Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCCCCCCCCC(=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_2	CN(CCCNC(=O)C(=C)C)C	0.078	0.159	0.0	0.092	0.016	0.003	0.001	0.122	0.543	0.04	0.398
Compound_3	O=C(NC1CCCCC1)NC1CCCCC1	0.093	0.294	0.191	0.316	0.087	0.45	0.004	0.115	0.472	0.886	0.099
Compound_4	COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1	0.494	0.778	0.952	0.577	0.45	0.697	0.96	0.96	0.475	0.895	0.284
Compound_5	C#CCOC[C@@H]1CO[C@@](O1)(Cn1cncc1)c1ccc(cc1Cl)Cl	0.173	0.699	0.882	0.831	0.768	0.8	0.028	0.831	0.406	0.933	0.582
Compound_6	COC(=O)Nc1[nH]c2c(n1)cc(cc2)S(=O)c1ccccc1	0.216	0.526	0.892	0.457	0.558	0.67	0.063	0.41	0.575	0.897	0.825
Compound_7	CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2	0.477	0.65	0.052	0.135	0.093	0.553	0.087	0.017	0.348	0.057	0.479
Compound_8	O=C(C1=C(C)OCCC1)Nc1ccccc1	0.573	0.568	0.845	0.644	0.119	0.81	0.949	0.968	0.533	0.735	0.424
Compound_9	CNC(=O)Oc1ccccc1OC(C)C	0.266	0.418	0.487	0.323	0.164	0.056	0.03	0.975	0.531	0.035	0.047
Compound_10	CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C	0.907	0.713	0.886	0.529	0.924	0.99	0.994	0.365	0.744	0.973	0.863
Compound_11	CNC(=O)Oc1cccc2c1OC(C2)(C)C	0.67	0.433	0.072	0.395	0.208	0.043	0.049	0.97	0.511	0.052	0.128
Compound_12	COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1	0.246	0.654	0.768	0.465	0.609	0.675	0.053	0.523	0.575	0.72	0.935
Compound_13	COc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N	0.053	0.202	0.022	0.126	0.093	0.35	0.002	0.004	0.058	0.001	0.342
Compound_14	CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C	0.801	0.087	0.697	0.572	0.103	0.048	0.988	0.006	0.491	0.722	0.363
Compound_15	CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC	0.639	0.115	0.887	0.644	0.1	0.288	0.984	0.035	0.807	0.655	0.57
Compound_16	O=N(=O)c1ccccc1O	0.924	0.093	0.823	0.586	0.722	0.556	0.993	0.995	0.633	0.939	0.934
Compound_17	Nc1ccc(c(c1)O)C(=O)O	0.184	0.435	0.217	0.381	0.472	0.041	0.445	0.023	0.24	0.016	0.494
Compound_18	CC(OOC1(CCCCC1)OOC(C)(C)C)(C)C	0.916	0.26	0.099	0.479	0.101	0.066	0.985	0.705	0.461	0.909	0.351
Compound_19	Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.735	0.516	0.452	0.686	0.468	0.661	0.576	0.434	0.582	0.756	0.348
Compound_20	FC(C(F)(F)F)C(F)(F)F	0.905	0.065	0.529	0.606	0.295	0.06	0.973	0.887	0.703	1.0	0.9
Compound_21	FC(C(F)(F)F)OC(C(C(F)(F)F)(F)F)(F)F	0.925	0.078	0.88	0.666	0.222	0.105	0.987	0.735	0.237	0.999	0.975
Compound_22	CCN(c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC)CC	0.861	0.749	0.8	0.543	0.89	0.996	0.908	0.772	0.731	0.988	0.78
