Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	FC(C(N(C)C)(F)F)F	0.396	0.103	0.044	0.3	0.135	0.024	0.509	0.993	0.449	0.826	0.688
Compound_2	FC([C@]1(F)C(F)(F)[C@@](C1(F)F)(F)C(F)(F)F)(F)F	0.948	0.225	0.727	0.64	0.53	0.574	0.97	0.329	0.555	1.0	0.619
Compound_3	FC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F	0.935	0.261	0.805	0.643	0.331	0.015	0.988	0.627	0.286	0.999	0.972
Compound_4	FC(C(F)(F)F)(C(F)(F)F)OC(C(Br)(F)F)(F)F	0.902	0.094	0.589	0.63	0.387	0.065	0.986	0.948	0.291	0.999	0.985
Compound_5	FC(C(C(F)(F)F)(N1C(F)(F)C(F)(F)OC(C1(F)F)(F)F)F)(F)F	0.519	0.31	0.292	0.377	0.225	0.029	0.688	0.972	0.309	0.944	0.457
Compound_6	FC(C(C(C(COP1(=NP(=NP(=N1)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.656	0.337	0.914	0.645	0.652	0.535	0.973	0.987	0.389	0.577	0.716
Compound_7	OC(=O)C(C(C(C(C(C(Cl)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F	0.898	0.015	0.248	0.812	0.693	0.387	0.981	0.873	0.109	0.521	0.962
Compound_8	OCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I	0.962	0.207	0.412	0.657	0.556	0.355	0.984	0.056	0.094	0.702	0.792
Compound_9	C=CC(=O)OCC(CC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)O	0.976	0.089	0.156	0.724	0.965	0.642	0.977	0.985	0.49	0.669	0.758
Compound_10	OC(CC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)COC(=O)C(=C)C	0.965	0.117	0.048	0.707	0.883	0.145	0.92	0.753	0.58	0.879	0.822
Compound_11	OC(CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C	0.977	0.117	0.048	0.713	0.886	0.181	0.95	0.736	0.584	0.879	0.822
Compound_12	OCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.958	0.156	0.346	0.682	0.473	0.15	0.98	0.159	0.076	0.866	0.68
Compound_13	FC(=O)C(C(F)(F)F)(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(F)F)F	0.812	0.112	0.139	0.652	0.308	0.107	0.964	0.992	0.307	0.759	0.98
Compound_14	FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F	0.829	0.34	0.45	0.626	0.583	0.094	0.98	0.779	0.254	0.991	0.957
Compound_15	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(Cl)(F)F)F	0.984	0.18	0.745	0.662	0.59	0.317	0.996	0.182	0.5	0.999	0.872
Compound_16	FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)F	0.985	0.18	0.745	0.662	0.711	0.387	0.998	0.182	0.511	0.999	0.872
Compound_17	OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.962	0.098	0.323	0.653	0.401	0.12	0.984	0.067	0.066	0.378	0.747
Compound_18	FC(C(OCC(C(F)F)(F)F)(F)F)F	0.919	0.062	0.925	0.629	0.267	0.084	0.987	0.925	0.534	0.997	0.985
Compound_19	FC(C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)F	0.963	0.062	0.925	0.614	0.246	0.09	0.988	0.887	0.523	0.997	0.985
Compound_20	FC(=O)C(C(F)(F)F)(OC(C(F)(F)F)(F)F)F	0.893	0.079	0.589	0.653	0.179	0.059	0.931	0.986	0.288	0.967	0.977
Compound_21	C=COC(=O)CC(C(C(F)(F)F)(F)F)(F)F	0.841	0.052	0.645	0.699	0.518	0.047	0.999	0.989	0.093	0.99	0.92
Compound_22	FC1(F)SC(S1)(F)F	0.881	0.272	0.407	0.61	0.719	0.432	0.795	0.996	0.926	0.999	0.547
Compound_23	OC(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.877	0.031	0.096	0.58	0.441	0.032	0.991	0.763	0.146	0.354	0.917
Compound_24	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)[O-])F	0.654	0.253	0.844	0.756	0.7	0.462	0.844	0.73	0.287	0.647	0.372
Compound_25	FC(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)F	0.715	0.021	0.377	0.623	0.243	0.032	0.86	0.98	0.253	0.294	0.916
Compound_26	FC(C(C(C(F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)F)(F)F	0.952	0.076	0.894	0.635	0.404	0.033	0.987	0.299	0.248	1.0	0.885
Compound_27	CC(C(C(F)F)(F)F)O	0.758	0.102	0.32	0.58	0.224	0.026	0.916	0.39	0.371	0.911	0.916
Compound_28	O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C)(C)C	0.984	0.036	0.612	0.649	0.477	0.246	0.974	0.865	0.373	0.668	0.93
Compound_29	FC1=C(Cl)C(C(C1(F)F)(F)F)(F)F	0.944	0.66	0.726	0.6	0.652	0.061	0.998	0.629	0.631	0.998	0.813
Compound_30	FC(C(C(F)(F)F)(F)F)(CC1OC1)F	0.918	0.145	0.535	0.686	0.482	0.122	0.982	0.788	0.242	0.998	0.976
Compound_31	FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.577	0.091	0.999	0.182	0.229	1.0	0.9
Compound_32	C=CC(=O)OCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.003	0.07	0.573	0.813	0.944	0.571	1.0	0.998	0.382	0.974	0.937
Compound_33	C=CC(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.094	0.853	0.693	0.815	0.084	1.0	0.943	0.714	0.999	0.908
Compound_34	FC1(F)CNCC1(F)F	0.109	0.452	0.12	0.447	0.181	0.032	0.2	0.03	0.353	0.172	0.198
Compound_35	ICCC(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.193	0.588	0.624	0.816	0.34	0.995	0.381	0.532	0.999	0.867
Compound_36	ICCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.979	0.176	0.61	0.676	0.474	0.257	0.989	0.151	0.246	0.998	0.866
Compound_37	BrCCC(C(Br)(F)F)(F)F	0.926	0.06	0.615	0.621	0.42	0.096	0.993	0.179	0.543	0.999	0.948
Compound_38	C=CC(C(Br)(F)F)(F)F	0.934	0.084	0.784	0.666	0.593	0.06	0.998	0.937	0.693	1.0	0.924
Compound_39	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(COP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.761	0.337	0.852	0.698	0.738	0.547	0.976	0.956	0.144	0.577	0.716
Compound_40	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(cc1)P(c1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.703	0.443	0.897	0.706	0.982	0.613	1.0	0.268	0.242	0.998	0.853
Compound_41	FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F	0.774	0.12	0.55	0.726	0.093	0.051	0.977	0.233	0.34	0.997	0.251
Compound_42	CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C	0.926	0.449	0.708	0.637	0.636	0.488	0.991	0.298	0.633	0.992	0.745
Compound_43	FC(C(COCC1OC1)(F)F)F	0.88	0.243	0.787	0.628	0.698	0.183	0.774	0.866	0.594	0.986	0.968
Compound_44	FC(=C(F)F)OC(C(OC(=C(F)F)F)(F)F)(F)F	0.748	0.362	0.586	0.606	0.388	0.038	0.903	0.996	0.478	0.99	0.956
Compound_45	ICCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.991	0.176	0.61	0.676	0.615	0.327	0.996	0.151	0.249	0.998	0.866
Compound_46	FC(C(C(=O)N)(F)F)F	0.245	0.079	0.2	0.34	0.15	0.04	0.738	0.394	0.455	0.463	0.725
Compound_47	FC(=C(C(C(F)(F)F)(C(F)(F)F)F)F)C(F)(F)F	0.937	0.276	0.433	0.632	0.36	0.016	0.989	0.954	0.816	1.0	0.925
Compound_48	O=C(C(F)(F)F)CC(=O)C(C(F)(F)F)(F)F	0.941	0.068	0.595	0.653	0.227	0.213	0.944	0.89	0.411	0.747	0.979
Compound_49	OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F	0.852	0.015	0.248	0.812	0.601	0.099	0.981	0.873	0.181	0.521	0.962
Compound_50	ICC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.985	0.197	0.745	0.668	0.427	0.286	0.989	0.199	0.24	0.999	0.868
Compound_51	FC(S(=O)(=O)F)C(F)(F)F	0.726	0.127	0.502	0.642	0.149	0.089	0.829	0.993	0.558	0.999	0.635
Compound_52	O=C(C(C(F)(F)F)(F)F)CC(=O)C(C)(C)C	0.972	0.036	0.589	0.64	0.456	0.205	0.937	0.874	0.377	0.668	0.93
Compound_53	FC(=C(C(C(F)(F)F)(C(F)(F)F)F)F)F	0.937	0.389	0.433	0.598	0.386	0.013	0.989	0.89	0.816	1.0	0.862
Compound_54	C=CC(=O)OC(C(F)(F)F)C(F)(F)F	0.986	0.097	0.538	0.733	0.901	0.368	0.999	0.999	0.494	0.998	0.935
Compound_55	OCC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.062	0.368	0.651	0.415	0.198	0.993	0.311	0.085	0.7	0.959
Compound_56	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.844	0.239	0.844	0.647	0.552	0.426	0.763	0.23	0.379	0.531	0.226
Compound_57	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)P(c1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.771	0.484	0.686	0.683	0.986	0.649	0.999	0.272	0.228	0.996	0.789
Compound_58	FC(C(C(F)(F)F)(F)F)F	0.916	0.065	0.816	0.617	0.295	0.06	0.973	0.295	0.303	1.0	0.9
Compound_59	O=C(C(=C)C)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.996	0.112	0.667	0.684	0.808	0.094	0.997	0.986	0.595	0.997	0.971
Compound_60	O=C(OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=C)C(=O)O	0.828	0.107	0.622	0.673	0.834	0.134	0.985	0.943	0.426	0.577	0.946
Compound_61	C=Cc1ccc(cc1)COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.853	0.334	0.81	0.74	0.66	0.313	0.999	0.954	0.188	0.975	0.674
Compound_62	O=C(n1nc(cc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1	0.805	0.599	0.943	0.716	0.729	0.704	0.821	0.736	0.34	0.058	0.734
Compound_63	CCCCCCC(C(Br)(F)F)(F)F	0.986	0.121	0.634	0.702	0.569	0.088	0.998	0.834	0.822	1.0	0.917
Compound_64	CC(=O)n1nc(cc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.73	0.478	0.911	0.701	0.701	0.514	0.962	0.904	0.369	0.029	0.679
Compound_65	OCC(C(C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.909	0.069	0.283	0.592	0.381	0.183	0.942	0.422	0.198	0.7	0.956
Compound_66	OC(=O)CCC(C(Br)(F)F)(F)F	0.482	0.025	0.383	0.495	0.455	0.042	0.97	0.382	0.137	0.13	0.649
Compound_67	OC(=O)C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.048	0.231	0.639	0.456	0.041	0.82	0.98	0.144	0.071	0.92
Compound_68	O=C([C@@H]1CC[C@](C1(C)C)(C)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.845	0.271	0.419	0.603	0.757	0.256	0.547	0.964	0.387	0.962	0.687
Compound_69	OC(=O)C(C(C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.8	0.031	0.114	0.593	0.514	0.051	0.917	0.837	0.183	0.354	0.917
Compound_70	O=C(C=CC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.117	0.835	0.776	0.952	0.601	0.999	0.99	0.488	0.998	0.981
Compound_71	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccc(cc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)Cl	0.773	0.446	0.788	0.696	0.487	0.53	0.793	0.791	0.288	0.841	0.559
Compound_72	FC(C(C(C(C(C(C(F)(F)F)(I)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.198	0.745	0.662	0.494	0.25	0.989	0.182	0.25	1.0	0.836
Compound_73	OCC(C(F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)F)F	0.867	0.069	0.046	0.61	0.205	0.047	0.907	0.305	0.157	0.7	0.956
Compound_74	FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F	0.964	0.189	0.504	0.662	0.5	0.332	0.986	0.587	0.281	0.999	0.947
Compound_75	ICC(C(C(OC(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F	0.936	0.171	0.912	0.698	0.388	0.284	0.985	0.569	0.284	0.997	0.953
Compound_76	OP(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.908	0.061	0.119	0.5	0.813	0.411	0.99	0.112	0.146	0.096	0.291
Compound_77	CC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I	0.991	0.206	0.692	0.69	0.571	0.27	0.999	0.448	0.211	0.999	0.764
Compound_78	OCC(COCC(C(F)F)(F)F)O	0.815	0.197	0.271	0.501	0.48	0.181	0.189	0.034	0.282	0.444	0.541
Compound_79	C=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.978	0.085	0.865	0.71	0.766	0.101	1.0	0.888	0.245	1.0	0.902
Compound_80	ClS(=O)(=O)c1ccc(cc1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.864	0.399	0.741	0.714	0.665	0.2	0.993	0.552	0.156	0.993	0.537
Compound_81	OCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.962	0.098	0.323	0.653	0.401	0.12	0.984	0.067	0.066	0.378	0.747
Compound_82	CC[N+](C(OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C)(CC)CC	0.357	0.297	0.547	0.64	0.112	0.113	0.9	0.736	0.341	0.947	0.476
Compound_83	Fc1c(F)c(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)c(c(c1F)F)F	0.618	0.255	0.383	0.681	0.359	0.06	0.955	0.91	0.422	0.967	0.748
Compound_84	O=C(C(=C)C)OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.994	0.474	0.381	0.695	0.784	0.08	0.998	0.972	0.762	0.994	0.641
Compound_85	O=C=Nc1ccc2c(c1)C(F)(F)OC(O2)(F)F	0.347	0.53	0.907	0.743	0.819	0.667	0.621	0.691	0.761	0.73	0.624
Compound_86	O=CC(C(C(C(F)F)(F)F)(F)F)(F)F	0.917	0.082	0.828	0.595	0.186	0.315	0.988	0.989	0.503	0.998	0.977
Compound_87	OCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.844	0.079	0.294	0.609	0.4	0.239	0.861	0.156	0.214	0.265	0.969
Compound_88	FC1(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F	0.96	0.224	0.664	0.626	0.569	0.085	0.956	0.238	0.631	0.999	0.191
Compound_89	N#CSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.931	0.142	0.307	0.691	0.661	0.2	0.996	0.781	0.309	0.989	0.986
Compound_90	FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F	0.874	0.151	0.494	0.653	0.482	0.284	0.99	0.735	0.239	0.981	0.962
Compound_91	OCCN(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO	0.526	0.082	0.36	0.209	0.396	0.355	0.834	0.17	0.518	0.049	0.539
Compound_92	OCCNCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.117	0.105	0.051	0.384	0.287	0.107	0.051	0.024	0.035	0.228	0.349
Compound_93	FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F	0.871	0.117	0.473	0.652	0.308	0.107	0.964	0.932	0.286	0.95	0.966
Compound_94	O=C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)OOC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F	0.909	0.099	0.624	0.692	0.737	0.365	0.982	0.902	0.289	0.74	0.962
Compound_95	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(cc1)P(c1ccc(cc1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.84	0.443	0.897	0.706	0.969	0.569	1.0	0.268	0.243	0.998	0.853
Compound_96	O=C(C(=C)C)SCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.924	0.146	0.249	0.705	0.825	0.052	0.997	0.971	0.231	1.0	0.973
Compound_97	FC(C1(C(F)(F)F)C(F)(F)C(C1(F)F)(F)F)(F)F	0.948	0.225	0.664	0.626	0.6	0.582	0.93	0.238	0.445	1.0	0.619
Compound_98	OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.957	0.183	0.11	0.538	0.222	0.088	0.95	0.297	0.258	0.888	0.544
Compound_99	FC(C(C(C(Cl)(Cl)Cl)(F)F)(F)F)(F)F	0.96	0.068	0.745	0.648	0.519	0.244	0.989	0.303	0.107	0.999	0.931
Compound_100	OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F	0.9	0.015	0.248	0.812	0.842	0.351	0.997	0.873	0.156	0.521	0.962
Compound_101	FC(=O)C(C(F)(F)F)(OC(F)(F)F)F	0.862	0.079	0.04	0.672	0.162	0.045	0.931	0.995	0.228	0.967	0.977
Compound_102	FC(=C(OC(C(S(=O)(=O)F)(F)F)(F)F)F)F	0.694	0.326	0.92	0.598	0.147	0.038	0.861	0.993	0.472	0.991	0.634
Compound_103	FC(C(C(C(C(C(COC(=O)c1ccccc1S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)F	0.742	0.451	0.96	0.556	0.5	0.507	0.887	0.925	0.371	0.901	0.162
Compound_104	C=COCC(C(F)F)(F)F	0.904	0.093	0.687	0.564	0.463	0.076	0.998	0.935	0.438	0.998	0.974
Compound_105	FC(C(C(S(=O)(=O)Cl)(F)F)(F)F)(C(F)(F)F)F	0.8	0.149	0.786	0.698	0.186	0.046	0.983	0.72	0.339	0.998	0.652
Compound_106	C=CC(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.002	0.057	0.903	0.728	0.931	0.519	1.0	0.999	0.579	0.993	0.957
Compound_107	FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F	0.969	0.076	0.621	0.601	0.474	0.051	0.992	0.181	0.571	1.0	0.885
Compound_108	CCN(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-]	0.095	0.263	0.035	0.634	0.231	0.218	0.149	0.791	0.335	0.483	0.647
Compound_109	FC(C(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F)C(F)(F)F)(F)F	0.949	0.255	0.888	0.638	0.435	0.024	0.994	0.523	0.287	0.999	0.964
Compound_110	FC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F	0.949	0.255	0.463	0.638	0.435	0.024	0.994	0.917	0.812	0.999	0.964
Compound_111	FC(C(C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F	0.941	0.065	0.688	0.645	0.22	0.031	0.967	0.311	0.215	1.0	0.9
Compound_112	CCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.908	0.029	0.836	0.78	0.356	0.053	1.0	0.726	0.126	0.959	0.946
Compound_113	CCCCCCCCn1cc[n+](c1)C	0.947	0.899	0.136	0.791	0.785	0.898	0.107	0.996	0.962	0.722	0.47
Compound_114	FC(C1(F)C(F)(F)C(F)(F)C2(C(C1(F)F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)F)(F)F	0.971	0.386	0.622	0.611	0.662	0.096	0.927	0.193	0.639	1.0	0.589
Compound_115	FC(C1(F)C(F)(C(F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.969	0.224	0.838	0.601	0.539	0.051	0.987	0.181	0.639	0.999	0.191
Compound_116	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)F	0.971	0.291	0.621	0.59	0.654	0.12	0.987	0.237	0.783	0.999	0.373
Compound_117	NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.544	0.07	0.417	0.51	0.307	0.135	0.356	0.002	0.15	0.367	0.548
Compound_118	FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.978	0.068	0.745	0.662	0.648	0.126	0.998	0.182	0.222	0.999	0.931
Compound_119	FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.969	0.065	0.745	0.662	0.512	0.063	0.996	0.182	0.229	1.0	0.9
Compound_120	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.512	0.063	0.996	0.182	0.229	1.0	0.9
