0.096	0.046	0.11
Compound_738	CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.811	0.34	0.229	0.723	0.626	0.971	0.086	0.969	0.767	0.889	0.688
Compound_739	COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.558	0.253	0.259	0.615	0.448	0.897	0.119	0.979	0.613	0.213	0.215
Compound_740	O=C(NNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.249	0.556	0.073	0.426	0.254	0.907	0.083	0.876	0.499	0.472	0.253
Compound_741	O=C(C(=O)NCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.249	0.569	0.011	0.346	0.465	0.799	0.051	0.84	0.4	0.189	0.132
Compound_742	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCSCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.497	0.53	0.214	0.694	0.917	0.986	0.659	0.901	0.555	0.989	0.929
Compound_743	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.733	0.534	0.229	0.725	0.848	0.992	0.499	0.964	0.702	0.992	0.907
Compound_744	O=C(CCc1cc(C)c(c(c1)C(C)(C)C)O)OCCOCCOCCOC(=O)CCc1cc(C)c(c(c1)C(C)(C)C)O	0.672	0.61	0.274	0.686	0.879	0.991	0.693	0.907	0.775	0.938	0.894
Compound_745	O=C(CC(c1ccc(c(c1)C(C)(C)C)O)(c1ccc(c(c1)C(C)(C)C)O)C)OCCOC(=O)CC(c1ccc(c(c1)C(C)(C)C)O)(c1ccc(c(c1)C(C)(C)C)O)C	0.903	0.554	0.483	0.721	0.998	0.997	0.56	0.912	0.692	0.95	0.779
Compound_746	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCCCCCNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.169	0.61	0.009	0.324	0.108	0.964	0.029	0.797	0.473	0.071	0.098
Compound_747	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_748	O=CC(Cc1ccc(cc1)C(C)(C)C)C	0.672	0.108	0.469	0.533	0.069	0.309	0.788	0.365	0.796	0.966	0.332
Compound_749	O=CCCc1ccc(cc1)C(C)(C)C	0.672	0.121	0.35	0.512	0.066	0.331	0.859	0.619	0.832	0.858	0.386
Compound_750	O=CC(Cc1ccc(cc1)C(C)C)C	0.655	0.092	0.393	0.516	0.043	0.195	0.834	0.158	0.81	0.971	0.306
Compound_751	OCCC(CCc1ccccc1)C	0.683	0.085	0.211	0.465	0.056	0.117	0.654	0.27	0.108	0.194	0.132
Compound_752	COc1ccc(cc1)COC(=O)C	0.441	0.134	0.758	0.713	0.463	0.098	0.894	0.07	0.783	0.251	0.165
Compound_753	OCc1ccc(cc1)OC	0.451	0.116	0.712	0.613	0.38	0.265	0.768	0.084	0.511	0.027	0.236
Compound_754	CC(c1ccccc1)(O)C	0.385	0.091	0.427	0.591	0.078	0.045	0.679	0.246	0.413	0.407	0.363
Compound_755	OCc1ccccc1	0.526	0.094	0.656	0.525	0.022	0.06	0.963	0.569	0.581	0.221	0.46
Compound_756	CN(Cc1ccccc1)C	0.352	0.205	0.089	0.163	0.005	0.24	0.009	0.779	0.567	0.503	0.018
Compound_757	NCc1ccccc1	0.487	0.124	0.493	0.491	0.004	0.122	0.016	0.051	0.706	0.342	0.075
Compound_758	OCC(c1ccccc1)C	0.1	0.079	0.285	0.463	0.031	0.048	0.923	0.158	0.196	0.247	0.163
Compound_759	OCCc1ccccc1	0.117	0.105	0.905	0.496	0.034	0.144	0.995	0.745	0.175	0.085	0.266
Compound_760	O=C(c1ccccc1)OOC(C)(C)C	0.845	0.138	0.473	0.58	0.037	0.124	0.744	0.084	0.825	0.745	0.39
Compound_761	O=C(Cc1ccccc1)OCCc1ccccc1	0.337	0.643	0.516	0.636	0.316	0.54	0.999	0.365	0.669	0.976	0.863
Compound_762	CCCc1ccccc1	0.704	0.131	0.443	0.566	0.055	0.06	0.997	0.487	0.825	0.996	0.261
Compound_763	Cc1ccccc1	0.899	0.155	0.819	0.559	0.02	0.02	0.991	0.822	0.943	0.998	0.136
Compound_764	COc1ccccc1	0.898	0.108	0.808	0.681	0.05	0.029	0.975	0.033	0.927	0.962	0.205
Compound_765	CCc1ccccc1	0.785	0.136	0.672	0.583	0.055	0.06	0.997	0.654	0.89	0.997	0.238
Compound_766	Clc1ccccc1	0.958	0.153	0.84	0.59	0.12	0.067	0.999	0.622	0.983	0.998	0.087
Compound_767	CCCCc1ccccc1	0.674	0.139	0.443	0.542	0.055	0.06	0.997	0.675	0.883	0.995	0.294
Compound_768	O=N(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)C	0.93	0.262	0.819	0.58	0.101	0.062	0.994	0.96	0.758	0.999	0.887