Compound_23	N#CC(=NN=C(N)N)c1cccc(c1Cl)Cl	0.379	0.416	0.295	0.357	0.567	0.291	0.94	0.675	0.691	0.068	0.376
Compound_24	CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(C)c(c2=O)CCN1CCC(CC1)c1noc2c1ccc(c2)F	0.605	0.611	0.309	0.192	0.596	0.708	0.176	0.421	0.315	0.382	0.416
Compound_25	C=CCOc1nc(OCC=C)nc(n1)OCC=C	0.875	0.212	0.813	0.681	0.24	0.205	0.511	0.976	0.434	0.206	0.574
Compound_26	O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cccc2	0.671	0.682	0.973	0.498	0.741	0.385	0.993	0.516	0.873	0.114	0.997
Compound_27	CC(COc1ccc(cc1)C(c1ccc(cc1)OCC(O)C)(C)C)O	0.43	0.579	0.071	0.55	0.887	0.941	0.873	0.186	0.181	0.582	0.587
Compound_28	ClCC(OP(=O)(OCC(Cl)C)OCC(Cl)C)C	0.878	0.392	0.643	0.699	0.188	0.103	0.998	0.998	0.659	0.975	0.696
Compound_29	CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C	0.942	0.035	0.138	0.518	0.093	0.098	0.997	0.723	0.628	0.833	0.678
Compound_30	O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.926	0.861	0.013	0.347	0.88	0.134	0.971	0.613	0.622	0.987	0.788
Compound_31	CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C	0.342	0.724	0.58	0.64	0.285	0.901	0.563	0.142	0.714	0.928	0.79
Compound_32	N#CCCOCCCCCCCC(C)C	0.974	0.126	0.484	0.57	0.203	0.101	0.946	0.859	0.339	0.719	0.903
Compound_33	CC(c1ccc(cc1)CC(O)(C)C)C(=O)O	0.023	0.122	0.009	0.237	0.081	0.032	0.063	0.058	0.172	0.035	0.042
Compound_34	O=C(Nc1c(C)cccc1C)CN1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F	0.053	0.543	0.099	0.073	0.577	0.408	0.782	0.04	0.511	0.177	0.018
Compound_35	Nc1cccc2c1cccc2N	0.978	0.81	0.99	0.719	0.203	0.299	0.988	0.995	0.887	0.997	0.993
Compound_36	Nc1cccc2c1c(N)ccc2	0.95	0.833	0.99	0.706	0.221	0.568	0.928	0.995	0.887	0.996	0.98
Compound_37	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.924	0.773	0.042	0.658	0.052	0.843	0.992	0.382	0.95	0.075	0.238
Compound_38	CSC1NC(NC(C)C)NC(N1CCNc1nc(SC)nc(n1)NC(C)(C)C)NC(C)C	0.36	0.405	0.158	0.224	0.085	0.396	0.023	0.666	0.36	0.109	0.234
Compound_39	O=C(c1ccccc1)c1ccccc1	0.957	0.662	0.665	0.53	0.13	0.756	0.948	0.255	0.876	0.993	0.959
Compound_40	COCCOCCOCCOC	0.774	0.042	0.368	0.513	0.11	0.107	0.927	0.299	0.746	0.974	0.785
Compound_41	OS(=O)(=O)c1nc2c(s1)cccc2	0.902	0.487	0.958	0.522	0.591	0.641	0.974	0.836	0.836	0.218	0.289
Compound_42	CCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_43	Cc1ccc(cc1)S(=O)(=O)N	0.155	0.276	0.005	0.117	0.142	0.073	0.407	0.002	0.359	0.117	0.11