Compound_121	FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.977	0.198	0.745	0.662	0.615	0.302	0.996	0.182	0.253	1.0	0.836
Compound_122	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.512	0.063	0.996	0.182	0.229	1.0	0.9
Compound_123	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.512	0.063	0.996	0.182	0.229	1.0	0.9
Compound_124	CC(=C)C(=O)SCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.924	0.146	0.249	0.705	0.863	0.071	0.999	0.971	0.231	1.0	0.973
Compound_125	O=C(C(=C)C)SCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.917	0.146	0.249	0.705	0.825	0.052	0.997	0.971	0.231	1.0	0.973
Compound_126	OC(=O)C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.048	0.231	0.639	0.456	0.041	0.82	0.98	0.144	0.071	0.92
Compound_127	C=CC(=O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.003	0.054	0.835	0.784	0.944	0.571	1.0	0.998	0.403	0.995	0.956
Compound_128	FC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.992	0.073	0.843	0.606	0.435	0.108	0.996	0.629	0.56	1.0	0.905
Compound_129	FC1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.959	0.194	0.796	0.626	0.308	0.074	0.985	0.637	0.651	0.999	0.156
Compound_130	C=CC(=O)OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.993	0.054	0.835	0.784	0.932	0.541	1.0	0.998	0.416	0.995	0.956
Compound_131	CCN(C(C(C(F)(F)F)F)(F)F)CC	0.347	0.301	0.091	0.251	0.18	0.052	0.545	0.933	0.5	0.911	0.681
Compound_132	FC(C(C(C(C(C(COP(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	0.139	0.252	0.376	0.306	0.092	0.941	0.277	0.342	0.213	0.408
Compound_133	CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.9	0.029	0.836	0.78	0.356	0.053	1.0	0.726	0.126	0.959	0.946
Compound_134	C[n+]1ccn(c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.217	0.392	0.574	0.708	0.395	0.26	0.056	0.126	0.213	0.003	0.549
Compound_135	CCCC[n+]1ccn(c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.138	0.49	0.551	0.735	0.382	0.346	0.031	0.368	0.329	0.028	0.5
Compound_136	Fc1c(F)c(F)c(c2c1c(F)c(c(c2F)F)F)F	0.953	0.412	0.96	0.606	0.417	0.06	0.994	0.933	0.833	1.0	0.898
Compound_137	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CNCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.513	0.117	0.153	0.459	0.348	0.201	0.551	0.009	0.13	0.8	0.664
Compound_138	CCCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.204	0.194	0.244	0.64	0.214	0.144	0.324	0.817	0.383	0.456	0.657
Compound_139	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)Cc1ccc(cc1)P(c1ccc(cc1)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1)(F)F	0.609	0.481	0.845	0.691	0.989	0.706	0.998	0.444	0.274	0.998	0.831
Compound_140	O=C(C(C(C(F)(F)F)(F)F)(F)F)n1cncc1	0.554	0.332	0.849	0.646	0.574	0.458	0.548	0.307	0.262	0.107	0.823
Compound_141	OC(=O)C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.826	0.031	0.878	0.707	0.408	0.125	0.567	0.764	0.291	0.251	0.899
Compound_142	OCC(OC(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.731	0.081	0.232	0.586	0.5	0.278	0.279	0.907	0.374	0.46	0.96
Compound_143	FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F	0.874	0.123	0.494	0.653	0.471	0.246	0.991	0.735	0.239	0.982	0.969
Compound_144	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.949	0.036	0.634	0.719	0.471	0.063	0.999	0.869	0.19	0.575	0.961
Compound_145	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F)(F)F)(F)F	0.948	0.076	0.894	0.635	0.295	0.018	0.972	0.299	0.257	1.0	0.885
Compound_146	FC(C(C(C1(F)OC(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.975	0.211	0.919	0.665	0.394	0.086	0.977	0.587	0.281	0.992	0.366
Compound_147	FC(C(C(Br)(F)F)(F)F)(C(Br)(F)F)F	0.94	0.064	0.745	0.648	0.446	0.094	0.993	0.303	0.698	1.0	0.937
Compound_148	FC(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.942	0.064	0.745	0.662	0.466	0.062	0.995	0.182	0.15	1.0	0.937
Compound_149	ClC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.977	0.078	0.758	0.69	0.5	0.188	0.999	0.872	0.191	0.999	0.988
Compound_150	FC(C(C(C(I)(F)F)(F)F)(F)F)(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)F	0.975	0.198	0.745	0.662	0.759	0.362	0.996	0.182	0.567	1.0	0.836
Compound_151	ClC(=O)C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F	0.933	0.071	0.741	0.652	0.482	0.177	0.994	0.98	0.43	0.986	0.997
Compound_152	FC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)F	0.964	0.073	0.843	0.606	0.268	0.06	0.983	0.629	0.551	1.0	0.905
Compound_153	FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)Cl)(F)F	0.968	0.202	0.726	0.624	0.529	0.09	0.996	0.629	0.624	0.999	0.224
Compound_154	ClC1=C(Cl)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.932	0.612	0.726	0.6	0.653	0.118	0.995	0.629	0.674	0.999	0.358
Compound_155	COC1=C(Cl)C(C(C1(F)F)(F)F)(F)F	0.916	0.554	0.775	0.608	0.493	0.098	0.995	0.885	0.413	0.991	0.948
Compound_156	C=CC(C(I)(F)F)(F)F	0.948	0.207	0.784	0.666	0.65	0.212	0.997	0.937	0.57	1.0	0.832
Compound_157	SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.943	0.081	0.329	0.631	0.487	0.284	0.998	0.116	0.402	0.996	0.909
Compound_158	SCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.937	0.081	0.329	0.631	0.487	0.284	0.998	0.116	0.402	0.996	0.909
Compound_159	SCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.943	0.081	0.329	0.631	0.487	0.284	0.998	0.116	0.402	0.996	0.909
Compound_160	[O-]C(=O)C[N+](CCCNS(=O)(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.207	0.378	0.01	0.52	0.469	0.077	0.172	0.825	0.384	0.041	0.548
Compound_161	[O-]C(=O)C[N+](CCCNS(=O)(=O)CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.207	0.378	0.01	0.52	0.469	0.077	0.172	0.825	0.384	0.041	0.548
Compound_162	O=C(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(F)(F)F	0.943	0.045	0.596	0.751	0.409	0.09	0.999	0.647	0.145	0.994	0.955
Compound_163	CCC(C(=O)Nc1ccc(c(c1)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.639	0.515	0.949	0.727	0.775	0.499	0.923	0.616	0.426	0.427	0.533
Compound_164	FC(=C(OC(OC(C(F)(F)F)(F)F)(F)F)F)F	0.878	0.348	0.928	0.622	0.347	0.043	0.903	0.956	0.263	0.997	0.94
Compound_165	FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F	0.871	0.117	0.473	0.652	0.308	0.107	0.964	0.932	0.286	0.95	0.966
Compound_166	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCON(=O)=O)F	0.894	0.107	0.298	0.668	0.243	0.152	0.981	0.762	0.124	0.07	0.624
Compound_167	NC(=O)C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.425	0.092	0.084	0.404	0.284	0.054	0.951	0.402	0.484	0.096	0.833
Compound_168	N#CC(=NOC(=O)OC(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)c1ccccc1	0.79	0.356	0.1	0.676	0.911	0.606	0.907	0.92	0.196	0.023	0.544
Compound_169	C=CC(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.981	0.094	0.853	0.693	0.815	0.084	1.0	0.943	0.714	0.999	0.908
Compound_170	FC(=C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F	0.968	0.395	0.745	0.619	0.628	0.042	0.999	0.284	0.254	1.0	0.888
Compound_171	FC(C(I)(F)F)(I)F	0.92	0.198	0.433	0.615	0.644	0.348	0.706	0.883	0.59	1.0	0.836
Compound_172	ICC(C(F)(F)F)(F)F	0.934	0.197	0.464	0.65	0.435	0.29	0.973	0.353	0.253	0.999	0.868
Compound_173	NC(=O)C(C(F)(F)F)(F)F	0.347	0.077	0.11	0.411	0.227	0.025	0.738	0.177	0.237	0.548	0.696
Compound_174	FC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	0.934	0.076	0.455	0.647	0.289	0.021	0.97	0.848	0.781	1.0	0.885
Compound_175	FC(C(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F	0.944	0.076	0.433	0.616	0.288	0.014	0.972	0.84	0.785	1.0	0.885
Compound_176	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F)(F)F)(F)F	0.948	0.076	0.726	0.635	0.389	0.025	0.987	0.299	0.257	1.0	0.885
Compound_177	FC1(C(F)(F)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.96	0.224	0.621	0.594	0.364	0.045	0.989	0.181	0.626	0.999	0.191
Compound_178	CC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.951	0.079	0.484	0.68	0.143	0.025	0.98	0.911	0.289	0.999	0.942
Compound_179	FC(C(C(Cl)(F)F)(F)F)(C(Cl)(F)F)F	0.951	0.068	0.745	0.648	0.519	0.067	0.993	0.303	0.641	0.999	0.931
Compound_180	NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.25	0.07	0.417	0.51	0.167	0.049	0.071	0.002	0.152	0.367	0.548
Compound_181	OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.864	0.062	0.368	0.651	0.205	0.074	0.907	0.311	0.097	0.7	0.959
Compound_182	NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.279	0.07	0.417	0.51	0.176	0.068	0.102	0.002	0.147	0.367	0.548
Compound_183	FC(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.968	0.068	0.745	0.662	0.487	0.073	0.996	0.182	0.221	0.999	0.931
Compound_184	FC(C(C(C(C(C(F)(F)F)(I)F)(F)F)(F)F)(F)F)(F)F	0.962	0.198	0.745	0.662	0.481	0.242	0.983	0.182	0.252	1.0	0.836
Compound_185	NCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.57	0.07	0.417	0.51	0.307	0.135	0.356	0.002	0.15	0.367	0.548
Compound_186	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.577	0.091	0.999	0.182	0.229	1.0	0.9
Compound_187	FC(=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F	0.948	0.395	0.745	0.619	0.457	0.022	0.995	0.284	0.253	1.0	0.888
Compound_188	NC(=O)C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F	0.272	0.092	0.084	0.404	0.183	0.027	0.536	0.402	0.407	0.096	0.833
Compound_189	FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.952	0.194	0.726	0.624	0.392	0.047	0.985	0.629	0.711	0.999	0.156
Compound_190	OCC(C(C(C(CO)(F)F)(F)F)(F)F)(F)F	0.887	0.071	0.346	0.606	0.295	0.096	0.926	0.794	0.202	0.303	0.966
Compound_191	FC1=C(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.944	0.585	0.726	0.6	0.456	0.046	0.989	0.629	0.765	0.998	0.28
Compound_192	FC(C(C(C(C(=O)N)(F)F)(F)F)(F)F)F	0.168	0.079	0.157	0.376	0.09	0.039	0.748	0.402	0.437	0.463	0.725
Compound_193	FC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)F	0.984	0.112	0.667	0.684	0.808	0.096	0.997	0.986	0.607	0.997	0.971
Compound_194	OCc1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.727	0.132	0.728	0.649	0.6	0.306	0.976	0.388	0.126	0.334	0.695
Compound_195	OCc1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.727	0.132	0.728	0.649	0.682	0.391	0.99	0.388	0.126	0.334	0.695
Compound_196	FC(C(C(F)(F)F)(F)F)(CNCC(C(C(F)(F)F)(F)F)(F)F)F	0.153	0.117	0.153	0.459	0.233	0.039	0.179	0.015	0.128	0.8	0.664
Compound_197	COC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.893	0.026	0.634	0.717	0.208	0.02	0.997	0.906	0.282	0.935	0.903
Compound_198	CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.867	0.029	0.836	0.766	0.28	0.025	0.998	0.773	0.202	0.959	0.946
Compound_199	C=COC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.897	0.052	0.686	0.715	0.473	0.058	1.0	0.971	0.266	0.998	0.942
Compound_200	C=CC(=O)OCC(C(F)(F)F)(F)F	0.996	0.054	0.821	0.805	0.901	0.417	1.0	0.999	0.459	0.995	0.956
Compound_201	FC(=C(C(C(F)(F)F)(F)F)F)F	0.937	0.395	0.732	0.613	0.422	0.014	0.991	0.532	0.273	1.0	0.888
Compound_202	FC(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)F	0.765	0.099	0.118	0.387	0.231	0.032	0.413	0.95	0.192	0.993	0.86
Compound_203	FC(=C(C(F)(F)F)F)C(F)(F)F	0.948	0.272	0.433	0.621	0.414	0.013	0.991	0.883	0.83	1.0	0.94
Compound_204	FC(C(COC(=O)C(=C)C)(F)F)C(F)(F)F	0.982	0.1	0.593	0.761	0.813	0.091	0.998	0.982	0.799	0.998	0.97
Compound_205	O=C(C(C(C(F)(F)F)(F)F)(F)F)C=C(C(C)(C)C)[O-]	0.927	0.099	0.85	0.724	0.685	0.106	0.95	0.936	0.297	0.998	0.977
Compound_206	OP(=O)(OCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.985	0.089	0.117	0.514	0.444	0.126	0.973	0.109	0.097	0.068	0.353
Compound_207	CC(C(C(F)(F)F)(F)F)O	0.768	0.092	0.217	0.625	0.224	0.026	0.916	0.077	0.126	0.931	0.912
Compound_208	CC(=O)C(C(F)(F)F)(F)F	0.936	0.079	0.46	0.661	0.143	0.025	0.979	0.917	0.315	0.999	0.942
Compound_209	FC(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F	0.934	0.076	0.363	0.602	0.334	0.03	0.97	0.885	0.788	1.0	0.885
Compound_210	FC(C(C(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.971	0.224	0.643	0.626	0.512	0.071	0.996	0.096	0.286	0.999	0.191
Compound_211	FC(C1(F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F	0.96	0.224	0.727	0.64	0.453	0.06	0.972	0.329	0.825	0.999	0.191
Compound_212	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)C(F)(F)F)(F)F	0.96	0.224	0.621	0.58	0.474	0.065	0.994	0.29	0.626	0.999	0.191
Compound_213	FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F	0.874	0.151	0.494	0.653	0.553	0.36	0.995	0.735	0.239	0.981	0.962
Compound_214	ICC(C(C(F)(F)F)(F)F)(F)F	0.949	0.197	0.745	0.663	0.386	0.236	0.974	0.314	0.253	0.999	0.868
Compound_215	NCC(C(C(F)(F)F)(F)F)(F)F	0.217	0.07	0.417	0.51	0.174	0.03	0.071	0.004	0.15	0.367	0.548
Compound_216	N#CC(C(C(F)(F)F)(F)F)(F)F	0.959	0.169	0.589	0.678	0.621	0.102	0.957	0.871	0.378	0.992	0.966
Compound_217	O=CC(C(C(F)(F)F)(F)F)(F)F	0.896	0.076	0.724	0.664	0.189	0.306	0.993	0.963	0.289	0.999	0.974
Compound_218	CC(C(C(C(F)(F)F)(F)F)(F)F)O	0.816	0.092	0.221	0.65	0.219	0.03	0.916	0.074	0.112	0.931	0.912
Compound_219	ClC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.941	0.078	0.758	0.676	0.37	0.149	0.997	0.93	0.257	0.999	0.988
Compound_220	NC(=N)C(C(C(F)(F)F)(F)F)(F)F	0.298	0.168	0.75	0.608	0.236	0.126	0.057	0.443	0.195	0.191	0.401
Compound_221	ClC(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)Cl	0.949	0.068	0.745	0.648	0.754	0.562	0.989	0.303	0.409	0.999	0.931
Compound_222	FC(C(C(C(Br)(F)F)(F)F)(F)F)(F)F	0.934	0.064	0.745	0.648	0.446	0.047	0.993	0.303	0.165	1.0	0.937
Compound_223	FC(C(C(C(F)(F)F)(F)F)(I)F)(F)F	0.944	0.198	0.745	0.648	0.455	0.209	0.974	0.303	0.264	1.0	0.836
Compound_224	FC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.577	0.091	0.999	0.182	0.229	1.0	0.9
Compound_225	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.512	0.063	0.996	0.182	0.229	1.0	0.9
Compound_226	FC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.994	0.065	0.855	0.644	0.435	0.108	0.996	0.182	0.293	1.0	0.9
Compound_227	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.971	0.065	0.745	0.662	0.512	0.063	0.996	0.182	0.229	1.0	0.9
Compound_228	FC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F	0.966	0.395	0.745	0.619	0.628	0.042	0.999	0.284	0.254	1.0	0.888
Compound_229	COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.944	0.026	0.634	0.731	0.274	0.041	1.0	0.871	0.169	0.935	0.903
Compound_230	O=C1OC(=O)C(C(C1(F)F)(F)F)(F)F	0.898	0.191	0.611	0.678	0.258	0.046	0.938	0.969	0.525	0.185	0.208
Compound_231	OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F	0.555	0.048	0.218	0.578	0.334	0.035	0.383	0.987	0.357	0.071	0.92
Compound_232	FC1(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.948	0.347	0.726	0.624	0.401	0.044	0.973	0.629	0.683	0.999	0.623
Compound_233	C=CC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F	0.995	0.057	0.903	0.728	0.932	0.541	1.0	0.999	0.592	0.993	0.957
Compound_234	FC(=C(C(C(C(F)(F)F)(F)F)(F)F)F)F	0.945	0.395	0.745	0.602	0.421	0.014	0.991	0.436	0.272	1.0	0.888
Compound_235	OCC(C(C(CO)(F)F)(F)F)(F)F	0.774	0.089	0.346	0.606	0.322	0.063	0.926	0.794	0.236	0.287	0.964
Compound_236	FC(C(C(C(F)F)(F)F)(F)F)F	0.933	0.073	0.843	0.592	0.24	0.036	0.974	0.768	0.565	1.0	0.905
Compound_237	OC(=O)C(C(C(=O)O)(F)F)(F)F	0.62	0.048	0.047	0.499	0.415	0.044	0.496	0.998	0.563	0.071	0.92
Compound_238	OCC1CC(C1(F)F)(F)F	0.839	0.158	0.173	0.583	0.49	0.586	0.943	0.2	0.211	0.907	0.665
Compound_239	COC(=O)C(C(F)(F)F)(F)F	0.891	0.026	0.611	0.701	0.233	0.024	0.996	0.917	0.323	0.935	0.903
Compound_240	C=C(C(F)(F)F)C(F)(F)F	0.943	0.259	0.536	0.641	0.351	0.018	0.989	0.979	0.808	1.0	0.966
Compound_241	FC(CCCCC(COP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.725	0.327	0.802	0.644	0.712	0.545	0.967	0.975	0.359	0.642	0.677
Compound_242	CCC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.986	0.086	0.612	0.697	0.273	0.047	0.998	0.821	0.12	0.995	0.94
Compound_243	FC(=C(C(=C(F)F)C(F)(F)F)F)F	0.936	0.374	0.505	0.613	0.355	0.016	0.988	0.962	0.808	0.999	0.941
Compound_244	CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.962	0.135	0.605	0.695	0.269	0.027	0.994	0.523	0.221	1.0	0.855