Compound_769	O=C=Nc1ccc(c(c1)N=C=O)C	0.69	0.448	0.929	0.644	0.28	0.207	0.992	0.632	0.839	0.757	0.419
Compound_770	O=N(=O)c1ccc(c(c1)N(=O)=O)C	0.939	0.262	0.819	0.581	0.132	0.074	0.994	0.955	0.586	0.999	0.887
Compound_771	COc1ccc(cc1)C	0.806	0.091	0.855	0.699	0.093	0.493	0.83	0.009	0.795	0.935	0.217
Compound_772	COc1ccc(cc1)CC=C	0.879	0.291	0.906	0.769	0.126	0.61	0.921	0.958	0.281	0.973	0.213
Compound_773	CC=Cc1ccc(cc1)OC	0.915	0.249	0.902	0.83	0.093	0.493	0.83	0.305	0.929	0.972	0.374
Compound_774	COc1ccc(cc1N(=O)=O)N(=O)=O	0.957	0.187	0.854	0.639	0.5	0.783	0.995	0.921	0.836	0.991	0.909
Compound_775	CCc1ccc(cc1)C	0.773	0.126	0.715	0.589	0.06	0.072	0.995	0.7	0.81	0.996	0.244
Compound_776	C=Cc1ccc(cc1)C	0.968	0.271	0.642	0.578	0.039	0.056	0.997	0.969	0.835	0.998	0.294
Compound_777	ClCc1ccccc1Cl	0.892	0.108	0.818	0.663	0.374	0.227	0.995	0.967	0.762	0.998	0.385
Compound_778	CCc1ccc(cc1)CC	0.753	0.126	0.641	0.578	0.06	0.072	0.995	0.695	0.911	0.996	0.244
Compound_779	Clc1ccc(cc1)Cl	0.949	0.153	0.821	0.595	0.232	0.303	0.998	0.473	0.928	0.998	0.087
Compound_780	CC(c1ccc(cc1)C(C)C)C	0.738	0.106	0.654	0.533	0.077	0.06	0.753	0.473	0.886	0.996	0.207
Compound_781	Clc1cccc(c1C)Cl	0.952	0.076	0.751	0.633	0.284	0.078	0.99	0.958	0.574	0.999	0.141
Compound_782	CC(=C)c1cccc(c1)C(=C)C	0.936	0.546	0.726	0.559	0.043	0.068	0.977	0.908	0.912	0.996	0.725
Compound_783	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.578	0.331	0.801	0.561	0.021	0.437	0.639	0.176	0.75	0.44	0.512
Compound_784	CC(c1cc(cc(c1)C(C)C)C(C)C)C	0.602	0.106	0.657	0.539	0.04	0.037	0.56	0.618	0.802	0.996	0.207
Compound_785	Cc1cc(C)cc(c1)C	0.813	0.119	0.897	0.556	0.02	0.03	0.978	0.804	0.883	0.998	0.16
Compound_786	C=CCOc1c(Br)cc(cc1Br)Br	0.906	0.417	0.934	0.721	0.668	0.714	0.998	0.973	0.323	0.997	0.791
Compound_787	Clc1ccc(c(c1)Cl)Cl	0.974	0.088	0.849	0.629	0.175	0.465	0.998	0.925	0.76	0.999	0.279
Compound_788	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.96	0.088	0.905	0.651	0.253	0.725	0.999	0.991	0.882	0.999	0.279
Compound_789	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.953	0.088	0.848	0.601	0.369	0.692	0.999	0.911	0.863	0.999	0.279
Compound_790	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl	0.756	0.721	0.468	0.66	0.631	0.911	0.847	0.503	0.431	0.991	0.373
Compound_791	O=S(=O)(c1ccccc1)c1ccccc1	0.767	0.61	0.533	0.588	0.358	0.577	0.983	0.187	0.763	0.991	0.259
Compound_792	Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	0.922	0.704	0.89	0.656	0.656	0.652	0.999	0.653	0.384	0.999	0.995
Compound_793	c1ccc(cc1)Oc1ccccc1	0.946	0.752	0.922	0.59	0.5	0.511	0.996	0.771	0.969	0.993	0.921
Compound_794	C(Oc1ccccc1)COc1ccccc1	0.381	0.592	0.833	0.68	0.654	0.531	0.996	0.78	0.848	0.89	0.823
Compound_795	BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br	0.828	0.483	0.975	0.785	0.681	0.697	0.98	0.976	0.383	0.991	0.959
Compound_796	C=C(c1ccccc1)CC(c1ccccc1)(C)C	0.867	0.501	0.23	0.553	0.454	0.553	0.991	0.593	0.872	0.991	0.89
Compound_797	CC(C(c1ccccc1)(C)C)(c1ccccc1)C	0.744	0.47	0.968	0.58	0.454	0.553	0.991	0.136	0.675	0.997	0.828
Compound_798	CCCCCCCCCCOc1ccc(cc1C(CC)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	0.667	0.627	0.382	0.637	0.982	0.997	0.414	0.955	0.628	0.999	0.995
Compound_799	C=Cc1ccc(cc1)C(C)(C)C	0.932	0.151	0.685	0.601	0.125	0.134	0.831	0.822	0.862	0.997	0.383
Compound_800	CO[Si](c1ccccc1)(OC)OC	0.851	0.224	0.743	0.548	0.087	0.25	1.0	0.096	0.9	0.921	0.45
Compound_801	CCO[Si](c1ccccc1)(OCC)OCC	0.793	0.275	0.908	0.549	0.122	0.269	0.999	0.085	0.492	0.987	0.49