Compound_44	CCCCOC(=O)c1ccc(cc1)O	0.656	0.185	0.893	0.718	0.872	0.915	0.829	0.089	0.95	0.016	0.191
Compound_45	Nc1ccc(cc1C)Cc1ccc(c(c1)C)N	0.703	0.639	0.984	0.518	0.414	0.902	0.986	0.959	0.913	0.9	0.908
Compound_46	Cc1cc(C)cc(c1S(=O)(=O)O)C	0.468	0.342	0.883	0.267	0.8	0.372	0.98	0.061	0.452	0.942	0.034
Compound_47	Cn1cnc2c1c(=O)n(c(=O)[nH]2)C	0.072	0.187	0.049	0.266	0.09	0.119	0.001	0.018	0.649	0.003	0.069
Compound_48	CC(n1c(=O)cc(n1C)C)C	0.166	0.378	0.487	0.395	0.093	0.172	0.023	0.264	0.422	0.162	0.281
Compound_49	C1CCC(NC1)c1cccnc1	0.096	0.306	0.03	0.408	0.012	0.525	0.0	0.025	0.629	0.012	0.054
Compound_50	Cc1c(N)cccc1Cl	0.799	0.173	0.944	0.585	0.466	0.173	0.999	0.98	0.881	0.985	0.249
Compound_51	OC(=O)C1=C(CCCC1)C(=O)O	0.701	0.377	0.12	0.217	0.235	0.127	0.923	0.24	0.355	0.52	0.312
Compound_52	Oc1ccc2c(c1)oc(=O)cc2C	0.053	0.73	0.912	0.477	0.802	0.774	0.454	0.732	0.747	0.938	0.676
Compound_53	CCN(CCOC(=O)c1cccnc1)CC	0.023	0.377	0.058	0.127	0.019	0.013	0.006	0.003	0.059	0.022	0.09
Compound_54	OC(COc1cccc(c1)C)CNC(C)C	0.001	0.297	0.014	0.201	0.044	0.007	0.01	0.002	0.273	0.005	0.012
Compound_55	CCC1(CCC(=O)NC1=O)c1ccc(cc1)N	0.053	0.563	0.052	0.306	0.108	0.549	0.049	0.025	0.654	0.003	0.286
Compound_56	CN1CCN2C(C1)c1ccccc1Cc1c2cccc1	0.199	0.738	0.082	0.051	0.493	0.444	0.009	0.012	0.501	0.013	0.115
Compound_57	CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1	0.19	0.609	0.2	0.376	0.05	0.207	0.01	0.772	0.13	0.284	0.603
Compound_58	OC(COc1cccc2c1SCCC2)CNC(C)(C)C	0.104	0.636	0.011	0.093	0.469	0.409	0.04	0.003	0.347	0.141	0.212
Compound_59	CCC(c1ccc(cc1)CC(CN1C[C@H](C)O[C@@H](C1)C)C)(C)C	0.067	0.415	0.02	0.142	0.032	0.351	0.004	0.038	0.489	0.868	0.127
Compound_60	Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1cccc(c1)C(F)(F)F	0.06	0.37	0.439	0.226	0.597	0.604	0.588	0.108	0.112	0.018	0.087
Compound_61	O=C=Nc1ccccc1	0.862	0.496	0.899	0.622	0.125	0.236	0.997	0.939	0.888	0.935	0.801
Compound_62	Nc1ccccc1	0.883	0.248	0.968	0.652	0.061	0.137	0.99	0.974	0.959	0.989	0.457
Compound_63	CCCCC(COC=C)CC	0.894	0.032	0.079	0.509	0.115	0.061	0.989	0.492	0.625	1.0	0.966
Compound_64	Cc1cccc(c1)O	0.824	0.12	0.884	0.659	0.178	0.017	0.473	0.918	0.524	0.682	0.087
Compound_65	CC(=O)c1ccccc1	0.935	0.144	0.762	0.543	0.027	0.174	0.907	0.476	0.92	0.989	0.384
Compound_66	CCCCC(C(=O)O)CC	0.563	0.01	0.072	0.2	0.063	0.005	0.838	0.226	0.038	0.854	0.358
Compound_67	COc1ccc(cc1)O	0.922	0.119	0.8	0.714	0.347	0.111	0.974	0.02	0.965	0.131	0.216
Compound_68	OC1CC2CC1C(=C)C2(C)C	0.942	0.569	0.039	0.498	0.609	0.116	0.147	0.908	0.341	0.856	0.838