Compound_245	CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I	0.991	0.206	0.692	0.69	0.571	0.27	0.999	0.448	0.211	0.999	0.764
Compound_246	FC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F	0.978	0.145	0.535	0.691	0.649	0.17	0.996	0.721	0.242	0.998	0.976
Compound_247	OCC[N+](CCC(=O)O)(CCO)CCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.088	0.12	0.018	0.446	0.296	0.115	0.012	0.04	0.412	0.011	0.332
Compound_248	COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F	0.848	0.083	0.378	0.666	0.242	0.09	0.997	0.959	0.299	0.827	0.827
Compound_249	FC(C(F)(F)F)(Cl)F	0.946	0.068	0.433	0.615	0.454	0.035	0.905	0.883	0.265	0.999	0.931
Compound_250	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NS(=O)(=O)C(F)(F)F)F	0.522	0.164	0.601	0.642	0.229	0.074	0.667	0.801	0.239	0.915	0.881
Compound_251	FC(C(C(OC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	0.264	0.773	0.606	0.477	0.079	0.993	0.371	0.308	0.998	0.681
Compound_252	FC(C(OC1(F)C(F)(F)C(F)(OC(C(C(F)(F)F)(F)F)(F)F)C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.954	0.217	0.86	0.66	0.57	0.098	0.885	0.729	0.271	0.98	0.639
Compound_253	C=CC(=O)OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	1.001	0.355	0.74	0.755	0.928	0.491	0.999	0.997	0.776	0.99	0.454
Compound_254	FC(C(OCC(F)(F)F)(F)F)F	0.907	0.062	0.636	0.61	0.181	0.078	0.835	0.804	0.418	0.997	0.985
Compound_255	ICCC(C(F)(F)F)(F)F	0.942	0.176	0.615	0.621	0.433	0.207	0.974	0.179	0.247	0.998	0.866
Compound_256	FC(=O)C(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F	0.653	0.227	0.564	0.638	0.086	0.084	0.895	0.955	0.359	0.708	0.61
Compound_257	[O-]C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(S(=O)(=O)N)(F)F)(F)F)F)(F)F)F	0.485	0.22	0.042	0.409	0.182	0.112	0.663	0.245	0.327	0.113	0.843
Compound_258	FCC(C(C(C(C(C(C(C(C(C(OC(=O)C(=C)C)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.999	0.127	0.395	0.698	0.839	0.117	0.999	0.994	0.718	0.997	0.971
Compound_259	OCCN(CCO)CCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.11	0.11	0.01	0.233	0.197	0.164	0.008	0.198	0.435	0.005	0.338
Compound_260	CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.877	0.029	0.836	0.78	0.307	0.042	0.998	0.726	0.129	0.959	0.946
Compound_261	[O-]S(=O)(=O)c1ccccc1OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.716	0.469	0.952	0.733	0.508	0.328	0.979	0.945	0.299	0.83	0.164
Compound_262	NCC(C(F)(F)F)(F)F	0.283	0.07	0.35	0.489	0.244	0.037	0.071	0.005	0.144	0.367	0.548
Compound_263	OCC(C(F)(F)F)(F)F	0.796	0.062	0.346	0.604	0.267	0.106	0.894	0.356	0.121	0.7	0.959
Compound_264	OC(C(C(F)(F)F)(F)F)O	0.796	0.069	0.363	0.578	0.24	0.144	0.915	0.073	0.14	0.283	0.924
Compound_265	FC(C(Br)(F)F)(C(F)(F)F)F	0.923	0.064	0.726	0.635	0.494	0.061	0.992	0.394	0.166	1.0	0.937
Compound_266	O=N(=O)c1ccc2c(c1)[nH]c(n2)C(C(F)(F)F)(F)F	0.457	0.636	0.994	0.598	0.7	0.691	0.126	0.955	0.351	0.467	0.892
Compound_267	FC(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.969	0.224	0.621	0.601	0.525	0.053	0.977	0.181	0.639	0.999	0.191
Compound_268	NCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.429	0.07	0.417	0.51	0.183	0.078	0.154	0.002	0.146	0.367	0.548
Compound_269	NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.44	0.077	0.092	0.483	0.215	0.063	0.968	0.162	0.194	0.548	0.696
Compound_270	FC(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.956	0.064	0.745	0.662	0.566	0.091	0.998	0.182	0.148	1.0	0.937
Compound_271	OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.062	0.368	0.651	0.347	0.144	0.984	0.311	0.085	0.7	0.959
Compound_272	FC(C(C(C(C(S(=O)(=O)Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.854	0.149	0.786	0.698	0.329	0.095	0.994	0.72	0.327	0.998	0.652
Compound_273	FC(C(C(C(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.837	0.355	0.964	0.63	0.766	0.176	0.997	0.75	0.371	0.922	0.168
Compound_274	COC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.911	0.026	0.634	0.731	0.169	0.027	0.993	0.871	0.189	0.935	0.903
Compound_275	CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.834	0.029	0.836	0.78	0.257	0.025	0.996	0.726	0.172	0.959	0.946
Compound_276	C=COC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.896	0.052	0.686	0.729	0.448	0.06	0.999	0.952	0.224	0.998	0.942
Compound_277	CCOC(=O)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F	0.797	0.089	0.822	0.741	0.484	0.072	0.994	0.894	0.379	0.892	0.927
Compound_278	C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F	0.996	0.054	0.835	0.776	0.892	0.399	1.0	0.999	0.443	0.995	0.956
Compound_279	FC(=O)C(C(OC(F)(F)F)(F)F)(F)F	0.876	0.049	0.919	0.651	0.381	0.036	0.968	0.994	0.407	0.974	0.982
Compound_280	COC(C(F)F)(F)F	0.901	0.093	0.64	0.623	0.181	0.035	0.944	0.993	0.516	0.993	0.937
Compound_281	CCOC(=O)C(C(F)(F)F)(F)F	0.87	0.029	0.822	0.751	0.314	0.031	0.997	0.782	0.23	0.959	0.946
Compound_282	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCSSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.926	0.104	0.581	0.684	0.769	0.348	0.999	0.464	0.251	1.0	0.76
Compound_283	FC(C(C(F)(F)F)F)F	0.916	0.065	0.529	0.594	0.295	0.06	0.973	0.878	0.688	1.0	0.9
Compound_284	FC(C(COC(=O)C(=C)C)(F)F)F	0.982	0.112	0.667	0.696	0.742	0.061	0.995	0.99	0.633	0.997	0.971
Compound_285	O=C(C(=C)C)OCC(C(F)(F)F)(F)F	0.981	0.1	0.498	0.754	0.675	0.047	0.997	0.978	0.57	0.998	0.97
Compound_286	O=C(N=NC(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.886	0.125	0.518	0.821	0.611	0.341	0.985	0.992	0.205	0.256	0.784
Compound_287	FC(C(S(=O)(=O)O)(F)F)F	0.635	0.114	0.052	0.491	0.195	0.208	0.651	0.998	0.393	0.889	0.205
Compound_288	Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F	0.163	0.53	0.956	0.39	0.894	0.688	0.748	0.208	0.257	0.177	0.543
Compound_289	O=C(C(=C)C)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.994	0.1	0.522	0.757	0.752	0.07	0.998	0.971	0.525	0.998	0.97
Compound_290	CC(=C)C(=O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.998	0.1	0.522	0.757	0.79	0.088	0.999	0.971	0.526	0.998	0.97
Compound_291	O=C(C(=C)C)OCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.998	0.1	0.522	0.757	0.79	0.088	0.999	0.971	0.526	0.998	0.97
Compound_292	C=CC(=O)OC(C(C(C(C(C(C(C(C(C(CF)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	1.004	0.06	0.791	0.733	0.944	0.571	1.0	0.998	0.677	0.993	0.951
Compound_293	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)F)(F)F)(F)F	0.948	0.076	0.726	0.635	0.389	0.025	0.987	0.299	0.257	1.0	0.885
Compound_294	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)(F)F)(F)F	0.948	0.076	0.589	0.658	0.474	0.04	0.968	0.368	0.266	1.0	0.885
Compound_295	C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	1.002	0.098	0.431	0.741	0.932	0.446	1.0	0.997	0.669	0.974	0.929
Compound_296	O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.995	0.096	0.249	0.705	0.841	0.091	0.999	0.971	0.716	0.99	0.946
Compound_297	NNC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(=O)NN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.376	0.141	0.89	0.533	0.385	0.297	0.94	0.947	0.45	0.052	0.33
Compound_298	OCCCCCCCCCSCCCC(C(F)(F)F)(F)F	0.748	0.21	0.259	0.652	0.743	0.201	0.896	0.18	0.288	0.979	0.744
Compound_299	BrC(=C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.948	0.25	0.745	0.65	0.619	0.083	0.999	0.496	0.164	1.0	0.943
Compound_300	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.948	0.086	0.867	0.691	0.698	0.094	0.999	0.771	0.291	0.999	0.92
Compound_301	FC1(F)C(F)(F)C(F)(F)C(C2(C1(F)C(F)(F)C(C(C2(F)C(F)(F)F)(F)F)(F)F)F)(F)F	0.971	0.386	0.838	0.601	0.653	0.087	0.927	0.181	0.639	1.0	0.589
Compound_302	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCC[N+](CCC(=O)O)(C)C	0.097	0.245	0.007	0.454	0.237	0.073	0.081	0.137	0.338	0.0	0.271
Compound_303	[O-]C(=O)CN(C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.581	0.054	0.306	0.637	0.243	0.046	0.827	0.918	0.145	0.03	0.62
Compound_304	OCCN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.43	0.269	0.345	0.679	0.377	0.228	0.842	0.385	0.363	0.042	0.597
Compound_305	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCP(=O)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.873	0.192	0.077	0.476	0.928	0.602	0.998	0.105	0.146	0.95	0.64
Compound_306	ClC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.965	0.078	0.758	0.69	0.363	0.167	0.997	0.872	0.197	0.999	0.988
Compound_307	ClC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	0.078	0.758	0.69	0.5	0.188	0.999	0.872	0.191	0.999	0.988
Compound_308	OCCOCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC	0.188	0.229	0.24	0.669	0.458	0.367	0.729	0.52	0.331	0.477	0.52
Compound_309	O=C(Nc1ccc(c(c1)NC(=O)N1CC1C)C)OC(CSCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.592	0.631	0.795	0.674	0.963	0.699	0.894	0.738	0.401	0.08	0.512
Compound_310	OC(=O)C(C(C(C(C(C(C(C(Cl)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F	0.932	0.015	0.248	0.812	0.798	0.481	0.996	0.873	0.106	0.521	0.962
Compound_311	OC(=O)C(C(C(C(C(C(C(C(C(C(Cl)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F	0.932	0.015	0.248	0.812	0.798	0.481	0.996	0.873	0.106	0.521	0.962
Compound_312	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCC[N+](C)(C)C	0.245	0.224	0.013	0.426	0.098	0.081	0.101	0.429	0.322	0.002	0.202
Compound_313	OC(CC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.925	0.228	0.028	0.489	0.547	0.174	0.865	0.03	0.087	0.118	0.286
Compound_314	FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(CC1OC1)F	0.957	0.212	0.393	0.61	0.621	0.124	0.986	0.728	0.483	0.998	0.977
Compound_315	C=CC(=O)OCC(C(C(F)(F)F)F)(F)F	0.993	0.054	0.862	0.818	0.892	0.399	1.0	0.999	0.769	0.995	0.956
Compound_316	CC(c1c(F)c(F)c(c(c1F)F)C(C)(C)C)(C)C	0.814	0.212	0.545	0.615	0.369	0.092	0.817	0.968	0.542	0.998	0.188
Compound_317	FC(C(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.932	0.148	0.876	0.633	0.5	0.147	0.921	0.659	0.293	0.962	0.957
Compound_318	O=c1oc(=O)n(c2c1cccc2)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.554	0.393	0.758	0.594	0.743	0.686	0.977	0.606	0.181	0.005	0.437
Compound_319	FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F	0.874	0.151	0.494	0.653	0.553	0.36	0.995	0.735	0.239	0.981	0.962
Compound_320	O=C(ON1C(=O)CCC1=O)OCc1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.413	0.537	0.785	0.644	0.652	0.698	0.989	0.902	0.313	0.067	0.599
Compound_321	O=C(ON1C(=O)CCC1=O)OCc1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.413	0.537	0.785	0.644	0.652	0.698	0.989	0.902	0.313	0.067	0.599
Compound_322	OC(=O)C(OC(C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.666	0.047	0.603	0.489	0.38	0.1	0.09	0.99	0.397	0.04	0.943
Compound_323	OC(=O)C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F	0.644	0.047	0.603	0.489	0.299	0.074	0.043	0.99	0.397	0.04	0.943
Compound_324	FC(C(N1C(F)(F)C(F)(F)OC(C1(F)F)(F)F)(F)F)(F)F	0.525	0.31	0.301	0.401	0.194	0.02	0.338	0.979	0.29	0.944	0.457
Compound_325	C#CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.927	0.125	0.716	0.609	0.398	0.321	0.994	0.189	0.293	1.0	0.846
Compound_326	FC(C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F	0.952	0.076	0.643	0.596	0.31	0.032	0.98	0.235	0.248	1.0	0.885
Compound_327	FC(C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.959	0.064	0.745	0.662	0.566	0.091	0.998	0.182	0.148	1.0	0.937
Compound_328	C=CC(=O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.001	0.054	0.835	0.784	0.931	0.519	1.0	0.998	0.4	0.995	0.956
Compound_329	FC(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F	0.956	0.395	0.745	0.619	0.58	0.034	0.999	0.284	0.25	1.0	0.888
Compound_330	FC1=C(F)C(C(C1(F)F)(F)F)(F)F	0.948	0.656	0.726	0.6	0.538	0.033	0.989	0.629	0.72	0.999	0.755
Compound_331	O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)c1cccs1	0.8	0.443	0.68	0.63	0.587	0.877	0.987	0.945	0.41	0.406	0.892
Compound_332	O=C(C(C(C(F)(F)F)(F)F)(F)F)NCc1ccccc1	0.239	0.197	0.522	0.427	0.09	0.189	0.33	0.333	0.35	0.094	0.412
Compound_333	OC(=O)C(C(F)(F)F)C(F)(F)F	0.515	0.014	0.056	0.472	0.301	0.024	0.955	0.987	0.136	0.354	0.918
Compound_334	FC(C(F)(F)F)(COS(=O)(=O)c1ccc(cc1)C)F	0.763	0.355	0.928	0.724	0.79	0.189	0.997	0.572	0.354	0.922	0.168
Compound_335	FC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.854	0.239	0.844	0.647	0.552	0.426	0.763	0.23	0.381	0.531	0.226
Compound_336	C=CC(=O)OCCC(C(C(C(C(C(C(C(C(F)(F)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.003	0.045	0.544	0.826	0.949	0.472	1.0	0.999	0.765	0.981	0.896
Compound_337	C[N+](CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.112	0.385	0.141	0.641	0.193	0.099	0.188	0.671	0.249	0.305	0.593
Compound_338	FC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Oc1ccc(cc1)C(=O)O	0.622	0.363	0.688	0.548	0.958	0.773	0.998	0.325	0.194	0.609	0.577
Compound_339	FC(C(COP1(=NP(=NP(=N1)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(F)F)F	0.714	0.337	0.914	0.693	0.767	0.526	0.945	0.992	0.43	0.577	0.716
Compound_340	O=C(C(=C)C)OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.981	0.1	0.522	0.757	0.752	0.071	0.998	0.971	0.539	0.998	0.97
Compound_341	C=CCOC(C(C(F)(F)F)F)(F)F	0.984	0.089	0.842	0.717	0.746	0.169	0.998	0.993	0.216	0.998	0.972
Compound_342	FC(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.944	0.076	0.726	0.635	0.289	0.019	0.97	0.299	0.255	1.0	0.885
Compound_343	FC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Oc1ccc(cc1)S(=O)(=O)NCCC[N+](C)(C)C	0.312	0.569	0.033	0.331	0.277	0.408	0.137	0.113	0.24	0.04	0.474
Compound_344	O=C(c1ccc(cc1)OC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCC[N+](C)(C)C	0.32	0.501	0.262	0.533	0.263	0.788	0.058	0.486	0.356	0.0	0.081
Compound_345	FC(=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)Oc1ccc(cc1)S(=O)(=O)Cl	0.773	0.523	0.898	0.716	0.398	0.359	0.782	0.095	0.141	0.986	0.573
Compound_346	FC(=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)Oc1ccc(cc1)S(=O)(=O)[O-]	0.741	0.502	0.909	0.625	0.434	0.392	0.946	0.8	0.199	0.983	0.266
Compound_347	FC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Oc1ccc(cc1)S(=O)(=O)Cl	0.812	0.523	0.898	0.716	0.449	0.402	0.892	0.095	0.139	0.986	0.573
Compound_348	[O-]S(=O)(=O)c1ccc(cc1)OC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.821	0.373	0.93	0.668	0.531	0.441	0.979	0.837	0.296	0.906	0.198
Compound_349	O=C(CC(S(=O)(=O)[O-])C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.719	0.118	0.671	0.619	0.293	0.285	0.905	0.975	0.412	0.991	0.353
Compound_350	FC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.919	0.078	0.975	0.65	0.281	0.041	0.974	0.709	0.251	0.999	0.975
Compound_351	C=CC(=O)OCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.51	0.213	0.202	0.714	0.82	0.489	0.798	0.997	0.371	0.75	0.658
Compound_352	NCc1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.748	0.201	0.444	0.571	0.38	0.435	0.741	0.042	0.181	0.113	0.14
Compound_353	FC(=C(OC1(F)OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F)F)F	0.787	0.469	0.036	0.634	0.574	0.121	0.949	0.971	0.179	0.888	0.455
Compound_354	O=C(C(C(F)(F)F)(OC1(F)OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F)F)C(C(F)(F)F)(OC1(F)OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F)F	0.865	0.451	0.043	0.653	0.337	0.26	0.701	0.989	0.228	0.819	0.443
Compound_355	FC(C(C(C(F)(F)F)(OC1(F)OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F)F)(OC1(F)OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F)F)(F)F	0.873	0.472	0.039	0.649	0.599	0.225	0.944	0.965	0.176	0.91	0.471
Compound_356	FC(C(C(C(C(C(COCC(OS(=O)(=O)[O-])COCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.953	0.209	0.492	0.508	0.434	0.322	0.95	0.889	0.261	0.959	0.411
Compound_357	CC(=C)C(=O)OCCC(C(C(C(C(F)(F)C)(F)F)(F)F)(F)F)(F)F	0.998	0.084	0.348	0.761	0.839	0.117	0.999	0.986	0.776	0.972	0.949
Compound_358	N#CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.979	0.169	0.589	0.692	0.658	0.145	0.982	0.784	0.365	0.992	0.966
Compound_359	FC(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F	0.948	0.076	0.67	0.638	0.47	0.049	0.967	0.411	0.761	1.0	0.885
Compound_360	FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(P(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.837	0.14	0.128	0.512	0.815	0.249	0.998	0.128	0.164	0.924	0.839
Compound_361	OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(OCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)O	0.869	0.267	0.014	0.392	0.583	0.181	0.965	0.029	0.263	0.647	0.346
Compound_362	O=C(CC(S(=O)(=O)[O-])C(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.743	0.118	0.671	0.619	0.331	0.308	0.968	0.975	0.412	0.991	0.353
Compound_363	FC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Oc1ccc(cc1)CP(=O)(O)O	0.737	0.502	0.876	0.502	0.906	0.538	0.994	0.025	0.147	0.563	0.356
Compound_364	COC(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F	0.796	0.198	0.415	0.678	0.58	0.075	0.963	0.942	0.339	0.942	0.821
Compound_365	ClC(=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.995	0.076	0.585	0.707	0.43	0.177	0.999	0.837	0.111	0.997	0.984
Compound_366	ClC(=O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.976	0.076	0.585	0.707	0.28	0.151	0.996	0.837	0.129	0.997	0.984
Compound_367	ClCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	0.07	0.61	0.656	0.773	0.248	0.998	0.148	0.344	0.998	0.956
Compound_368	FC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F	0.829	0.11	0.66	0.643	0.464	0.083	0.711	0.998	0.405	0.978	0.96
Compound_369	FC(C(C(C1(F)C(F)(F)OC(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.961	0.364	0.965	0.641	0.339	0.074	0.995	0.397	0.285	0.998	0.835
Compound_370	N#CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.981	0.169	0.589	0.692	0.761	0.193	0.993	0.784	0.368	0.992	0.966
Compound_371	FC(C(C(C(Cl)(F)F)(F)F)(F)F)(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)F	0.978	0.068	0.745	0.662	0.706	0.167	0.997	0.182	0.633	0.999	0.931
Compound_372	FC(S(=O)(=O)Cl)(C(F)(F)F)F	0.775	0.149	0.77	0.646	0.209	0.054	0.869	0.944	0.304	0.998	0.652
Compound_373	FC(=C(C(C(C(C(C(C(C(C(Oc1ccc(cc1)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F	0.769	0.507	0.977	0.486	0.69	0.51	0.988	0.728	0.319	0.822	0.23
Compound_374	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)C(c1ccccc1)(c1ccccc1)O)F	0.792	0.576	0.181	0.664	0.984	0.884	0.959	0.253	0.279	0.923	0.929
Compound_375	O=C(C(=C)C)OCCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F	0.979	0.096	0.249	0.684	0.817	0.099	0.996	0.977	0.714	0.99	0.946
Compound_376	FC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.95	0.18	0.596	0.616	0.237	0.033	0.982	0.878	0.573	0.997	0.547
Compound_377	FC(C(I)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F	0.661	0.203	0.991	0.639	0.258	0.272	0.837	0.938	0.436	0.949	0.564
Compound_378	FC(C(Cl)(F)F)(C(F)(F)F)Cl	0.934	0.068	0.726	0.635	0.657	0.131	0.992	0.394	0.676	0.999	0.931
Compound_379	FC(C(Cl)(F)F)(C(Cl)(F)F)F	0.943	0.068	0.726	0.635	0.589	0.082	0.992	0.394	0.639	0.999	0.931
Compound_380	NC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.269	0.077	0.092	0.457	0.156	0.018	0.769	0.192	0.235	0.548	0.696
Compound_381	CCOC(=O)CC(=O)C(C(F)(F)F)(F)F	0.727	0.043	0.832	0.731	0.341	0.129	0.992	0.934	0.346	0.816	0.943
Compound_382	FC(C(C(C(C(F)(F)F)(C(F)(F)F)Cl)(F)F)(F)F)(F)F	0.96	0.079	0.643	0.603	0.422	0.051	0.993	0.235	0.236	0.999	0.922
Compound_383	FC(C(C(OC(F)(F)F)(F)F)(F)F)F	0.866	0.078	0.959	0.622	0.183	0.048	0.974	0.979	0.417	0.999	0.975
Compound_384	FC(C(F)(F)F)(C(F)(F)F)I	0.927	0.198	0.726	0.635	0.513	0.251	0.973	0.394	0.601	1.0	0.836
Compound_385	CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.953	0.079	0.484	0.694	0.141	0.034	0.983	0.839	0.263	0.999	0.942
Compound_386	OC(=O)C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.868	0.048	0.231	0.639	0.456	0.041	0.82	0.98	0.197	0.071	0.92
Compound_387	C=CC(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F	0.948	0.094	0.853	0.693	0.768	0.062	0.999	0.943	0.702	0.999	0.908
Compound_388	ClC(=O)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F	0.934	0.071	0.741	0.652	0.414	0.178	0.995	0.98	0.563	0.986	0.997
Compound_389	C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F	0.996	0.136	0.821	0.767	0.97	0.59	0.999	0.999	0.753	1.0	0.971
Compound_390	OCCCC(C(C(F)(F)F)(F)F)(F)F	0.859	0.098	0.323	0.647	0.238	0.078	0.908	0.081	0.065	0.378	0.747
Compound_391	ICC(C(F)F)(F)F	0.93	0.204	0.922	0.602	0.435	0.29	0.973	0.775	0.468	0.999	0.867
Compound_392	FC(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F	0.644	0.153	0.991	0.639	0.134	0.051	0.837	0.938	0.33	0.949	0.623
Compound_393	COC(=O)C(C(F)(F)F)(C(F)(F)F)F	0.892	0.043	0.336	0.654	0.206	0.021	0.993	0.979	0.594	0.935	0.896
Compound_394	FC(C(C(C(C(F)(F)F)(I)F)(F)F)(F)F)(F)F	0.956	0.198	0.745	0.662	0.468	0.22	0.974	0.182	0.258	1.0	0.836
Compound_395	CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)Nc1ccc(c(c1)NC(=O)OC(COC(=O)C(=C)C)C)C	0.655	0.553	0.654	0.752	0.79	0.57	0.774	0.98	0.41	0.722	0.602
Compound_396	CCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)Nc1ccc(c(c1)NC(=O)OC(COC(=O)C(=C)C)C)C	0.655	0.553	0.654	0.752	0.766	0.534	0.61	0.98	0.409	0.722	0.602
Compound_397	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)Nc1ccc(c(c1)NC(=O)OC(COC(=O)C(=C)C)C)C	0.645	0.553	0.654	0.752	0.766	0.534	0.61	0.98	0.409	0.722	0.602
Compound_398	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)Nc1ccc(c(c1)NC(=O)OC(COC(=O)C(=C)C)C)C	0.617	0.553	0.654	0.752	0.766	0.534	0.61	0.98	0.41	0.722	0.602
Compound_399	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)Nc1ccc(c(c1)NC(=O)OC(COC(=O)C(=C)C)C)C	0.599	0.553	0.654	0.752	0.766	0.534	0.61	0.98	0.41	0.722	0.602
Compound_400	O=C(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F	0.939	0.086	0.732	0.616	0.255	0.032	0.941	0.772	0.293	0.999	0.975
Compound_401	FC(=C(F)F)C(=C(F)F)F	0.94	0.421	0.433	0.584	0.435	0.02	0.991	0.991	0.938	0.999	0.863
Compound_402	OC(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F	0.851	0.106	0.06	0.615	0.201	0.058	0.887	0.171	0.296	0.93	0.964
Compound_403	FC(=CC(F)(F)F)F	0.933	0.395	0.705	0.639	0.548	0.045	0.993	0.978	0.83	1.0	0.888
Compound_404	FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(C(=O)O)(F)F)(F)F)F)(F)F	0.681	0.187	0.023	0.554	0.719	0.079	0.311	0.98	0.276	0.858	0.89
Compound_405	FC1=C(F)C(C1(F)F)(F)F	0.951	0.545	0.726	0.586	0.459	0.034	0.991	0.768	0.547	0.999	0.712
Compound_406	FC1(F)C(F)(F)OS1(=O)=O	0.691	0.514	0.912	0.609	0.175	0.163	0.829	0.99	0.389	0.839	0.438
Compound_407	N#CC(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F	0.859	0.382	0.418	0.632	0.768	0.189	0.976	0.915	0.362	0.939	0.925
Compound_408	O=C1OC(=O)C(C1(F)F)(F)F	0.908	0.238	0.611	0.664	0.403	0.06	0.982	0.983	0.676	0.266	0.647
Compound_409	FC(=C(OC(OC(F)(F)F)(F)F)F)F	0.886	0.348	0.27	0.633	0.335	0.035	0.903	0.998	0.616	0.997	0.94
Compound_410	O=C(C(C(F)(F)F)(F)F)n1cncc1	0.505	0.332	0.836	0.669	0.594	0.421	0.389	0.33	0.278	0.107	0.823
Compound_411	FC(C(I)(F)F)(C(F)(F)F)F	0.93	0.198	0.726	0.635	0.513	0.251	0.973	0.394	0.264	1.0	0.836
Compound_412	O=C(Nc1ccc(c(c1)NC(=O)N1CC1C)C)OC(CSCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.646	0.631	0.795	0.674	0.946	0.678	0.943	0.738	0.401	0.08	0.512
Compound_413	O=C(Nc1ccc(c(c1)NC(=O)N1CC1C)C)OC(CSCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.583	0.631	0.795	0.674	0.963	0.699	0.894	0.738	0.401	0.08	0.512
Compound_414	FC(=C(C(C(F)(F)F)(F)F)F)C(F)(F)F	0.937	0.272	0.732	0.629	0.396	0.017	0.991	0.404	0.273	1.0	0.94
Compound_415	O=C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)C(F)(F)F	0.933	0.101	0.732	0.642	0.21	0.023	0.923	0.898	0.486	0.999	0.971
Compound_416	O=C1OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F	0.873	0.218	0.122	0.658	0.238	0.054	0.875	0.995	0.226	0.752	0.155
Compound_417	C=CCOC(C(S(=O)(=O)F)(F)F)(F)F	0.865	0.161	0.967	0.675	0.544	0.225	0.992	0.995	0.398	0.982	0.62
Compound_418	FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F	0.868	0.174	0.941	0.672	0.356	0.178	0.992	0.899	0.416	0.931	0.646
Compound_419	FC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(S(=O)(=O)[O-])(F)F)(F)F)F	0.742	0.178	0.836	0.714	0.199	0.199	0.961	0.262	0.379	0.865	0.292
Compound_420	C=CC(=O)OCC(C(F)F)(F)F	0.993	0.057	0.903	0.771	0.901	0.417	1.0	1.0	0.631	0.993	0.957
Compound_421	CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F	0.505	0.081	0.672	0.672	0.181	0.129	0.881	0.907	0.278	0.607	0.815
Compound_422	FC(C(F)(F)F)(C(F)(F)F)CC1OC1	0.919	0.212	0.232	0.65	0.442	0.085	0.98	0.952	0.735	0.998	0.977
Compound_423	CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)[O-]	0.23	0.33	0.387	0.672	0.304	0.364	0.92	0.96	0.386	0.938	0.49
Compound_424	FC(C(I)(F)F)(C(F)(F)F)F	0.93	0.198	0.726	0.635	0.513	0.251	0.973	0.394	0.264	1.0	0.836
Compound_425	CC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	0.079	0.484	0.694	0.219	0.066	0.998	0.839	0.215	0.999	0.942
Compound_426	OC(=O)C(C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F	0.925	0.015	0.248	0.812	0.765	0.284	0.997	0.873	0.398	0.521	0.962
Compound_427	OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.071	0.346	0.606	0.473	0.147	0.988	0.794	0.214	0.303	0.966
Compound_428	FC(=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F	0.944	0.395	0.745	0.619	0.438	0.017	0.991	0.284	0.263	1.0	0.888
Compound_429	OCCC(C(C(F)(F)F)(F)F)(F)F	0.821	0.078	0.329	0.626	0.245	0.06	0.907	0.131	0.041	0.412	0.875
Compound_430	FC(C(C(=O)O)(F)F)F	0.599	0.021	0.047	0.474	0.371	0.043	0.93	0.998	0.381	0.294	0.916
Compound_431	OCC(C(F)F)(F)F	0.787	0.065	0.5	0.583	0.321	0.084	0.894	0.825	0.335	0.618	0.96
Compound_432	FC(C(C(F)(F)F)(F)F)([I+]c1ccccc1)F	0.906	0.237	0.908	0.684	0.64	0.215	0.999	0.362	0.273	0.996	0.485
Compound_433	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)([I+]c1ccccc1)F	0.929	0.237	0.915	0.69	0.64	0.215	0.999	0.182	0.263	0.996	0.485
Compound_434	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C([I+]c1ccccc1)(F)F)F	0.932	0.237	0.915	0.69	0.695	0.255	0.999	0.182	0.264	0.996	0.485
Compound_435	OCC(C(F)(F)F)(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.875	0.079	0.264	0.646	0.486	0.337	0.937	0.414	0.203	0.265	0.969
Compound_436	FC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.849	0.142	0.698	0.581	0.073	0.094	0.985	0.674	0.375	0.979	0.297
Compound_437	OC(=O)C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.761	0.048	0.159	0.642	0.423	0.058	0.881	0.935	0.264	0.35	0.941
Compound_438	FC(C(C(C1(F)C(F)(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.965	0.25	0.965	0.627	0.305	0.059	0.97	0.562	0.295	0.991	0.361
Compound_439	OC(=O)C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.666	0.031	0.603	0.554	0.299	0.074	0.043	0.942	0.277	0.251	0.899
Compound_440	OP(=O)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.915	0.061	0.119	0.5	0.813	0.411	0.99	0.112	0.146	0.096	0.291
Compound_441	CN(CCCS(=O)(=O)[O-])CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.094	0.328	0.015	0.467	0.206	0.22	0.192	0.406	0.389	0.116	0.511
Compound_442	OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.962	0.098	0.323	0.653	0.401	0.12	0.984	0.067	0.066	0.378	0.747
Compound_443	FC(=O)C(C(Cl)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F	0.678	0.237	0.564	0.638	0.078	0.094	0.939	0.955	0.456	0.825	0.633
Compound_444	O=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F	0.939	0.101	0.44	0.641	0.219	0.026	0.919	0.978	0.708	0.999	0.971
Compound_445	O=C(C(C(C(F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F	0.941	0.101	0.75	0.649	0.22	0.03	0.948	0.872	0.275	0.999	0.971
Compound_446	O=C(NCCSS(=O)(=O)[O-])OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.393	0.101	0.048	0.564	0.444	0.393	0.577	0.92	0.157	0.164	0.566
Compound_447	FC(C(F)(F)F)(C(F)(F)F)[I+]c1ccccc1	0.93	0.237	0.908	0.678	0.64	0.215	0.999	0.298	0.533	0.996	0.485
Compound_448	OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.932	0.098	0.323	0.653	0.251	0.066	0.943	0.067	0.065	0.378	0.747
Compound_449	C=CCC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(=O)OC	0.801	0.061	0.569	0.748	0.796	0.049	0.994	0.998	0.11	0.995	0.878
Compound_450	FC(C(F)(F)F)(OC1(F)OC(F)(C(F)(F)F)C(OC1(F)C(F)(F)F)(F)F)F	0.863	0.276	0.269	0.65	0.51	0.12	0.934	0.945	0.252	0.883	0.29
Compound_451	C=CCC(=C(C(C(F)(F)F)(F)F)F)C(F)(F)F	0.869	0.239	0.96	0.719	0.62	0.025	0.997	0.982	0.116	0.999	0.964
Compound_452	C=CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.938	0.085	0.865	0.71	0.599	0.052	0.998	0.888	0.244	1.0	0.902
Compound_453	FC1(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F	0.609	0.436	0.578	0.56	0.244	0.094	0.347	0.959	0.333	0.637	0.611
Compound_454	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F)(F)F	0.96	0.076	0.727	0.64	0.433	0.045	0.988	0.329	0.772	1.0	0.885
Compound_455	FC(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F	0.969	0.224	0.55	0.601	0.613	0.078	0.888	0.129	0.645	0.999	0.191
Compound_456	O=C1C=CC(=O)N1CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.72	0.6	0.83	0.743	0.647	0.57	0.867	0.861	0.427	0.657	0.729
Compound_457	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCCN1C(=O)C=CC1=O)F	0.72	0.6	0.83	0.743	0.647	0.57	0.867	0.861	0.427	0.657	0.729
Compound_458	O=C(ON1C(=O)CCC1=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.573	0.485	0.64	0.703	0.548	0.331	0.879	0.823	0.18	0.192	0.735
Compound_459	ICC(=O)NCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.36	0.113	0.13	0.451	0.327	0.457	0.104	0.535	0.357	0.235	0.586
Compound_460	ICC(=O)NCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.36	0.113	0.13	0.451	0.327	0.457	0.104	0.535	0.357	0.235	0.586
Compound_461	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCCN=N#N)F	0.93	0.148	0.321	0.653	0.408	0.316	0.988	0.428	0.242	0.229	0.686
Compound_462	N#N=NCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.93	0.148	0.321	0.653	0.408	0.316	0.988	0.428	0.242	0.229	0.686
Compound_463	FC(=C(C(C(C(F)(F)F)(F)F)(Oc1ccc(cc1)S(=O)(=O)[O-])F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F	0.778	0.472	0.464	0.602	0.445	0.429	0.906	0.826	0.228	0.981	0.235
Compound_464	FC(C(=C(C(C(F)(F)F)(F)F)Oc1ccc(cc1)S(=O)(=O)[O-])C(F)(F)F)(F)F	0.774	0.492	0.818	0.589	0.445	0.429	0.906	0.922	0.223	0.981	0.22
Compound_465	FC(C(OCC1OC1)(F)F)F	0.865	0.158	0.63	0.679	0.643	0.158	0.803	0.996	0.549	0.989	0.974
Compound_466	CCOCCOC(C(F)F)(F)F	0.831	0.123	0.815	0.608	0.36	0.078	0.94	0.857	0.455	0.985	0.948
Compound_467	CN(CCCS(=O)(=O)[O-])CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.109	0.328	0.015	0.467	0.239	0.262	0.239	0.406	0.389	0.116	0.511
Compound_468	CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]	0.227	0.29	0.218	0.683	0.392	0.058	0.834	0.959	0.301	0.668	0.677
Compound_469	FC(C(F)(F)F)C(C(C(F)(F)F)(C(F)(F)F)F)F	0.941	0.076	0.514	0.605	0.212	0.034	0.97	0.859	0.695	1.0	0.885
Compound_470	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(Cl)F)(Cl)F)(F)F	0.953	0.079	0.643	0.603	0.569	0.113	0.992	0.235	0.68	0.999	0.922
Compound_471	FC(C(F)(F)F)(C(F)(F)F)OC(C(Cl)(F)F)(Cl)F	0.913	0.108	0.589	0.63	0.339	0.071	0.99	0.948	0.425	0.999	0.99
Compound_472	FC(=C(OC(C(Br)(F)F)(F)F)F)F	0.892	0.363	0.928	0.627	0.372	0.043	0.918	0.958	0.479	1.0	0.968
Compound_473	FC(C(F)(F)F)(c1nc(nc(n1)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)F	0.881	0.239	0.723	0.621	0.432	0.174	0.135	0.859	0.407	0.531	0.226
Compound_474	NCCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.203	0.114	0.006	0.304	0.118	0.116	0.136	0.026	0.348	0.002	0.302
Compound_475	O=C(C=CC(=O)O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.979	0.058	0.203	0.716	0.962	0.631	0.988	0.993	0.417	0.611	0.962