Compound_69	O=C1C=C(C)C(=O)C(C1)(C)C	0.963	0.394	0.755	0.698	0.19	0.162	0.408	0.937	0.443	0.997	0.879
Compound_70	CCc1cccc(c1)O	0.782	0.116	0.715	0.662	0.375	0.042	0.948	0.923	0.254	0.618	0.108
Compound_71	O=C1CC(C)C(=O)C(C1)(C)C	0.952	0.219	0.274	0.499	0.08	0.056	0.634	0.739	0.353	0.967	0.633
Compound_72	Clc1cccc(c1O)Cl	0.93	0.149	0.595	0.558	0.5	0.098	0.978	0.906	0.602	0.994	0.918
Compound_73	Cc1ccc(cc1)C(=O)C	0.85	0.133	0.797	0.538	0.028	0.266	0.886	0.429	0.406	0.971	0.389
Compound_74	CCC1=C(C)C(=O)NC1=O	0.257	0.472	0.155	0.321	0.012	0.023	0.286	0.184	0.667	0.733	0.761
Compound_75	S=C=NC1CCCCC1	0.836	0.286	0.386	0.528	0.036	0.876	0.47	0.93	0.79	0.997	0.899
Compound_76	CC(=C)c1ccc(cc1)O	0.971	0.454	0.574	0.594	0.45	0.741	0.506	0.974	0.875	0.851	0.574
Compound_77	COCc1cc(O)ccc1OC	0.442	0.225	0.862	0.633	0.305	0.028	0.087	0.175	0.626	0.26	0.256
Compound_78	CCc1ccc(c(c1)O)CC	0.703	0.154	0.8	0.634	0.26	0.172	0.646	0.979	0.494	0.903	0.146
Compound_79	CCc1ccc(cc1)C(=O)O	0.391	0.1	0.1	0.328	0.131	0.21	0.966	0.418	0.161	0.073	0.074
Compound_80	COc1cccc(c1O)OC	0.898	0.132	0.711	0.624	0.715	0.021	0.952	0.023	0.918	0.675	0.298
Compound_81	CCCCCCCCC=CCCCC	0.999	0.053	0.331	0.625	0.408	0.032	0.996	0.952	1.013	1.0	0.845
Compound_82	OCc1ccccc1C(=O)O	0.574	0.156	0.092	0.337	0.098	0.091	0.985	0.119	0.558	0.047	0.264
Compound_83	CC(CC(C#CC(CC(C)C)(O)C)(O)C)C	0.625	0.137	0.585	0.546	0.117	0.898	0.838	0.278	0.423	0.392	0.569
Compound_84	CC(=O)c1ccc(cc1)C(=O)C	0.938	0.151	0.736	0.536	0.043	0.371	0.891	0.416	0.557	0.753	0.668
Compound_85	CC1=CC(C)(C)Nc2c1cccc2	0.244	0.542	0.954	0.433	0.169	0.478	0.796	0.943	0.538	0.868	0.808
Compound_86	CCCCCCCCCCCCl	1.001	0.043	0.309	0.704	0.469	0.269	0.998	0.997	0.178	1.0	0.907
Compound_87	CC(=O)c1ccc(cc1)C(O)(C)C	0.56	0.095	0.397	0.565	0.101	0.376	0.641	0.098	0.442	0.214	0.454
Compound_88	O=C1NC(=O)c2c1cccc2	0.777	0.394	0.525	0.356	0.032	0.231	0.748	0.06	0.796	0.557	0.647
Compound_89	Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.873	0.051	0.772	0.642	0.5	0.954	0.132	0.659	0.856	0.988	0.5
Compound_90	O=C=Nc1c(C)cccc1C	0.647	0.426	0.893	0.638	0.092	0.106	0.981	0.511	0.859	0.571	0.484
Compound_91	CCCCCCCO/C=C/CC	0.875	0.028	0.124	0.594	0.243	0.052	0.997	0.899	0.886	1.0	0.9
Compound_92	CCCCCCCCCCCCCCCCBr	0.989	0.038	0.309	0.704	0.318	0.098	1.0	0.997	0.94	1.0	0.923
Compound_93	CCN(C(=O)c1ccc(cc1)C)CC	0.147	0.394	0.333	0.525	0.001	0.472	0.015	0.073	0.32	0.508	0.063