Compound_476	OC(=O)C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F	0.677	0.023	0.542	0.604	0.384	0.042	0.924	0.992	0.332	0.304	0.94
Compound_477	OC(=O)C(C(C(OC(C(Cl)(F)F)(Cl)F)(F)F)(F)F)(F)F	0.82	0.014	0.902	0.664	0.437	0.081	0.992	0.925	0.435	0.465	0.971
Compound_478	FC(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F)(F)F	0.948	0.076	0.726	0.628	0.307	0.024	0.97	0.299	0.257	1.0	0.885
Compound_479	COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl	0.867	0.63	0.79	0.782	0.997	0.983	0.355	0.161	0.316	0.579	0.92
Compound_480	COc1ccc(cc1)C(c1ccccc1)(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl	0.855	0.63	0.79	0.776	0.994	0.982	0.355	0.176	0.32	0.907	0.944
Compound_481	OC(=O)C(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.928	0.015	0.248	0.812	0.604	0.068	0.997	0.873	0.151	0.521	0.962
Compound_482	OC(=O)C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.048	0.231	0.639	0.456	0.041	0.82	0.98	0.144	0.071	0.92
Compound_483	FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F)(F)F)(F)F)(F)F	0.952	0.076	0.543	0.629	0.491	0.052	0.969	0.308	0.256	1.0	0.885
Compound_484	OC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C	0.977	0.127	0.089	0.807	0.884	0.219	0.951	0.696	0.44	0.879	0.836
Compound_485	FC(OC(C(C(Br)(F)F)(Br)F)(F)F)(F)F	0.91	0.077	0.858	0.67	0.437	0.117	0.993	0.88	0.46	0.999	0.983
Compound_486	OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C	0.977	0.117	0.048	0.713	0.914	0.234	0.981	0.736	0.584	0.879	0.822
Compound_487	O=C(C(=C)C)OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.134	0.809	0.736	0.733	0.045	0.996	0.984	0.459	0.999	0.97
Compound_488	OCc1ccc(cc1)OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.581	0.182	0.853	0.692	0.928	0.487	0.937	0.157	0.077	0.168	0.735
Compound_489	OCc1ccc(cc1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.643	0.132	0.728	0.649	0.6	0.306	0.976	0.388	0.124	0.334	0.695
Compound_490	ClC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.998	0.094	0.585	0.7	0.5	0.167	0.999	0.837	0.096	0.994	0.98
Compound_491	ICCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.991	0.176	0.61	0.676	0.615	0.327	0.996	0.151	0.249	0.998	0.866
Compound_492	ClSC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.888	0.135	0.285	0.527	0.412	0.057	0.996	0.08	0.299	1.0	0.761
Compound_493	OCC(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.97	0.071	0.346	0.606	0.473	0.147	0.988	0.794	0.214	0.303	0.966
Compound_494	FC(C(C(F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F	0.834	0.239	0.831	0.62	0.417	0.204	0.135	0.324	0.395	0.531	0.226
Compound_495	Clc1nc(OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nc(n1)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.928	0.253	0.69	0.665	0.562	0.335	0.72	0.547	0.309	0.369	0.802
Compound_496	FC(C(C(Br)(F)F)(F)F)(C(C(C(Br)(F)F)(F)F)(F)F)F	0.937	0.064	0.745	0.662	0.466	0.117	0.995	0.182	0.673	1.0	0.937
Compound_497	OC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C[N+](C)(C)C	0.708	0.14	0.029	0.597	0.237	0.093	0.746	0.078	0.009	0.011	0.19
Compound_498	O=C(N1C(=O)CCC1=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.921	0.429	0.473	0.654	0.423	0.372	0.943	0.774	0.171	0.261	0.767
Compound_499	ClC(=O)OCC1c2cc(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)ccc2c2c1cc(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc2	0.818	0.707	0.94	0.708	0.931	0.643	0.964	0.92	0.322	0.942	0.973
Compound_500	FC(C(C(S(=O)(=O)O)(F)F)(C(F)(F)F)F)(F)F	0.705	0.128	0.066	0.57	0.19	0.187	0.965	0.966	0.38	0.889	0.22
Compound_501	OCCN(S(=O)(=O)C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)C	0.084	0.269	0.324	0.667	0.161	0.072	0.592	0.328	0.27	0.014	0.627
Compound_502	OCCN(S(=O)(=O)C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)CCO	0.064	0.21	0.291	0.666	0.262	0.151	0.774	0.296	0.292	0.143	0.636
Compound_503	CC(OC(COCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C)COCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.863	0.107	0.152	0.674	0.799	0.397	0.929	0.185	0.166	0.606	0.61
Compound_504	CC(OC(COCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C)COCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.863	0.107	0.152	0.674	0.724	0.38	0.924	0.185	0.166	0.606	0.61
Compound_505	CC(OC(COCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C)COCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.863	0.137	0.084	0.612	0.775	0.323	0.964	0.173	0.226	0.606	0.613
Compound_506	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.875	0.136	0.204	0.599	0.758	0.698	0.924	0.204	0.34	0.596	0.69
Compound_507	CC[NH+](CCC(=O)[O-])CCCNCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.188	0.192	0.012	0.397	0.329	0.02	0.029	0.025	0.309	0.011	0.315
Compound_508	OC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNCCC[N+](CCC(=O)[O-])(C)C	0.181	0.218	0.009	0.414	0.329	0.02	0.029	0.009	0.168	0.001	0.189
Compound_509	OCC[N+](CC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(CCO)C	0.539	0.262	0.02	0.581	0.392	0.166	0.844	0.077	0.415	0.003	0.284
Compound_510	OCC[N+](CC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(CCO)C	0.539	0.262	0.02	0.581	0.392	0.166	0.844	0.077	0.415	0.003	0.284
Compound_511	OCC[N+](CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(CCO)C	0.539	0.262	0.02	0.581	0.392	0.166	0.844	0.077	0.415	0.003	0.284
Compound_512	CC[N+](CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC)C	0.101	0.423	0.026	0.618	0.248	0.202	0.213	0.586	0.376	0.644	0.573
Compound_513	OCCN(S(=O)(=O)c1ccc(cc1)OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)CCO	0.267	0.559	0.295	0.655	0.425	0.538	0.931	0.127	0.283	0.176	0.401
Compound_514	O=C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)C(F)(F)F	0.933	0.101	0.671	0.629	0.224	0.025	0.923	0.868	0.368	0.999	0.971
Compound_515	FC(C(C(F)(F)F)(C(F)(F)F)F)(S(=O)(=O)OS(=O)(=O)C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F	0.84	0.167	0.704	0.604	0.16	0.087	0.969	0.9	0.387	0.97	0.251
Compound_516	FC(C(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F	0.818	0.124	0.408	0.624	0.141	0.074	0.991	0.279	0.373	0.997	0.266
Compound_517	CC[N+](CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC)C	0.101	0.403	0.015	0.515	0.193	0.143	0.165	0.533	0.382	0.68	0.576
Compound_518	CCCCCCCCC=CCCCCCCCCOC(=O)Nc1cc(ccc1C)NC(=O)OCCN(S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.728	0.603	0.791	0.69	0.71	0.588	0.877	0.725	0.411	0.825	0.633
Compound_519	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(SSC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.869	0.094	0.872	0.664	0.536	0.093	0.995	0.563	0.283	1.0	0.75
Compound_520	FC(C(=C(C(C(F)(F)F)(F)F)C(F)(F)F)C(C(F)(F)F)(Oc1ccc(cc1)S(=O)(=O)[O-])F)(F)F	0.734	0.492	0.429	0.512	0.445	0.429	0.906	0.89	0.23	0.981	0.22
Compound_521	FC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Oc1ccc(cc1)S(=O)(=O)[O-]	0.745	0.492	0.805	0.6	0.5	0.507	0.966	0.867	0.21	0.981	0.299
Compound_522	C[N+](CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.24	0.468	0.037	0.534	0.255	0.178	0.138	0.501	0.366	0.241	0.588
Compound_523	CCCCOCCOCCOCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.888	0.127	0.147	0.662	0.724	0.38	0.924	0.097	0.378	0.93	0.727
Compound_524	FC(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F	0.978	0.145	0.535	0.691	0.649	0.17	0.996	0.721	0.242	0.998	0.976
Compound_525	FC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F	0.978	0.145	0.535	0.691	0.709	0.217	0.998	0.721	0.242	0.998	0.976
Compound_526	FC(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(CC1OC1)(F)F)(F)F)(F)F)F	0.978	0.145	0.535	0.691	0.709	0.217	0.998	0.721	0.242	0.998	0.976
Compound_527	OC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COP(=O)(O)O	0.925	0.228	0.028	0.489	0.547	0.174	0.865	0.03	0.087	0.118	0.286
Compound_528	OCC[N+](CC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(CCO)C	0.539	0.312	0.01	0.54	0.357	0.13	0.784	0.097	0.5	0.003	0.306
Compound_529	OCC[N+](CC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(CCO)C	0.539	0.312	0.01	0.54	0.357	0.13	0.784	0.097	0.5	0.003	0.306
Compound_530	OCC[N+](CC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(CCO)C	0.539	0.312	0.01	0.54	0.357	0.13	0.784	0.097	0.5	0.003	0.306
Compound_531	OC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNCCCN(C)C	0.177	0.182	0.002	0.208	0.229	0.045	0.036	0.208	0.162	0.004	0.231
Compound_532	OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.949	0.064	0.18	0.615	0.543	0.17	0.974	0.011	0.051	0.056	0.639
Compound_533	OC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN1CC1	0.633	0.283	0.244	0.237	0.792	0.543	0.91	0.234	0.039	0.808	0.547
Compound_534	C=COCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.88	0.101	0.097	0.618	0.825	0.372	0.99	0.305	0.092	0.658	0.889
Compound_535	[O-]C(=O)CN(CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C	0.558	0.098	0.028	0.262	0.439	0.036	0.841	0.441	0.029	0.007	0.438
Compound_536	CC1(C)OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.943	0.157	0.41	0.703	0.592	0.231	0.998	0.812	0.288	0.717	0.808
Compound_537	OC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COc1ccccc1	0.658	0.176	0.189	0.582	0.908	0.184	0.99	0.058	0.123	0.147	0.623
Compound_538	C=CC(=O)OCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.003	0.054	0.835	0.784	0.944	0.571	1.0	0.998	0.403	0.995	0.956
Compound_539	CCCCCCCCC=CCCCCCCCCOC(=O)Nc1cc(ccc1C)NC(=O)OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.728	0.583	0.871	0.737	0.703	0.59	0.754	0.799	0.405	0.801	0.629
Compound_540	FC(C(=C1C(F)(OCCOC1(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F	0.929	0.471	0.126	0.621	0.784	0.252	0.933	0.915	0.452	0.977	0.936
Compound_541	OC(=O)C(C(N1C(F)(F)C(F)(F)N(C(C1(F)F)(F)F)C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F	0.18	0.315	0.016	0.362	0.361	0.03	0.192	0.998	0.259	0.074	0.559
Compound_542	FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(C(OC(C(OC1(F)F)(F)F)(F)F)(F)F)(F)F	0.829	0.248	0.64	0.62	0.464	0.083	0.711	0.996	0.474	0.992	0.791
Compound_543	Oc1ccc2c(c1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F	0.885	0.814	0.049	0.819	0.985	0.936	0.117	0.691	0.354	0.997	0.5
Compound_544	C=CC(=O)OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O	0.976	0.081	0.266	0.784	0.966	0.746	0.976	0.985	0.3	0.669	0.768
Compound_545	ICCC(C(F)(F)F)(C(F)(F)F)F	0.942	0.185	0.562	0.629	0.405	0.189	0.97	0.931	0.57	0.998	0.85
Compound_546	O=C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.922	0.036	0.634	0.705	0.43	0.035	0.989	0.925	0.288	0.575	0.961
Compound_547	OCCCC(C(F)(F)F)(F)F	0.81	0.098	0.327	0.621	0.245	0.06	0.907	0.06	0.07	0.378	0.747
Compound_548	FC(C(C(F)(F)F)(Cl)F)(C(F)(F)F)Cl	0.943	0.068	0.745	0.648	0.599	0.096	0.993	0.303	0.68	0.999	0.931
Compound_549	O=C(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F	0.911	0.036	0.611	0.689	0.364	0.029	0.97	0.934	0.328	0.575	0.961
Compound_550	FC(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F	0.966	0.313	0.912	0.635	0.28	0.076	0.97	0.777	0.266	0.998	0.829
Compound_551	OCC(C(C(F)(F)F)F)(F)F	0.8	0.062	0.437	0.623	0.247	0.055	0.907	0.364	0.185	0.7	0.959
Compound_552	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.985	0.065	0.855	0.644	0.279	0.062	0.989	0.182	0.29	1.0	0.9
Compound_553	Cc1cc(Cc2cc(C)c(c(c2)C(C)(C)C)O)cc(c1O)C(C)(C)C	0.709	0.554	0.386	0.536	0.772	0.996	0.056	0.935	0.939	0.994	0.909
Compound_554	Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(cc1)O	0.962	0.714	0.344	0.641	0.984	0.997	0.948	0.938	0.809	0.955	0.982
Compound_555	Oc1ccc(cc1)C(c1ccc(cc1)C(c1ccc(cc1)O)(c1ccc(cc1)O)C)(C)C	0.979	0.634	0.744	0.64	1.0	1.0	0.898	0.957	0.657	0.876	0.863
Compound_556	CC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.894	0.472	0.352	0.601	0.812	0.996	0.379	0.968	0.919	0.997	0.945
Compound_557	Oc1ccc(c(c1)C)C1(OS(=O)(=O)c2c1cccc2)c1ccc(cc1C)O	0.086	0.611	0.542	0.699	0.941	0.787	0.132	0.524	0.432	0.955	0.279
Compound_558	Oc1cc(O)c(c(c1)O)C(=O)c1ccc(c(c1)O)O	0.954	0.761	0.901	0.785	0.939	0.898	0.936	0.972	0.424	0.953	0.658
Compound_559	Oc1ccc(cc1c1ccccc1)C(c1ccc(c(c1)c1ccccc1)O)(C)C	0.982	0.563	0.829	0.787	0.993	1.0	0.39	0.996	0.671	0.878	0.777
Compound_560	Oc1ccc(cc1)S(=O)(=O)c1ccccc1O	0.478	0.588	0.645	0.698	0.453	0.374	0.576	0.549	0.557	0.84	0.391
Compound_561	O=C(CC(c1ccc(c(c1)C(C)(C)C)O)(c1ccc(c(c1)C(C)(C)C)O)C)OCCOC(=O)CC(c1cc(C)c(c(c1)C(C)(C)C)O)(c1ccc(c(c1)C(C)(C)C)O)C	0.87	0.554	0.276	0.704	0.998	0.997	0.56	0.891	0.745	0.95	0.779
Compound_562	Oc1ccc(cc1)Cc1ccccc1O	0.882	0.593	0.831	0.656	0.802	0.971	0.942	0.947	0.823	0.845	0.679
Compound_563	Oc1ccc(cc1)C(c1ccccc1O)(C)C	0.96	0.517	0.851	0.659	0.901	0.986	0.865	0.964	0.723	0.981	0.939
Compound_564	Oc1ccc(c(c1)O)Sc1ccc(cc1O)O	0.574	0.638	0.861	0.66	0.628	0.327	0.909	0.68	0.667	0.926	0.785
Compound_565	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_566	Oc1ccc(cc1C(C)(C)C)C(c1ccc(c(c1)C(C)(C)C)O)(C)C	0.953	0.472	0.802	0.653	0.899	1.0	0.342	0.976	0.835	0.997	0.945
Compound_567	CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]	0.962	0.065	0.039	0.475	0.13	0.548	0.999	0.867	0.093	0.994	0.374
Compound_568	CC(CC(CC(=O)C)C)C	0.943	0.04	0.628	0.422	0.035	0.009	0.933	0.589	0.484	0.977	0.804
Compound_569	CC(OP(=S)(OC(CC(C)C)C)S)CC(C)C	0.842	0.139	0.147	0.316	0.122	0.028	0.989	0.014	0.656	0.991	0.66
Compound_570	O=C(C(=C)C)OCCOP(=O)(OCCOC(=O)C(=C)C)O	0.954	0.19	0.027	0.433	0.577	0.14	0.938	0.046	0.704	0.818	0.442
Compound_571	CCCCOCCCOC(CC)O	0.76	0.182	0.059	0.554	0.053	0.158	0.762	0.507	0.517	0.889	0.339
Compound_572	CC(CCCCCCCOP(=O)([O-])[O-])C	0.99	0.049	0.777	0.577	0.095	0.04	0.993	0.454	0.149	0.953	0.753
Compound_573	[O-]C(=O)CNCO	0.073	0.065	0.012	0.226	0.066	0.003	0.0	0.061	0.055	0.007	0.359
Compound_574	CCCCCC(CSSc1nnc(s1)SSCC(CCCCC)(C)C)(C)C	0.766	0.522	0.697	0.578	0.639	0.709	0.989	0.874	0.549	0.977	0.668
Compound_575	CCCCC(CN(CCC(=O)O)CCC(=O)[O-])CC	0.197	0.141	0.025	0.139	0.039	0.044	0.004	0.258	0.17	0.219	0.509
Compound_576	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_577	CCCC(C(C(=O)O)(CCC)CCC)(C(=O)O)/C=C/C	0.824	0.083	0.145	0.245	0.554	0.06	0.872	0.525	0.835	0.94	0.526
Compound_578	CCCCCCCCCCCCc1c(cccc1S(=O)(=O)[O-])Oc1ccccc1S(=O)(=O)[O-]	0.589	0.675	0.448	0.47	0.486	0.633	0.688	0.99	0.45	0.931	0.25
Compound_579	CCCCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_580	CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-]	0.762	0.533	0.842	0.466	0.338	0.687	0.94	0.986	0.511	0.995	0.198
Compound_581	CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC	0.066	0.78	0.557	0.473	0.787	0.53	0.938	0.963	0.655	0.401	0.768
Compound_582	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O	0.337	0.464	0.412	0.347	0.5	0.19	0.965	0.095	0.87	0.954	0.481
Compound_583	CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC	0.835	0.003	0.251	0.736	0.105	0.106	0.998	0.649	0.35	0.998	0.912
Compound_584	[O-]S(=O)(=O)c1ccc2c(c1)C1=NC2=Nc2[n-]c(c3c2cccc3)N=C2N=C(N=c3[n-]c(=N1)c1ccccc31)c1c2cc(cc1)S(=O)(=O)[O-]	0.552	0.435	0.986	0.697	0.734	0.659	0.272	0.99	0.442	0.725	0.31
Compound_585	CCC1CCCCC1	0.99	0.113	0.294	0.505	0.123	0.047	0.988	0.845	0.95	1.0	0.5
Compound_586	CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO	0.314	0.334	0.474	0.58	0.1	0.362	0.062	0.784	0.938	0.235	0.17
Compound_587	CC(S(=O)(=O)[O-])(c1ccccc1)C	0.741	0.269	0.603	0.432	0.028	0.107	0.986	0.596	0.394	0.977	0.131
Compound_588	CCCCCCCCCCCC(=O)OCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_589	COCCCN	0.078	0.114	0.089	0.356	0.008	0.009	0.004	0.008	0.32	0.017	0.271
Compound_590	CCCCCCCCCC(SSc1nnc(s1)SSC(CCCCCCCCC)(C)C)(C)C	0.852	0.528	0.068	0.546	0.61	0.7	0.999	0.829	0.598	0.98	0.676
Compound_591	CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.089	0.143	0.008	0.128	0.096	0.308	0.777	0.456	0.283	0.521	0.577
Compound_592	CCCCCCC(C(C)(C)C)CCC(C(C)(C)C)CCc1ccc(cc1)O	0.934	0.261	0.343	0.531	0.783	0.979	0.693	0.828	0.909	0.977	0.765
Compound_593	CCCCCCCCCCCCCC[C@H](c1cccc2c1cccc2)C	0.934	0.463	0.437	0.624	0.204	0.437	0.955	0.964	0.975	1.0	0.918
Compound_594	CCCCN(CCO)CCO	0.051	0.068	0.13	0.118	0.035	0.056	0.004	0.184	0.849	0.14	0.218
Compound_595	NC(=O)NC(=O)N	0.352	0.106	0.026	0.228	0.374	0.033	0.018	0.022	0.587	0.06	0.341
Compound_596	C[C-]1C=CC=C1	0.904	0.269	0.819	0.559	0.015	0.015	0.989	0.822	0.933	0.997	0.897
Compound_597	OCCN1CCN(CC1)CCO	0.031	0.14	0.176	0.099	0.026	0.014	0.0	0.839	0.124	0.023	0.08
Compound_598	CCCCCCCCCCCCc1ccccc1	0.9	0.12	0.443	0.557	0.124	0.149	0.999	0.926	0.972	1.0	0.528
Compound_599	Cc1cc(N=Nc2ccc(cc2)NN=C2C(=O)c3c(N)cc(cc3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc1NN=C1C(=O)c2c(N)cc(cc2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.597	0.503	0.976	0.522	0.742	0.672	0.882	0.975	0.414	0.245	0.175
Compound_600	CCCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCCC	0.442	0.627	0.96	0.54	0.416	0.102	0.297	0.443	0.619	0.073	0.643
Compound_601	O=C(C(=C)C)OCCOc1ccc(cc1)C(c1ccc(cc1)OCCOC(=O)C(=C)C)(C)C	0.632	0.524	0.702	0.765	0.94	0.977	0.997	0.973	0.821	0.954	0.686
Compound_602	C=CCCCCCCCCCCCCCCCCC1CC(=O)OC1=O	0.92	0.207	0.476	0.645	0.55	0.135	0.998	0.999	0.418	0.992	0.75
Compound_603	C=CCCCCCCC(C(=O)[O-])CC(=O)[O-]	0.963	0.087	0.134	0.358	0.374	0.016	0.863	0.675	0.301	0.999	0.956
Compound_604	CCCCOC(CC)O	0.654	0.094	0.071	0.564	0.04	0.117	0.81	0.494	0.511	0.82	0.524
Compound_605	CCCCCOP(=O)(OCCCCC)O	0.825	0.069	0.04	0.421	0.092	0.049	0.939	0.028	0.559	0.892	0.446
Compound_606	CCCCOC1OC(CO)C(C(C1O)O)O	0.198	0.155	0.015	0.497	0.072	0.122	0.151	0.075	0.552	0.489	0.017
Compound_607	Nc1ccc2c(c1)C=C(C(=NNc1ccc(c3c1cc(cc3)S(=O)(=O)[O-])N=Nc1ccc(c3c1cccc3)N=Nc1cc3c(c(c1)S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-]	0.618	0.503	0.999	0.624	0.741	0.712	0.976	0.99	0.415	0.135	0.193
Compound_608	CCCCCCCCS(=O)(=O)[O-]	0.886	0.085	0.207	0.389	0.076	0.098	0.996	0.957	0.271	0.998	0.273
Compound_609	OCCN(CP(=O)(O)O)CP(=O)(O)O	0.105	0.08	0.005	0.061	0.118	0.145	0.003	0.013	0.11	0.019	0.257
Compound_610	CCC(COC(=O)C)C	0.814	0.02	0.094	0.569	0.049	0.012	0.991	0.431	0.837	0.843	0.851
Compound_611	COc1cc(N=Nc2cc(cc3c2c(O)cc(c3)S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1N=Nc1c(O)c2c(Nc3nc(Nc4ccccc4)nc(n3)Nc3ccc(cc3)N=Nc3ccc(c(c3)C(=O)[O-])O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])C	0.77	0.438	0.998	0.537	0.739	0.684	0.968	0.892	0.428	0.038	0.371
Compound_612	CCCCCCCCCCCCc1ccc(cc1)N/N=C/1\C=CC(=O)/C(=N/Nc2ccc(cc2)CCCCCCCCCCCC)/C1=O	0.79	0.655	0.068	0.406	0.862	0.975	0.996	0.2	0.646	0.979	0.732
Compound_613	CC(CC(c1ccc2c(c1)cccc2Nc1ccccc1)(C)C)(C)C	0.878	0.648	0.807	0.604	0.887	0.812	0.939	0.877	0.713	0.981	0.899
Compound_614	CC(CC(SSSSC(CC(C)(C)C)(C)C)(CSSSSC(CC(C)(C)C)(C)C)C)(C)C	0.733	0.064	0.051	0.5	0.531	0.694	0.996	0.487	0.739	0.996	0.645
Compound_615	CN(Cc1c(cccc1O)CN(C)C)C	0.235	0.241	0.518	0.32	0.049	0.071	0.007	0.948	0.363	0.054	0.019
Compound_616	COc1cc(c(cc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-])C)S(=O)(=O)[O-]	0.574	0.634	0.998	0.724	0.656	0.662	0.882	0.976	0.413	0.791	0.303
Compound_617	CCCCC(COC(=O)C=CC(=O)O)CC	0.951	0.04	0.039	0.459	0.797	0.48	0.893	0.886	0.88	0.981	0.922
Compound_618	CCCl	0.913	0.155	0.428	0.63	0.132	0.023	0.985	0.989	0.981	0.999	0.892
Compound_619	OCC[n+]1ccc(cc1)C=Cc1ccc(cc1)N(Cc1ccccc1)CC	0.274	0.477	0.379	0.509	0.321	0.866	0.067	0.693	0.47	0.108	0.381
Compound_620	OCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(CCc1ccccc1)CC	0.23	0.435	0.42	0.504	0.374	0.894	0.057	0.867	0.451	0.192	0.404
Compound_621	CCCCCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.701	0.898	0.827	0.949	0.963	0.978	0.723
Compound_622	CC(SC(C)(C)C)(C)C	0.797	0.059	0.057	0.515	0.179	0.021	0.952	0.687	0.819	0.999	0.746
Compound_623	O=C1CCCCCCCCCC=CCCCO1	0.958	0.174	0.467	0.736	0.428	0.07	0.997	0.975	0.243	0.998	0.828
Compound_624	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_625	CCCCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCCCC	0.629	0.019	0.222	0.565	0.089	0.272	0.965	0.953	0.419	0.978	0.299
Compound_626	OCCOCCN(CCO)CCO	0.041	0.036	0.11	0.105	0.091	0.113	0.003	0.284	0.614	0.327	0.264
Compound_627	CCCCNc1ccc2c3c1cccc3c(=O)n(c2=O)CCCC	0.618	0.583	0.871	0.435	0.129	0.598	0.913	0.328	0.511	0.029	0.267
Compound_628	CC[N+](=C1C=CC(=C(c2cc(O)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c2ccc(cc2)N(CC)CC)C=C1)CC	0.767	0.675	0.83	0.724	0.674	0.699	0.299	0.998	0.412	0.861	0.391
Compound_629	COCC(OCC(O)C)C	0.632	0.104	0.059	0.502	0.093	0.104	0.675	0.416	0.277	0.455	0.594
Compound_630	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_631	CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]	0.962	0.065	0.039	0.475	0.13	0.548	0.999	0.867	0.093	0.994	0.374
Compound_632	[O-]S(=O)(=O)c1c(ccc2c1cccc2)Cc1ccc2c(c1S(=O)(=O)[O-])cccc2	0.661	0.606	0.934	0.452	0.731	0.788	0.947	0.99	0.445	0.988	0.113
Compound_633	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_634	CCCCCCCCCCc1cccc(c1S(=O)(=O)[O-])Oc1ccccc1S(=O)(=O)[O-]	0.771	0.675	0.442	0.442	0.539	0.525	0.808	0.973	0.444	0.931	0.25
Compound_635	CCCOCC#C	0.726	0.125	0.308	0.519	0.041	0.108	0.995	0.306	0.597	0.999	0.739
Compound_636	CC(=O)OC1=CCC2C1C1CCC2C1	0.951	0.548	0.178	0.592	0.777	0.089	0.717	0.977	0.603	1.0	0.37
Compound_637	Clc1c2C(=NC(=O)c2c(c(c1Cl)Cl)Cl)Nc1ccc(cc1)NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl	0.885	0.7	0.893	0.559	0.657	0.69	0.977	0.875	0.464	0.868	0.809
Compound_638	CCCCCCCCCCCCc1ccc(cc1)N/N=C/1\C(=O)C=C/C(=N/Nc2ccc(cc2C)C)/C1=O	0.767	0.702	0.068	0.419	0.84	0.963	0.991	0.191	0.523	0.992	0.736
Compound_639	CC(COC(=O)CCCC(=O)OCC(C)C)C	0.62	0.015	0.122	0.675	0.091	0.024	0.967	0.597	0.444	0.993	0.829
Compound_640	CCl	0.907	0.1	0.433	0.553	0.604	0.08	0.979	0.932	0.92	0.996	0.853
Compound_641	CCCCC(CN(Cn1nnc2c1ccc(c2)C)CC(CCCC)CC)CC	0.35	0.699	0.415	0.172	0.356	0.492	0.79	0.211	0.892	0.884	0.319
Compound_642	CCOC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)OCC)O)[C@@H]([C@H]([C@@H]1O)COCC)O	0.511	0.471	0.021	0.448	0.131	0.432	0.445	0.012	0.335	0.517	0.326
Compound_643	COC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)OC(C)C	0.655	0.215	0.045	0.539	0.078	0.265	0.151	0.459	0.656	0.069	0.028
Compound_644	OCCN(c1cccc(c1)C)CCO	0.234	0.249	0.326	0.399	0.073	0.09	0.018	0.124	0.467	0.011	0.316
Compound_645	CC(COC(=O)CCC(=O)OCC(C)C)C	0.788	0.015	0.111	0.646	0.101	0.044	0.965	0.469	0.526	0.993	0.829
Compound_646	O=C(C(=C)C)OCCOCCOCCOCCOC(=O)C(=C)C	0.969	0.156	0.162	0.672	0.667	0.163	0.998	0.723	0.908	0.999	0.951
Compound_647	[O-]c1cc(ccc1N=Nc1c2ccc(cc2cc(c1[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)[O-])N=Nc1c2ccc(cc2cc(c1[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	0.835	0.541	0.995	0.69	0.735	0.687	0.949	0.998	0.491	0.594	0.155
Compound_648	CCCCC(CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)CC	0.295	0.26	0.011	0.46	0.066	0.091	0.272	0.031	0.658	0.765	0.076
Compound_649	O[P+](=O)CN(=O)(CP(=O)(O)O)CP(=O)(O)O	0.447	0.223	0.032	0.279	0.532	0.235	0.018	0.014	0.72	0.03	0.5
Compound_650	COCCOCCOCCOCCOCCO	0.628	0.114	0.107	0.466	0.122	0.214	0.252	0.363	0.283	0.497	0.575
Compound_651	CCN(c1ccc(cc1)N=Nc1ccccc1)CC	0.943	0.888	0.958	0.589	0.441	0.961	0.902	0.886	0.879	0.973	0.589
Compound_652	Cc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1	0.88	0.659	0.932	0.676	0.907	0.343	0.978	0.662	0.672	0.961	0.672
Compound_653	OCC(NC)(C)C	0.027	0.062	0.022	0.271	0.004	0.003	0.003	0.046	0.181	0.005	0.112
Compound_654	CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC	0.929	0.697	0.928	0.736	0.9	0.36	0.977	0.947	0.57	0.523	0.823
Compound_655	O[C@@H]1NC(=O)N[C@@H]1O	0.025	0.168	0.061	0.315	0.062	0.029	0.0	0.046	0.489	0.079	0.364
Compound_656	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)CC	0.985	0.065	0.431	0.623	0.56	0.166	0.995	0.969	0.294	1.0	0.95
Compound_657	NC(=O)C(C(=O)N)(Br)Br	0.358	0.106	0.099	0.368	0.587	0.189	0.501	0.394	0.469	0.256	0.77
Compound_658	O=C1N(Cc2ccc3c(c2)c(=O)c2c([nH]3)cc3c(c2)[nH]c2c(c3=O)cccc2)C(=O)c2c1cccc2	0.554	0.627	0.961	0.421	0.747	0.533	0.997	0.893	0.635	0.128	0.908
Compound_659	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_660	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_661	NCC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccc(cc1)O	0.237	0.308	0.001	0.175	0.082	0.128	0.002	0.012	0.291	0.004	0.022
Compound_662	OCCOC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)OCCO)O)[C@@H]([C@H]([C@@H]1O)COCCO)O	0.511	0.478	0.005	0.445	0.157	0.573	0.212	0.045	0.298	0.527	0.054
Compound_663	CCC(OP(=S)(OCCCCCC(C)C)[S-])C	0.884	0.087	0.712	0.648	0.126	0.026	0.992	0.6	0.221	0.999	0.881
Compound_664	CCCCC(CN(Cn1nnc2c1cccc2C)CC(CCCC)CC)CC	0.363	0.699	0.327	0.154	0.299	0.371	0.866	0.12	0.85	0.884	0.319
Compound_665	CC1CCCC1	0.949	0.189	0.294	0.456	0.049	0.023	0.973	0.817	0.7	0.996	0.646
Compound_666	CC(C(C=CC1CC=C(C1(C)C)C)(C)C)O	0.815	0.328	0.072	0.617	0.52	0.092	0.119	0.962	0.604	0.972	0.986
Compound_667	Oc1ccccc1C1CCCCC1	0.674	0.359	0.381	0.691	0.567	0.653	0.809	0.884	0.548	0.973	0.69
Compound_668	CC(=CC=CC=C(C=CC=C(C=CC1=C(C)C[C@H](CC1(C)C)O)C)C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\C	0.901	0.815	0.585	0.735	0.934	0.933	0.109	0.984	0.693	0.997	0.918
Compound_669	CCC(=O)OCC(OC(C1CCCC(C1)(C)C)C)(C)C	0.973	0.097	0.033	0.653	0.346	0.21	0.955	0.903	0.212	0.933	0.39
Compound_670	CC1(C)[C@H]2CC[C@@]3([C@H]1C1(OCCO1)CCC3(C)C)C2	0.958	0.556	0.339	0.384	0.732	0.471	0.586	0.194	0.398	0.991	0.71
Compound_671	OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C	0.639	0.604	0.03	0.696	0.911	0.953	0.87	0.61	0.68	0.94	0.756
Compound_672	CC(COCC1OC1)(COCC1OC1)C	0.849	0.294	0.333	0.615	0.892	0.134	0.988	0.543	0.896	0.963	0.877
Compound_673	CCOC(CO)C	0.627	0.136	0.276	0.454	0.074	0.087	0.877	0.307	0.132	0.831	0.775
Compound_674	CCCCCCCCCCCCc1cc(C)cc(c1O)n1nc2c(n1)cccc2	0.486	0.686	0.664	0.649	0.255	0.91	0.704	0.754	0.925	0.915	0.748
Compound_675	CCC(=O)OCC(=O)OC(C1CCCC(C1)(C)C)C	0.958	0.085	0.169	0.652	0.07	0.068	0.987	0.818	0.389	0.735	0.722
Compound_676	O=C1CCCCCCCCCCCCCCC1	0.979	0.113	0.32	0.482	0.09	0.087	0.997	0.683	0.401	0.999	0.855
Compound_677	O=C1c2ccc(cc2C=C(/C/1=N/Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)c1ccccc1	0.703	0.599	0.998	0.69	0.795	0.723	0.919	0.975	0.416	0.364	0.2
Compound_678	CC(CCCCCOC(=O)COc1ccc(cc1C)Cl)C	0.282	0.255	0.977	0.747	0.128	0.158	0.188	0.983	0.418	0.996	0.271
Compound_679	CCCCCCCCCc1ccc(cc1)Nc1ccccc1	0.943	0.412	0.699	0.559	0.75	0.938	0.996	0.933	0.996	0.997	0.796
Compound_680	O=C(Nc1ccc2c(c1)ccc(c2O)N=Nc1ccccc1)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)NC(=O)C)S(=O)(=O)O	0.752	0.452	0.969	0.496	0.82	0.681	0.818	0.869	0.5	0.194	0.342
Compound_681	Nc1cc(cc2c1C(=O)C(=NNc1ccccc1)C(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.516	0.503	0.922	0.474	0.594	0.659	0.948	0.948	0.418	0.135	0.193
Compound_682	O=C(Nc1cc(ccc1Cl)C(F)(F)F)Cn1cnc(n1)N(=O)=O	0.505	0.564	0.772	0.71	0.209	0.711	0.791	0.987	0.52	0.17	0.59
Compound_683	O=[P+](Oc1ccccc1)Oc1ccccc1	0.952	0.616	0.833	0.688	0.5	0.035	0.997	0.762	0.969	0.987	0.843
Compound_684	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.969	0.08	0.57	0.728	0.892	0.907	0.999	1.0	0.95	0.993	0.968
Compound_685	CCC(COC(=O)c1ccccc1O)C	0.543	0.269	0.045	0.604	0.392	0.141	0.126	0.053	0.17	0.283	0.232
Compound_686	CC1CC2=C(CC1(C)C(=O)C)CCCC2(C)C	0.986	0.605	0.433	0.574	0.448	0.415	0.057	0.55	0.492	1.0	0.444
Compound_687	OCCOCCOCCOCCOCC	0.628	0.118	0.285	0.488	0.122	0.214	0.252	0.151	0.208	0.895	0.629
Compound_688	O=C1C=Cc2c(/C/1=N\Nc1ccc(cc1C)S(=O)(=O)[O-])cccc2	0.662	0.477	0.938	0.574	0.513	0.672	0.93	0.987	0.438	0.563	0.158
Compound_689	[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(cc1)Nc1ccccc1	0.964	0.286	0.986	0.556	0.68	0.78	0.65	0.997	0.473	0.495	0.164
Compound_690	CCCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_691	OCC(CCl)Cl	0.768	0.112	0.16	0.601	0.131	0.157	0.978	0.888	0.693	0.857	0.915
Compound_692	Clc1nc(Nc2ccc(cc2)Nc2nc(Cl)nc(n2)Nc2cc(cc3c2C(=O)/C(=N/Nc2ccccc2S(=O)(=O)O)/C(=C3)S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(cc2c1C(=O)/C(=N/Nc1ccccc1S(=O)(=O)O)/C(=C2)S(=O)(=O)O)S(=O)(=O)O	0.654	0.503	0.99	0.505	0.741	0.656	0.686	0.534	0.413	0.164	0.426
Compound_693	CC1CC=CCCCCCCCCCC(=O)C1	0.993	0.165	0.286	0.512	0.256	0.023	0.975	0.63	0.474	1.0	0.767
Compound_694	O=C(Nc1ccc2c(c1)C=C(C(=NNc1ccccc1)C2=O)S(=O)(=O)[O-])Nc1ccc2=C(/C(=N\Nc3ccc(cc3)C(=O)[O-])/C(=O)C=c2c1)S(=O)(=O)[O-]	0.617	0.677	0.99	0.603	0.874	0.85	0.946	0.813	0.419	0.16	0.377
Compound_695	O=C1CCCN1C1CCCCC1	0.583	0.338	0.16	0.442	0.028	0.291	0.028	0.21	0.409	0.706	0.216
Compound_696	CN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.512	0.751	0.678	0.697	0.754	0.662	0.967	0.912	0.974	0.896	0.895
Compound_697	O=C1C(c2ccc3c(n2)c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)C(=O)c2c1cccc2	0.494	0.561	0.979	0.499	0.74	0.66	0.459	0.935	0.583	0.026	0.283
Compound_698	COC(=O)CCc1cc(c(c(c1)n1nc2c(n1)cccc2)O)C(C)(C)C	0.308	0.726	0.735	0.643	0.311	0.883	0.785	0.934	0.601	0.296	0.592
Compound_699	CNc1ccc(cc1)[C+](c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	0.911	0.654	0.985	0.474	0.855	0.979	0.972	0.546	0.782	0.98	0.963
Compound_700	CC(CCCCCCOP(=O)(O)O)C	0.98	0.06	0.225	0.352	0.113	0.047	0.956	0.021	0.138	0.309	0.329
Compound_701	CCN=C1C=CC(=C(c2ccc(c(c2)C)NCC)c2ccc(c(c2)C)NCC)C=C1C	0.874	0.68	0.932	0.608	0.688	0.957	0.806	0.263	0.676	0.979	0.894
Compound_702	CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC	0.943	0.384	0.669	0.555	0.743	0.981	0.998	0.928	1.008	0.996	0.76
Compound_703	CCC(C1(C)COC(OC1)C1CCC(=CC1C)C)C	0.926	0.572	0.6	0.609	0.236	0.364	0.768	0.957	0.614	0.995	0.902
Compound_704	C1=CC2C(C=C1)/C/1=N/C3=NC(=Nc4[n-]c(N=C5N=C(N=C2N1)c1ccccc51)c1c4cccc1)c1c3cccc1	0.525	0.716	0.989	0.633	0.675	0.662	0.384	0.846	0.965	0.873	0.929
Compound_705	CCCCCCCCSSc1nnc(s1)SSCCCCCCCC	0.816	0.506	0.236	0.58	0.639	0.721	0.999	0.839	0.477	0.971	0.665
Compound_706	CC(Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(C)C)C	0.456	0.718	0.961	0.596	0.411	0.119	0.544	0.902	0.191	0.906	0.996
Compound_707	Nc1ccc2c3c1cccc3c(=O)[nH]c2=O	0.467	0.739	0.879	0.384	0.196	0.57	0.94	0.81	0.586	0.164	0.726
Compound_708	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_709	CCCCOCCOCCOCCOCCOCCO	0.694	0.095	0.063	0.588	0.143	0.295	0.46	0.551	0.344	0.887	0.568
Compound_710	CC(CC(CCC(CC(C)C)(O)C)(O)C)C	0.911	0.093	0.304	0.513	0.11	0.03	0.904	0.191	0.27	0.565	0.481
Compound_711	OCN1C(O)C(N(C1=O)CO)O	0.034	0.242	0.017	0.451	0.056	0.042	0.001	0.024	0.258	0.058	0.381
Compound_712	OCC1(C)CC1CC1CC2C(C1(C)C)(C2)C	0.948	0.378	0.056	0.396	0.664	0.344	0.353	0.152	0.374	0.306	0.409
Compound_713	C=CC(=O)OCCOC(=O)C=C	0.991	0.131	0.57	0.749	0.877	0.898	1.0	0.999	0.977	0.992	0.936
Compound_714	CCCCCCCCCCCCc1c(cccc1S(=O)(=O)[O-])Oc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)O	0.599	0.612	0.342	0.345	0.774	0.679	0.543	0.933	0.441	0.911	0.242
Compound_715	Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-]	0.884	0.585	0.938	0.465	0.267	0.56	0.972	0.994	0.448	0.978	0.106
Compound_716	CCCCCCCCCCCCCN	0.321	0.023	0.057	0.403	0.031	0.069	0.003	0.033	0.773	0.955	0.223
Compound_717	CCCCCCCCCCCCCCCC=CC1=NC(CO1)(CO)CO	0.852	0.394	0.198	0.66	0.349	0.739	0.828	0.8	0.595	0.009	0.56
Compound_718	O=C1C=CC(=O)N1c1cccc(c1)N1C(=O)C=CC1=O	0.649	0.452	0.846	0.624	0.205	0.651	0.68	0.332	0.808	0.932	0.697
Compound_719	CCCOC(=O)[C@@H](OC(CC)(C)C)C	0.751	0.029	0.054	0.632	0.046	0.027	0.84	0.682	0.408	0.421	0.516
Compound_720	OCC(C[N+](C)(C)C)O	0.046	0.182	0.006	0.377	0.037	0.017	0.004	0.044	0.011	0.002	0.07
Compound_721	CCCC1C(=CC(=CN1c1ccccc1)CC)CC	0.461	0.564	0.669	0.469	0.264	0.898	0.235	0.99	0.511	0.311	0.458