Compound_94	CCCCCC(C1CCC(=O)O1)O	0.65	0.386	0.016	0.609	0.23	0.164	0.844	0.229	0.245	0.821	0.045
Compound_95	CCCOc1ccc(cc1)C=O	0.577	0.162	0.47	0.676	0.237	0.835	0.572	0.786	0.69	0.481	0.509
Compound_96	CCCCCCCCCCCCCCBr	0.989	0.038	0.309	0.704	0.279	0.045	0.996	0.997	0.94	1.0	0.923
Compound_97	N#CCC(c1ccccc1)c1ccccc1	0.842	0.586	0.283	0.528	0.606	0.244	0.958	0.849	0.654	0.933	0.963
Compound_98	N#CC=C(c1ccccc1)c1ccccc1	0.975	0.706	0.747	0.679	0.54	0.274	0.987	0.936	0.948	0.99	0.989
Compound_99	COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.558	0.253	0.259	0.615	0.448	0.897	0.119	0.979	0.613	0.213	0.215
Compound_100	CCCCCCCCCCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.142	0.121	0.999	0.882	0.603	1.0	0.851
Compound_101	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.287	0.851	0.845	0.709	0.265	0.898	0.854	0.459	0.95	0.733	0.764
Compound_102	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.628	0.348	0.681	0.52	0.927	0.098	1.0	0.197	0.957	0.999	0.783
Compound_103	c1cc2cccc3c2c(c1)C=C3	0.949	0.744	0.969	0.64	0.277	0.089	0.982	0.972	0.981	0.998	0.944
Compound_104	c1ccc2c(c1)Cc1c2cccc1	0.925	0.725	0.929	0.803	0.308	0.416	0.936	0.98	0.901	0.999	0.935
Compound_105	c1ccc2c(c1)cc1c(c2)cccc1	0.988	0.649	0.974	0.679	0.566	0.646	0.999	0.968	0.966	1.0	0.952
Compound_106	c1ccc2c(c1)c1cccc3c1c2ccc3	0.988	0.725	0.98	0.825	0.838	0.944	0.992	0.992	0.98	0.999	0.935
Compound_107	c1cc2ccc3c4c2c(c1)ccc4ccc3	0.988	0.649	0.977	0.594	0.843	0.737	0.998	0.924	0.972	1.0	0.952
Compound_108	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.953	0.088	0.848	0.601	0.369	0.692	0.999	0.911	0.863	0.999	0.279
Compound_109	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.96	0.088	0.905	0.651	0.253	0.725	0.999	0.991	0.882	0.999	0.279
Compound_110	BrC(=O)c1ccccc1	0.953	0.15	0.789	0.694	0.118	0.22	0.992	0.977	0.919	0.998	0.844
Compound_111	ClC(S(=O)(=O)C)Cl	0.823	0.145	0.347	0.62	0.356	0.406	0.976	0.999	0.476	0.997	0.556
Compound_112	CC(=O)OC(COC(=O)C)COC(=O)C	0.827	0.007	0.282	0.672	0.131	0.057	0.948	0.098	0.857	0.527	0.906
Compound_113	CCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_114	Oc1cccc(c1)Nc1ccccc1	0.952	0.743	0.914	0.684	0.905	0.187	0.993	0.882	0.438	0.953	0.985
Compound_115	Cc1cccc(c1)C	0.812	0.144	0.909	0.567	0.031	0.047	0.979	0.828	0.873	0.994	0.14
Compound_116	CCCC(CC(CC(=C)C)C)C	0.992	0.099	0.311	0.508	0.208	0.006	0.973	0.953	0.82	1.0	0.969
Compound_117	CCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.107	0.025	0.981	0.882	0.527	1.0	0.851