Compound_722	Cc1c(cccc1NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl)NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl	0.738	0.711	0.895	0.544	0.678	0.683	0.982	0.806	0.482	0.771	0.715
Compound_723	CCCCCCCCCCCCSSc1n[nH]c(=S)s1	0.707	0.357	0.099	0.508	0.463	0.473	0.763	0.28	0.613	0.993	0.653
Compound_724	CCCCCCCCC=CCCCCCCC=C1OC(=O)C1CCCCCCC=CCCCCCCCC	0.931	0.291	0.478	0.657	0.642	0.13	0.99	0.985	0.498	1.0	0.716
Compound_725	CCN(c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)(c1ccc(cc1)N(CC)CC)O)CC	0.565	0.641	0.157	0.497	0.842	0.981	0.421	0.115	0.603	0.35	0.8
Compound_726	O=C1C=Cc2c(C1=NNc1ccc(cc1)S(=O)(=O)[O-])cccc2	0.661	0.477	0.951	0.583	0.589	0.654	0.82	0.985	0.436	0.384	0.175
Compound_727	CCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.473	0.777	0.502	0.683	0.69	0.608	0.968	0.971	0.946	0.883	0.744
Compound_728	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_729	CCCCCCCCCC1=CC(=NNc2ccc(cc2C)c2ccc(c(c2)C)NN=C2C=C(CCCCCCCCC)C=CC2=O)C(=O)C=C1	0.837	0.709	0.931	0.791	0.89	0.933	0.99	0.972	0.539	0.986	0.846
Compound_730	CCCCCCCOC(=O)CCCCCCCCC=C	0.923	0.009	0.46	0.78	0.465	0.088	0.999	0.995	0.162	1.0	0.94
Compound_731	CCCCOP(=S)(OCCCC)[S-]	0.81	0.05	0.382	0.623	0.137	0.037	0.999	0.686	0.709	0.997	0.89
Compound_732	CCOC(=O)C1CCC(CC1)C(=O)OCC	0.757	0.059	0.356	0.615	0.08	0.025	0.966	0.481	0.302	0.992	0.678
Compound_733	CCP(=O)(OCC)OCC	0.878	0.101	0.487	0.517	0.319	0.257	0.971	0.226	0.461	0.997	0.681
Compound_734	CC(CCCCCC(=O)[O-])C	0.946	0.016	0.452	0.323	0.058	0.002	0.98	0.341	0.009	0.985	0.829
Compound_735	Cc1cc(ccc1N/N=C/1\C(=O)C=Cc2c1cccc2)N=Nc1ccccc1C	0.771	0.76	0.993	0.71	0.78	0.822	0.93	0.96	0.541	0.965	0.834
Compound_736	[O-]C(=O)CNCC(=O)[O-]	0.043	0.043	0.043	0.266	0.036	-0.0	0.001	0.244	0.093	0.18	0.713
Compound_737	O=C1C(=O)C2(C(C1CC2)(C)C)C	0.962	0.535	0.053	0.481	0.14	0.154	0.044	0.035	0.284	0.319	0.463
Compound_738	CN(CCN1CCN(CC1)C)C	0.14	0.317	0.006	0.129	0.014	0.01	0.002	0.647	0.551	0.011	0.016
Compound_739	OCC(CC(=C)C1CC=C(C1(C)C)C)C	0.929	0.389	0.088	0.614	0.539	0.081	0.429	0.836	0.331	0.544	0.949
Compound_740	OCC(OC(CO)C)C	0.625	0.145	0.082	0.454	0.074	0.087	0.877	0.446	0.283	0.434	0.672
Compound_741	O=C1CCc2c(O1)cccc2	0.264	0.505	0.695	0.591	0.259	0.061	0.846	0.745	0.352	0.906	0.361
Compound_742	CC(COC(=O)C)O	0.609	0.024	0.038	0.589	0.109	0.061	0.87	0.07	0.534	0.075	0.259
Compound_743	CCCCc1oc2c(c1C(=O)c1ccc(cc1)O)ccc(c2)N(=O)=O	0.192	0.644	0.373	0.509	0.835	0.689	0.998	0.866	0.745	0.944	0.931
Compound_744	CN(CCOC(=O)C)C	0.064	0.094	0.004	0.157	0.031	0.004	0.011	0.063	0.422	0.001	0.203
Compound_745	O[C@@H]1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(/C=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\C)C)C)C)C	0.962	0.815	0.477	0.773	0.906	0.938	0.513	0.985	0.731	0.997	0.918
Compound_746	C=CC(=O)OCCOCCOCCOC(=O)C=C	0.979	0.135	0.472	0.741	0.905	0.894	0.999	0.998	0.976	0.999	0.948
Compound_747	CC(O[P+](=O)OC(C)C)C	0.927	0.163	0.402	0.518	0.044	0.023	0.997	0.828	0.869	0.997	0.775
Compound_748	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4c1c(c3)cccc1	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.957	1.0	0.952
Compound_749	c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.925	1.0	0.952
Compound_750	c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.925	1.0	0.952
Compound_751	[O-]C(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.548	0.185	0.188	0.408	0.474	0.868	0.103	0.493	0.737	0.489	0.223
Compound_752	CCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_753	CCCCc1ccc2c(c1)cc(cc2S(=O)(=O)O)CCCC	0.573	0.489	0.62	0.358	0.536	0.598	0.86	0.721	0.511	0.879	0.182
Compound_754	CCCCCCOCCOCCOCCO	0.777	0.135	0.069	0.622	0.125	0.43	0.463	0.871	0.443	0.905	0.566
Compound_755	CCC(CO)CO	0.631	0.089	0.059	0.504	0.024	0.013	0.605	0.031	0.267	0.288	0.455
Compound_756	Cc1ccc(cc1)OC[C@@H]1OC1	0.171	0.218	0.761	0.728	0.565	0.514	0.338	0.975	0.762	0.994	0.622
Compound_757	C=Cc1ccccc1CC	0.881	0.27	0.885	0.61	0.051	0.012	0.984	0.924	0.858	0.997	0.529
Compound_758	COP(=S)(SC)OC	0.822	0.089	0.706	0.596	0.329	0.114	0.978	0.909	0.754	0.998	0.853
Compound_759	COCN1C(O)C(N(C1=O)COC)O	0.049	0.287	0.012	0.32	0.041	0.031	0.002	0.213	0.377	0.259	0.314
Compound_760	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(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_761	CCCCCCCC(=O)Oc1c(I)cc(cc1I)C#N	0.95	0.356	0.611	0.727	0.901	0.321	0.959	0.975	0.335	0.99	0.869
Compound_762	OCCOCC#C	0.579	0.2	0.086	0.447	0.117	0.331	0.866	0.215	0.298	0.663	0.625
Compound_763	CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC	0.127	0.065	0.043	0.293	0.025	0.171	0.131	0.099	0.35	0.153	0.235
Compound_764	CCCCCCC(CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.157	0.073	0.007	0.301	0.02	0.182	0.005	0.173	0.404	0.02	0.059
Compound_765	CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_766	CC(=C1CCC(CC1)(C)O)C	0.862	0.224	0.212	0.495	0.09	0.029	0.337	0.508	0.499	0.94	0.855
Compound_767	CN(c1ccccc1C)C	0.844	0.37	0.469	0.519	0.098	0.093	0.939	0.305	0.75	0.882	0.418
Compound_768	O=Cc1cccc(c1Cl)Cl	0.886	0.088	0.663	0.624	0.229	0.262	1.0	0.982	0.765	0.999	0.791
Compound_769	CCC(COC(=O)CCN1CC1C)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C	0.11	0.487	0.047	0.167	0.895	0.761	0.229	0.036	0.169	0.892	0.901
Compound_770	CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-]	0.673	0.415	0.363	0.65	0.765	0.636	0.287	0.871	0.756	0.98	0.709
Compound_771	COS(=O)(=O)C	0.785	0.067	0.402	0.52	0.091	0.098	0.982	0.625	0.37	0.963	0.205
Compound_772	CC(CCCCCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C)C	0.936	0.009	0.303	0.294	0.032	0.051	0.997	0.592	0.173	0.949	0.903
Compound_773	CCCCCCCCCCOC(=O)c1ccc(c(c1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCCCC	0.939	0.12	0.879	0.627	0.165	0.284	0.977	0.251	0.782	0.993	0.832
Compound_774	CC(=O)Nc1cccc(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.407	0.541	0.899	0.592	0.669	0.631	0.61	0.958	0.377	0.138	0.339
Compound_775	CCN(c1ccc(cc1)/C=C(/C(=O)OCC[N+](C)(C)C)\C#N)Cc1ccccc1	0.505	0.583	0.066	0.652	0.94	0.465	0.718	0.929	0.414	0.023	0.5
Compound_776	CC(=O)CNc1ccc(c(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.363	0.455	0.829	0.477	0.695	0.627	0.547	0.401	0.375	0.011	0.399
Compound_777	CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)OC)ccc(c1)N(CC)CC)CC	0.103	0.818	0.981	0.618	0.725	0.609	0.976	0.936	0.817	0.508	0.866
Compound_778	CCCCCCCCCCOCCCN	0.356	0.127	0.029	0.421	0.026	0.051	0.011	0.025	0.511	0.95	0.263
Compound_779	CCCCCCCCOP(=S)(OCCCCCCCC)SCCC(=O)NCOCNC(=O)CCSP(=S)(OCCCCCCCC)OCCCCCCCC	0.331	0.151	0.12	0.457	0.514	0.543	0.188	0.222	0.573	0.48	0.454
Compound_780	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_781	CC1C=CCCCCCCCCCCC(=O)C1	0.989	0.165	0.286	0.589	0.249	0.02	0.975	0.785	0.457	1.0	0.767
Compound_782	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC	0.966	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_783	CCCCNP(=S)(N)N	0.139	0.104	0.02	0.264	0.087	0.065	0.002	0.019	0.715	0.545	0.346
Compound_784	OCCN1CCNCC1	0.008	0.087	0.012	0.133	0.004	0.001	-0.0	0.542	0.057	0.056	0.065
Compound_785	CCc1cc(Cc2cc(CC)c(c(c2Cl)CC)N)c(c(c1N)CC)Cl	0.67	0.495	0.845	0.412	0.902	0.882	0.989	0.338	0.78	0.99	0.659
Compound_786	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_787	CCOC(=O)[C@H]1[C@H]2C=C[C@@H]([C@@H]1C(C)C)C2	0.922	0.315	0.432	0.721	0.728	0.059	0.747	0.98	0.141	0.987	0.755
Compound_788	CC(=C)COc1ccc(cc1)S(=O)(=O)O	0.646	0.508	0.828	0.451	0.345	0.449	0.667	0.466	0.233	0.825	0.234
Compound_789	COCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2	0.522	0.717	0.798	0.579	0.072	0.322	0.985	0.846	0.655	0.02	0.71
Compound_790	CCCCCCC(CCCCCCCCCCC(=O)NCc1cccc(c1)CNC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.165	0.268	0.037	0.406	0.003	0.409	0.014	0.204	0.232	0.014	0.037
Compound_791	O(COCCOc1ccccc1)CCOc1ccccc1	0.229	0.554	0.833	0.68	0.711	0.851	0.994	0.706	0.856	0.98	0.771
Compound_792	SCCOCCOCCS	0.685	0.084	0.086	0.469	0.178	0.153	0.94	0.138	0.886	0.958	0.787
Compound_793	CC=CC=CC=CC=CC=CC=CC=C	0.95	0.124	0.755	0.633	0.328	0.015	0.986	0.994	0.934	1.0	0.832
Compound_794	c1ccc2c(c1)oc(n2)c1ccc(cc1)/C=C/c1ccc(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_795	CCCCCCCCCCCC[N+](CCCNC(=O)c1ccc(cc1)N(C)C)(C)C	0.601	0.372	0.135	0.363	0.032	0.848	0.214	0.056	0.828	0.041	0.137
Compound_796	O=N(=O)c1cc(ccc1C)S(=O)(=O)C	0.863	0.29	0.674	0.587	0.212	0.321	0.992	0.142	0.409	0.893	0.591
Compound_797	CCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCC)[O-]	0.967	0.073	0.382	0.641	0.205	0.123	0.999	0.918	0.813	0.996	0.792
Compound_798	O=Nc1c([O-])ccc2c1ccc(c2)S(=O)(=O)[O-]	0.903	0.563	0.995	0.501	0.753	0.657	0.982	0.997	0.511	0.865	0.474
Compound_799	OCCOCCOC(=O)c1ccccc1	0.336	0.146	0.538	0.518	0.07	0.25	0.698	0.011	0.412	0.63	0.207
Compound_800	CC[N+](CCOC(=O)C=C)(CC)C	0.18	0.312	0.104	0.766	0.646	0.103	0.097	0.985	0.182	0.039	0.309
Compound_801	CCOCCOC(=O)C(=C)C	0.977	0.157	0.343	0.672	0.5	0.093	0.998	0.601	0.648	0.998	0.936
Compound_802	C=CC(=O)OCC1CCCO1	0.983	0.214	0.083	0.774	0.895	0.706	1.0	0.998	0.921	0.999	0.836
Compound_803	CN(CP(=O)(O)O)CC(=O)O	0.081	0.065	0.0	0.05	0.183	0.014	0.002	0.07	0.134	0.002	0.224
Compound_804	CC(CCOP(=O)(O)O)C	0.841	0.033	0.227	0.337	0.044	0.026	0.989	0.007	0.062	0.051	0.249
Compound_805	Cn1sc2c(c1=O)cccc2	0.278	0.769	0.733	0.457	0.018	0.302	0.652	0.36	0.723	0.98	0.658
Compound_806	CCN(c1ccc(c(c1)C)N)CCNS(=O)(=O)C	0.077	0.352	0.302	0.344	0.03	0.402	0.022	0.644	0.401	0.025	0.365
Compound_807	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_808	[O-]C(=O)CCCCCC(C)(C)C	0.949	0.07	0.103	0.314	0.089	0.008	0.973	0.662	0.116	0.98	0.803
Compound_809	CC(=C)C(=O)OCCCO	0.942	0.255	0.042	0.677	0.229	0.046	0.782	0.804	0.511	0.899	0.693
Compound_810	COc1cccc2c1CCC(=O)C2	0.282	0.532	0.878	0.619	0.156	0.114	0.83	0.358	0.439	0.969	0.871
Compound_811	NCCCNC1CCCCC1	0.095	0.16	0.011	0.214	0.025	0.13	0.0	0.011	0.294	0.023	0.064
Compound_812	O=C=NCCCCCCN(C(=O)NCCCCCCN=C=O)C(=O)NCCCCCCN=C=O	0.251	0.11	0.299	0.263	0.122	0.721	0.126	0.169	0.524	0.065	0.436
Compound_813	CCN(c1ccc(cc1)[C+](c1ccc(cc1)N(Cc1cccc(c1)S(=O)(=O)[O-])CC)c1ccc(cc1)N(Cc1cccc(c1)S(=O)(=O)[O-])CC)CC	0.461	0.519	0.442	0.443	0.897	0.922	0.934	0.975	0.382	0.961	0.334
Compound_814	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_815	CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C	0.992	0.31	0.029	0.497	0.75	0.168	0.822	0.873	0.781	1.0	0.78
Compound_816	CCCCl	0.927	0.076	0.287	0.634	0.197	0.058	0.998	0.982	0.937	0.998	0.896
Compound_817	CC(C(O)C)Cc1ccccc1	0.557	0.103	0.085	0.521	0.054	0.078	0.587	0.251	0.361	0.194	0.049
Compound_818	CCCCOC(=O)N	0.295	0.093	0.035	0.378	0.036	0.04	0.35	0.01	0.551	0.016	0.189
Compound_819	C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CO	0.952	0.125	0.132	0.695	0.885	0.976	0.993	0.983	0.839	0.954	0.924
Compound_820	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_821	Clc1ccc(c(c1)N/N=C\1/C(=O)c2c(C=C1S(=O)(=O)[O-])cc(cc2NS(=O)(=O)c1ccc(cc1)C)S(=O)(=O)[O-])Oc1ccccc1	0.594	0.547	0.337	0.372	0.687	0.674	0.842	0.983	0.409	0.882	0.366
Compound_822	CCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCOCC(=O)[O-]	0.068	0.118	0.003	0.193	0.028	0.083	0.128	0.307	0.339	0.356	0.262
Compound_823	CCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCC	0.465	0.652	0.945	0.604	0.416	0.102	0.297	0.221	0.538	0.256	0.979
Compound_824	OCCOCCOCC#C	0.583	0.18	0.086	0.451	0.117	0.331	0.866	0.168	0.342	0.671	0.585
Compound_825	O=C(N1CC1)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)N1CC1	0.823	0.504	0.769	0.606	0.952	0.736	0.99	0.313	0.768	0.182	0.554
Compound_826	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_827	C[N+]12CN3CN(C2)CN(C1)C3	0.471	0.494	0.032	0.319	0.212	0.079	0.002	0.541	0.757	0.368	0.203
Compound_828	CC(OCCOC(=O)c1ccccc1O)C	0.461	0.307	0.568	0.645	0.368	0.084	0.245	0.201	0.388	0.72	0.207
Compound_829	COS(=O)(=O)c1ccc(cc1)C	0.731	0.295	0.78	0.575	0.617	0.092	0.996	0.26	0.378	0.863	0.085
Compound_830	OCCN(CCOCCN(C)C)C	0.04	0.082	0.011	0.136	0.041	0.017	0.004	0.031	0.141	0.004	0.168
Compound_831	CC(CO[C@H]1[C@H](O)[C@@H](COCC(O)C)O[C@H]([C@@H]1OCC(O)C)O)O	0.678	0.296	0.033	0.516	0.103	0.397	0.151	0.188	0.323	0.222	0.008
Compound_832	OCCN(c1ccccc1)CC	0.517	0.332	0.211	0.394	0.093	0.089	0.108	0.385	0.103	0.137	0.202
Compound_833	CCCC(CCC1C(C)CCC(C1(C)C)C)O	0.928	0.238	0.024	0.55	0.258	0.206	0.497	0.58	0.496	0.995	0.618
Compound_834	CN1CCN(C)CCN(CC1)C	0.14	0.292	0.036	0.105	0.025	0.307	0.004	0.727	0.626	0.139	0.448
Compound_835	O=C(C(=C)C)OCCOc1ccccc1	0.607	0.32	0.663	0.748	0.316	0.057	0.631	0.897	0.904	0.983	0.292
Compound_836	C=CC(=O)OCCCCOC(=O)C=C	0.99	0.163	0.22	0.764	0.764	0.828	1.0	0.999	0.954	0.999	0.96
Compound_837	CCOP(=S)(OCC)OCC	0.887	0.121	0.892	0.529	0.044	0.012	0.977	0.221	0.439	0.999	0.597
Compound_838	CCOC(=O)C(Cc1ccc(c(c1)n1nc(n(c1=O)C(F)F)C)F)(Cl)Cl	0.902	0.585	0.859	0.717	0.5	0.618	0.957	0.783	0.469	0.166	0.557
Compound_839	CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC	0.867	0.247	0.067	0.689	0.339	0.113	0.997	0.377	0.22	0.999	0.861
Compound_840	Oc1ccc(cc1)C1(OS(=O)(=O)c2c1cccc2)c1ccc(cc1)O	0.053	0.587	0.4	0.693	0.939	0.847	0.078	0.147	0.437	0.934	0.341
Compound_841	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_842	COc1ccc(cc1)CC1CC1	0.655	0.272	0.429	0.67	0.288	0.404	0.942	0.173	0.654	0.997	0.484
Compound_843	CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1	0.291	0.133	0.086	0.396	0.013	0.341	0.444	0.101	0.383	0.885	0.116
Compound_844	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_845	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_846	O=C(c1ccccc1)Oc1ccc(cc1)Cc1ccccc1	0.778	0.749	0.865	0.678	0.98	0.985	0.983	0.205	0.614	0.723	0.525
Compound_847	CCC[NH+]1CCC(=O)CC1	0.066	0.21	0.304	0.411	0.004	0.007	0.0	0.185	0.346	0.429	0.129
Compound_848	OC(=O)CCOC(=O)C=C	0.941	0.147	0.101	0.318	0.771	0.547	0.834	0.983	0.687	0.299	0.657
Compound_849	CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC	0.959	0.035	0.522	0.644	0.545	0.076	0.999	0.986	0.289	1.0	0.917
Compound_850	CCCCCCCCCC/C=C/C1CC(=O)OC1=O	0.952	0.189	0.483	0.658	0.589	0.062	1.0	0.996	0.872	0.999	0.798
Compound_851	CC(COC(=O)c1ccc2c3c1cccc3c1c3c2cccc3c(cc1)C(=O)OCC(C)C)C	0.562	0.561	0.896	0.599	0.949	0.942	0.981	0.028	0.43	0.856	0.858
Compound_852	NCCC(CC(CN)C)(C)C	0.123	0.094	0.038	0.297	0.025	0.034	0.001	0.008	0.397	0.017	0.061
Compound_853	CC([NH2+]Cc1ccccc1)(C)C	0.09	0.153	0.516	0.482	0.001	0.176	0.004	0.607	0.584	0.083	0.129
Compound_854	COc1ccc2c(c1)[nH]c(=S)[nH]2	0.641	0.517	0.795	0.494	0.114	0.609	0.053	0.018	0.969	0.961	0.755
Compound_855	CC(COC(=O)c1ccccc1)O	0.258	0.117	0.366	0.614	0.059	0.117	0.464	0.019	0.314	0.058	0.033
Compound_856	ClCCCC(=O)c1ccc(cc1)F	0.966	0.108	0.556	0.691	0.3	0.684	0.994	0.985	0.14	0.972	0.693
Compound_857	CCCCCCCCCCCCCCCCCCN(C(C(=O)[O-])CC(=O)[O-])C(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.495	0.183	0.197	0.414	0.2	0.276	0.888	0.701	0.405	0.853	0.363
Compound_858	C=CC(=O)OCCOCCOC(=O)C=C	0.984	0.135	0.472	0.741	0.877	0.898	1.0	0.998	0.976	0.999	0.948
Compound_859	OCC(Oc1ccccc1)C	0.295	0.069	0.396	0.564	0.241	0.037	0.625	0.107	0.4	0.136	0.149
Compound_860	CC=CC(=C)C1C(=CCCC1(C)C)C	0.921	0.212	0.674	0.614	0.364	0.103	0.682	0.988	0.954	0.992	0.705
Compound_861	OS(=O)(=O)CCN1CCOCC1	0.036	0.311	0.012	0.067	0.06	0.157	0.032	0.043	0.346	0.537	0.419
Compound_862	O=C1CC(=O)NC(=S)N1	0.155	0.218	0.019	0.22	0.015	0.147	0.017	0.09	0.46	0.446	0.409
Compound_863	CCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_864	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.911	0.876	0.032	0.305	0.947	0.754	0.227	0.96	0.148	0.997	0.036
Compound_865	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)N(CC)CC)CC	0.15	0.75	0.947	0.626	0.757	0.515	0.998	0.779	0.502	0.89	0.86
Compound_866	CN(CCCNC(=O)NCCCN(C)C)C	0.036	0.061	0.001	0.106	0.027	0.022	0.0	0.085	0.606	0.01	0.091
Compound_867	[O-]C(=O)CNCCNCC(=O)[O-]	0.014	0.07	0.013	0.277	0.036	-0.001	0.0	0.033	0.032	0.166	0.438
Compound_868	COc1ccccc1C	0.653	0.086	0.808	0.628	0.031	0.058	0.8	0.045	0.677	0.97	0.512
Compound_869	CCN(c1ccc(cc1)C)CC	0.547	0.634	0.881	0.561	0.166	0.624	0.126	0.749	0.823	0.911	0.236
Compound_870	CCCCNC(=O)OCCOC(=O)C=C	0.357	0.176	0.338	0.537	0.533	0.691	0.036	0.991	0.564	0.689	0.443
Compound_871	CC(C1CCC(CC1)C(O)C)C	0.92	0.087	0.021	0.461	0.112	0.031	0.769	0.165	0.353	0.645	0.185
Compound_872	O=C1c2ccccc2C(=O)c2c1c(Nc1ccccc1)cc(c2N)S(=O)(=O)[O-]	0.527	0.427	0.936	0.533	0.673	0.62	0.953	0.992	0.383	0.112	0.382
Compound_873	Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)C(=O)C(=NNc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N/N=C\1/C(=O)c3cc(N=Nc4ccc(cc4N)N)ccc3C=C1S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-]	0.567	0.497	0.996	0.628	0.768	0.677	0.916	0.987	0.419	0.132	0.192
Compound_874	CCCCCCCCCCCCCCCCc1c(cccc1S(=O)(=O)[O-])Oc1ccccc1S(=O)(=O)[O-]	0.589	0.675	0.448	0.47	0.486	0.633	0.688	0.99	0.45	0.931	0.25
Compound_875	O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C	0.968	0.147	0.12	0.715	0.394	0.09	0.985	0.963	0.883	1.0	0.973
Compound_876	COc1ccccc1NN=C1C(=O)c2c(NC(=O)C)cc(cc2C=C1S(=O)(=O)O)S(=O)(=O)O	0.618	0.6	0.853	0.525	0.638	0.654	0.827	0.125	0.411	0.626	0.256
Compound_877	O=C(c1ccccc1)OCC(C(C(C)C)OC(=O)c1ccccc1)(C)C	0.607	0.668	0.803	0.664	0.321	0.692	0.962	0.037	0.473	0.038	0.813
Compound_878	O=c1c2cccc3c2c(c2n1c1cccc4c1c(n2)ccc4)ccc3	0.725	0.686	0.938	0.478	0.679	0.859	0.827	0.279	0.604	0.699	0.208
Compound_879	C=CC1(C)C=CC(CC1C(=C)C)C(C)C	0.888	0.299	0.399	0.541	0.399	0.048	0.747	0.993	0.842	0.997	0.783
Compound_880	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_881	C=COCCOCCOCCOC=C	0.679	0.161	0.211	0.462	0.373	0.345	0.956	0.551	0.776	0.998	0.887
Compound_882	Cc1cc(Cc2cc(C)cc(c2O)C2(C)CCCCC2)c(c(c1)C1(C)CCCCC1)O	0.755	0.653	0.166	0.558	0.952	0.995	0.165	0.946	0.738	0.986	0.868
Compound_883	CCCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NCCCC	0.774	0.451	0.847	0.573	0.732	0.992	0.788	0.317	0.59	0.027	0.111
Compound_884	OCC(CO)(CO)C	0.725	0.043	0.113	0.48	0.035	0.034	0.534	0.582	0.367	0.279	0.328
Compound_885	O=Cc1ccc(cc1)B(O)O	0.846	0.145	0.107	0.502	0.723	0.683	0.998	0.054	0.868	0.563	0.757
Compound_886	Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC	0.623	0.6	0.236	0.572	0.942	0.76	0.989	0.908	0.368	0.687	0.905
Compound_887	O=Cc1ccccc1S(=O)(=O)[O-]	0.894	0.422	0.228	0.4	0.201	0.487	0.931	0.738	0.366	0.948	0.051
Compound_888	O=c1oc(nc2c1cccc2)c1ccccc1NS(=O)(=O)c1ccc2c(c1)cccc2	0.416	0.413	0.759	0.61	0.771	0.743	0.63	0.933	0.337	0.141	0.183
Compound_889	CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCO)CCO	0.347	0.131	0.138	0.275	0.268	0.189	0.411	0.643	0.608	0.544	0.201
Compound_890	O=Nc1ccc(cc1)N=O	0.965	0.454	0.99	0.629	0.101	0.538	0.999	0.964	0.956	0.998	0.935
Compound_891	NCCCNCCNCCCN	0.015	0.083	0.017	0.311	0.031	0.017	0.0	0.021	0.118	0.091	0.203
Compound_892	CC(CC(=NCCNCCN=C(CC(C)C)C)C)C	0.06	0.189	0.192	0.275	0.037	0.043	0.008	0.026	0.272	0.082	0.271
Compound_893	ClC(=O)OCCOCCOC(=O)Cl	0.893	0.073	0.337	0.591	0.206	0.171	0.798	0.97	0.867	0.998	0.963
Compound_894	COC(CC(=O)C)(C)C	0.788	0.014	0.034	0.46	0.034	0.015	0.938	0.439	0.549	0.201	0.8
Compound_895	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1S(=O)(=O)O)Cl)N)c1cccc(c1)S(=O)(=O)O	0.497	0.497	0.169	0.456	0.704	0.653	0.152	0.844	0.434	0.489	0.272
Compound_896	OS(=O)(=O)c1cc(Nc2nc(Cl)nc(n2)Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)c2c(c1)cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O	0.735	0.513	0.997	0.494	0.754	0.673	0.664	0.802	0.407	0.418	0.598
Compound_897	NC(=O)C(C#N)Br	0.242	0.142	0.043	0.35	0.586	0.17	0.643	0.824	0.561	0.863	0.77
Compound_898	CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N(C)C)Cc1ccc(cc1)C	0.3	0.652	0.094	0.286	0.472	0.898	0.891	0.964	0.45	0.333	0.513
Compound_899	OC(=O)c1cccc(c1)N(=O)=O	0.778	0.161	0.772	0.433	0.115	0.065	0.94	0.954	0.436	0.86	0.731
Compound_900	NCCCN1CCOCC1	0.021	0.2	0.007	0.106	0.008	0.006	0.0	0.11	0.176	0.054	0.043
Compound_901	C=CCNCC=C	0.126	0.064	0.07	0.522	0.076	0.003	0.003	0.625	0.133	0.879	0.727
Compound_902	CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCC	0.944	0.401	0.49	0.685	0.507	0.048	0.998	0.923	0.918	0.998	0.565
Compound_903	OCC1(C)CN(NC1=O)c1ccccc1	0.225	0.494	0.846	0.389	0.154	0.153	0.008	0.247	0.387	0.0	0.244
Compound_904	C=CC12CCN(CC1)C(C2)C(c1ccnc2c1cc(OC)cc2)O	0.122	0.748	0.935	0.321	0.529	0.552	0.012	0.087	0.41	0.021	0.199
Compound_905	CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1	0.963	0.694	0.911	0.678	0.876	0.984	0.995	0.921	0.971	0.982	0.938
Compound_906	FCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.955	0.064	0.745	0.668	0.254	0.043	0.974	0.199	0.223	0.999	0.932
Compound_907	Clc1ccc(c2c1C(=O)/C(=C\1/Sc3c(C1=O)c(Cl)ccc3Cl)/S2)Cl	0.505	0.652	0.886	0.711	0.746	0.683	0.997	0.677	0.626	0.928	0.967
Compound_908	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_909	NCCCCCCNCCCCCCN	0.078	0.04	0.019	0.441	0.023	0.045	0.001	0.023	0.334	0.102	0.232
Compound_910	[NH3+]C[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C	0.259	0.358	0.128	0.473	0.209	0.844	0.498	0.174	0.95	0.083	0.168
Compound_911	CC(c1ccc(cc1)Nc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.937	0.572	0.757	0.504	0.802	0.98	0.985	0.624	0.801	0.894	0.831
Compound_912	C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)C=C)C=C1N=C(C=c3[n-]c(=C2)c(C)c3CCC(=O)O)C(=C1C)CCC(=O)O	0.616	0.571	0.973	0.311	0.599	0.647	0.893	0.594	0.212	0.201	0.947
Compound_913	CC(=O)c1cc2c(o1)cccc2	0.289	0.467	0.995	0.516	-0.0	0.088	0.773	0.93	0.576	0.96	0.75
Compound_914	O=C=Nc1ccc(cc1)Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(cc1)Cc1ccc(cc1)N=C=O	0.753	0.445	0.855	0.552	0.982	0.905	0.972	0.516	0.836	0.62	0.601
Compound_915	CC(c1ccc(cc1)OP(=O)(O)O)(c1ccc(cc1)OP(=O)(O)O)C	0.784	0.564	0.539	0.401	0.818	0.432	0.985	0.007	0.608	0.334	0.603
Compound_916	Oc1ccc(c2c1C(=O)c1c(C2=O)c(ccc1O)N(=O)=O)Nc1ccccc1	0.704	0.817	0.973	0.781	0.977	0.896	0.993	0.999	0.498	0.993	0.986
Compound_917	CCC(CC(CC(CCc1ccc(cc1)O)C)C)C	0.934	0.202	0.332	0.543	0.713	0.904	0.812	0.79	0.736	0.982	0.733
Compound_918	O(CC1OC1)CC1OC1	0.851	0.235	0.308	0.585	0.864	0.127	0.798	0.801	0.887	0.988	0.959
Compound_919	C=CC(=O)OCc1ccccc1	0.777	0.274	0.885	0.653	0.132	0.232	0.998	0.996	0.903	0.944	0.591
Compound_920	CCCCCCOC(=O)C=C	0.983	0.009	0.234	0.807	0.754	0.544	0.999	0.999	0.915	1.0	0.94
Compound_921	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_922	CC(CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(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_923	CC1CN(NC1=O)c1ccccc1	0.333	0.376	0.951	0.441	0.079	0.095	0.009	0.071	0.4	0.015	0.148
Compound_924	c1ccc2c(c1)occ2	0.593	0.516	0.91	0.577	0.013	0.371	0.888	0.128	0.648	0.998	0.863
Compound_925	CCCCOP(=O)(Oc1ccccc1)Oc1ccccc1	0.875	0.623	0.714	0.68	0.646	0.058	0.986	0.728	0.644	0.878	0.648
Compound_926	CCCCCCCCCCCCCCCCCCS	0.921	0.06	0.113	0.556	0.255	0.546	1.0	0.494	0.997	0.997	0.664
Compound_927	CC(=O)c1cc(OCc2ccccc2)cc(c1)OCc1ccccc1	0.55	0.698	0.827	0.69	0.973	0.878	0.992	0.698	0.812	0.828	0.752
Compound_928	CCCCC(CNc1ccc(c2c1C(=O)c1ccccc1C2=O)NCC(CCCC)CC)CC	0.505	0.654	0.559	0.54	0.419	0.202	0.296	0.429	0.677	0.618	0.838
Compound_929	Brc1cc(O)c2c(c1N)C(=O)c1c(C2=O)c(N)ccc1O	0.746	0.657	0.982	0.742	0.692	0.643	0.991	0.989	0.511	0.903	0.974
Compound_930	CCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O	0.952	0.189	0.483	0.658	0.57	0.14	1.0	0.996	0.872	0.999	0.798
Compound_931	CC1=CC(=C(c2ccc(c(c2)C)N)c2ccc(c(c2)C)N)C=CC1=[NH2+]	0.837	0.689	0.991	0.655	0.782	0.953	0.996	0.913	0.945	0.989	0.985
Compound_932	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_933	O=C(S(=O)(=O)[O-])NCCCCCCNC(=O)S(=O)(=O)[O-]	0.098	0.082	0.098	0.225	0.119	0.292	0.006	0.943	0.43	0.105	0.354
Compound_934	C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(c1=O)CCOC(=O)C=C	0.947	0.33	0.493	0.681	0.711	0.672	0.98	0.998	0.609	0.361	0.658
Compound_935	CCN(c1ccc(c(c1)NC(=O)C)N=Nc1c(C#N)cc(cc1C#N)N(=O)=O)CC	0.843	0.694	0.932	0.549	0.538	0.537	0.359	0.827	0.793	0.846	0.74
Compound_936	CCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCC(=O)OCCCC	0.924	0.05	0.037	0.567	0.066	0.124	0.999	0.732	0.359	0.988	0.356
Compound_937	[O-]C(=O)[C@@H](CCCC)C	0.85	0.016	0.121	0.343	0.016	0.001	0.963	0.928	0.099	0.816	0.878
Compound_938	CC(C)(C)C	0.881	0.041	0.428	0.507	0.039	0.011	0.978	0.792	0.943	0.999	0.697
Compound_939	COc1ccc(c(c1)N(=O)=O)N/N=C/1\C(=O)C=Cc2c1cccc2	0.754	0.794	0.981	0.728	0.828	0.653	0.991	0.931	0.667	0.985	0.967
Compound_940	OCCc1ccc(cc1)N(C)C	0.3	0.41	0.978	0.459	0.098	0.57	0.871	0.578	0.553	0.009	0.29
Compound_941	Cc1ccc(c(c1)C)S(=O)(=O)c1ccc(cc1C)C	0.478	0.627	0.754	0.596	0.523	0.327	0.862	0.213	0.654	0.996	0.271
Compound_942	N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CCOC(=O)C	0.909	0.583	0.756	0.657	0.868	0.641	0.928	0.983	0.54	0.982	0.804
Compound_943	CCCCCCCCN(CCC(=O)O)CCC(=O)O	0.4	0.111	0.01	0.071	0.062	0.088	0.004	0.046	0.355	0.086	0.284
Compound_944	CNc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C	0.587	0.882	1.0	0.523	0.46	0.682	0.146	0.996	0.866	0.945	0.933
Compound_945	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_946	OCCCCCCCCCCCCO	0.928	0.166	0.115	0.517	0.13	0.168	0.92	0.319	0.086	0.333	0.612
Compound_947	CCCCCCCCCc1ccc(c(c1)CN(CC(=O)[O-])C)O	0.574	0.404	0.069	0.252	0.248	0.364	0.026	0.621	0.529	0.018	0.239
Compound_948	OC(=O)c1[nH]cnc1C(=O)O	0.186	0.249	0.115	0.33	0.216	0.635	0.006	0.428	0.415	0.034	0.792
Compound_949	CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1	0.975	0.168	0.619	0.519	0.128	0.887	0.972	0.636	0.772	0.974	0.873
Compound_950	N#CC1=C(C)C(=NNc2cccc(c2)OS(=O)(=O)c2ccccc2)C(=O)N(C1=O)C	0.65	0.504	0.532	0.703	0.797	0.629	0.283	0.941	0.411	0.039	0.424
Compound_951	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_952	CCN(C=O)CC	0.227	0.118	0.214	0.483	0.009	0.139	0.011	0.246	0.632	0.847	0.413
Compound_953	OCCN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)CCO	0.789	0.475	0.344	0.363	0.484	0.371	0.083	0.177	0.647	0.246	0.413
Compound_954	COCCOCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2	0.49	0.759	0.728	0.545	0.086	0.357	0.981	0.702	0.655	0.187	0.597
Compound_955	Cc1ccc(c(c1)N(=O)=O)N/N=C/1\C(=O)C(=Cc2c1cccc2)C(=O)Nc1ccccc1C	0.654	0.693	0.987	0.595	0.864	0.633	0.98	0.98	0.43	0.99	0.906
Compound_956	CCCCC(C(=O)OC(C)C)CC	0.824	0.033	0.157	0.528	0.052	0.012	0.959	0.391	0.665	0.999	0.809
Compound_957	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(C)C	0.98	0.139	0.132	0.748	0.403	0.274	0.961	0.846	0.21	0.983	0.705
Compound_958	OC1C[C@@H](C)[C@@]2(C(=C1)C)CCC(=C(C)C)C2	0.915	0.656	0.437	0.571	0.521	0.233	0.386	0.962	0.45	0.975	0.916
Compound_959	CCCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccc(cc1)CCCC	0.787	0.779	0.836	0.708	0.966	0.742	0.987	0.994	0.843	0.759	0.919
Compound_960	CCCCCCCCCCCCOC(=O)Nc1ccc(c(c1)N=NC1C(=NN(C1=O)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-])C)S(=O)(=O)[O-]	0.646	0.679	0.982	0.621	0.702	0.653	0.851	0.989	0.408	0.713	0.432
Compound_961	S=c1[nH]nc(s1)SSc1n[nH]c(=S)s1	0.358	0.365	0.638	0.395	0.553	0.583	0.038	0.033	0.857	0.98	0.683
Compound_962	CCOCCOCCOC(=O)C=C	0.979	0.108	0.719	0.771	0.873	0.731	0.999	0.994	0.682	1.0	0.909
Compound_963	c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1	0.983	0.699	0.939	0.62	0.905	0.966	0.978	0.976	0.898	0.994	0.983
Compound_964	CC#C	0.91	0.234	0.428	0.456	0.057	0.062	0.991	0.806	0.81	1.0	0.715
Compound_965	C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)CC	0.991	0.12	0.142	0.651	0.896	0.913	1.0	0.996	0.95	0.999	0.945
Compound_966	CC(OCC1OC1)(C)C	0.81	0.187	0.055	0.602	0.206	0.08	0.759	0.566	0.928	0.95	0.912
Compound_967	O=N(=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)[O-]	0.926	0.421	0.999	0.588	0.714	0.736	0.816	0.997	0.456	0.234	0.409
Compound_968	CCCCCCCCSSCCCCCCCC	0.919	0.076	0.24	0.581	0.37	0.482	1.0	0.946	0.691	1.0	0.818
Compound_969	CCc1cc(CC)cc2c1sc1ccccc1c2=O	0.781	0.828	0.901	0.602	0.544	0.932	0.966	0.977	0.772	0.993	0.916
Compound_970	[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)[O-]	0.905	0.341	0.746	0.537	0.227	0.597	0.98	0.854	0.398	0.989	0.063
Compound_971	Cc1ccc(cc1)c1[nH]c(=O)c2c1c(=O)[nH]c2c1ccc(cc1)C	0.343	0.806	0.564	0.361	0.11	0.726	0.894	0.076	0.54	0.566	0.914
Compound_972	S=c1nn[nH]n1c1ccccc1	0.353	0.366	0.455	0.435	0.128	0.662	0.063	0.01	0.847	0.795	0.492
Compound_973	O=Cc1ccc(cc1Cl)Cl	0.951	0.088	0.342	0.713	0.454	0.48	0.998	0.72	0.682	0.999	0.791
Compound_974	O=C1CCN(N1)c1ccccc1	0.34	0.393	0.884	0.489	0.105	0.098	0.036	0.221	0.398	0.003	0.153
Compound_975	NCCOCCOCCN	0.13	0.062	0.037	0.397	0.033	0.011	0.001	0.005	0.35	0.048	0.29
Compound_976	CCN1CCOCC1	0.087	0.267	0.043	0.085	0.007	0.007	0.006	0.083	0.235	0.656	0.135
Compound_977	OCC[NH+](Cc1ccccc1)C	0.013	0.153	0.231	0.402	0.002	0.05	0.001	0.236	0.203	0.009	0.052
Compound_978	CCNc1cccc(c1)C	0.413	0.219	0.936	0.478	0.033	0.051	0.037	0.146	0.691	0.916	0.342
Compound_979	CCCCOP(OCCCC)OCCCC	0.791	0.032	0.163	0.569	0.094	0.018	0.999	0.558	0.723	0.991	0.64
Compound_980	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_981	CC(CC(C)C)C	0.909	0.066	0.75	0.467	0.038	0.006	0.95	0.563	0.718	0.998	0.689
Compound_982	CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC	0.871	0.003	0.251	0.736	0.096	0.106	0.998	0.649	0.574	0.998	0.912
Compound_983	CN(CCN(C)C)C	0.197	0.19	0.006	0.117	0.014	0.009	0.004	0.875	0.415	0.044	0.296
Compound_984	CCCC=NO	0.674	0.135	0.445	0.54	0.045	0.056	0.075	0.681	0.453	0.904	0.754
Compound_985	CCCCCCCCCCCCCCCC(=O)OCCCC	0.903	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.553	0.998	0.912
Compound_986	S=C(N1CCCCC1)SSSSC(=S)N1CCCCC1	0.168	0.285	0.116	0.549	0.189	0.92	0.048	0.853	0.95	0.993	0.475
Compound_987	C=CC(=O)Cc1c(cc(cc1C(CC)(C)C)C(CC)(C)C)C(c1cc(cc(c1O)C(CC)(C)C)C(CC)(C)C)C	0.498	0.677	0.175	0.529	0.878	1.0	0.512	0.983	0.86	0.998	0.701
Compound_988	CCN(c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC	0.725	0.809	0.859	0.6	0.976	0.684	0.951	0.927	0.616	0.851	0.869
Compound_989	CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.14	0.149	0.993	0.27	0.756	0.995	0.825
Compound_990	CCCCN1C(=O)c2c(C1=O)cccc2	0.361	0.637	0.463	0.509	0.016	0.207	0.064	0.108	0.697	0.126	0.244
Compound_991	OC(=O)c1cccc(c1)S(=O)O	0.34	0.24	0.484	0.42	0.222	0.439	0.304	0.321	0.496	0.48	0.232
Compound_992	CCCCCC#CC=CC=C	0.926	0.128	0.476	0.671	0.369	0.797	0.993	0.991	0.855	1.0	0.745
Compound_993	OCCOP(=O)(O)O	0.655	0.081	0.01	0.303	0.071	0.077	0.087	0.005	0.177	0.31	0.142
Compound_994	CC(=O)CC(S)(C)C	0.768	0.063	0.095	0.475	0.043	0.038	0.929	0.132	0.665	0.98	0.652
Compound_995	CCCCCCCCCc1cc(CN(CCO)CCO)c(c(c1)CN(CCO)CCO)O	0.39	0.306	0.044	0.191	0.042	0.813	0.027	0.409	0.88	0.082	0.096
Compound_996	CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.967	0.078	0.461	0.741	0.562	0.147	0.998	0.969	0.416	1.0	0.943
Compound_997	OC(=O)C(CC(=O)O)(CC(=O)O)O	0.141	0.059	0.026	0.103	0.064	0.061	0.051	0.347	0.511	0.004	0.093
Compound_998	CCOC(=O)c1ccccc1c1c2ccc(cc2[o+]c2c1ccc(c2)N(CC)CC)N(CC)CC	0.077	0.808	0.997	0.688	0.741	0.623	0.976	0.977	0.475	0.637	0.906
Compound_999	CC(C1=CC(=O)C(=CC1=O)C(C)(C)C)(C)C	0.931	0.344	0.738	0.692	0.278	0.114	0.449	0.981	0.908	0.999	0.934
Compound_1000	CNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC	0.722	0.743	0.983	0.647	0.421	0.109	0.901	0.947	0.695	0.638	0.995