Compound_118	CCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_119	CC1=CCCC(C1)C(=C)C	0.954	0.23	0.479	0.631	0.163	0.024	0.839	0.972	0.909	0.997	0.791
Compound_120	CCC(C(C(C)C)C)C	0.949	0.074	0.232	0.496	0.071	0.011	0.919	0.489	0.793	0.999	0.78
Compound_121	CCC(CCC(CC(C(C)C)C)C)C	0.993	0.078	0.273	0.411	0.108	0.017	0.906	0.563	0.799	0.999	0.817
Compound_122	C=CCC(C=O)C	0.802	0.094	0.231	0.625	0.101	0.05	0.992	0.982	0.236	1.0	0.876
Compound_123	CCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_124	CCC(C(C)C)CCCC(C)C	0.99	0.074	0.621	0.487	0.108	0.017	0.906	0.729	0.293	1.0	0.851
Compound_125	CCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_126	c1ccc2c(c1)c1ccc3c(c1cc2)cccc3	0.988	0.649	0.974	0.622	0.843	0.737	0.998	0.968	0.969	1.0	0.952
Compound_127	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.988	0.649	0.974	0.697	0.843	0.737	0.998	0.968	0.931	1.0	0.952
Compound_128	ClCc1ccccc1	0.908	0.157	0.828	0.676	0.115	0.197	0.999	0.968	0.991	0.996	0.63
Compound_129	OCCCCC(=O)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.401	0.264	0.207	0.553	0.765	0.705	0.333	0.199	0.222	0.219	0.041
Compound_130	CC(=O)c1ccc(c(c1)C(=O)N)O	0.689	0.383	0.234	0.386	0.012	0.569	0.61	0.026	0.702	0.005	0.091
Compound_131	CCCCCCCCC=CCCCCCCCCCCCC(=O)N	0.567	0.013	0.032	0.338	0.078	0.098	0.996	0.491	0.651	0.946	0.166
Compound_132	CSC1=NCCS1	0.264	0.397	0.468	0.528	0.252	0.273	0.551	0.29	0.53	0.316	0.685
Compound_133	c1ccc(cc1)Oc1ccccc1	0.946	0.752	0.922	0.59	0.5	0.511	0.996	0.771	0.969	0.993	0.921
Compound_134	CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O	0.424	0.038	0.095	0.101	0.458	0.011	0.99	0.079	0.263	0.975	0.239
Compound_135	CCCCC[C@H]1CCC(=O)O1	0.859	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.295	0.998	0.655
Compound_136	CCCCC(CNCC(CCCC)CC)CC	0.139	0.154	0.035	0.369	0.02	0.207	0.401	0.072	0.537	0.986	0.163
Compound_137	CCNS(=O)(=O)c1ccccc1C	0.112	0.463	0.117	0.205	0.035	0.299	0.005	0.064	0.164	0.093	0.124
Compound_138	O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C	0.969	0.156	0.162	0.672	0.582	0.114	0.991	0.723	0.908	0.999	0.951
Compound_139	CCCCCCCCCCCCCl	1.001	0.043	0.309	0.704	0.469	0.269	0.998	0.997	0.178	1.0	0.907
Compound_140	COc1cc(ccc1OC)C(=O)C	0.679	0.165	0.825	0.568	0.189	0.526	0.951	0.097	0.529	0.618	0.526
Compound_141	Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O	0.592	0.536	0.536	0.572	0.782	0.993	0.069	0.935	0.95	0.98	0.774
Compound_142	Oc1ccc(cc1)Nc1ccccc1	0.91	0.737	0.914	0.682	0.905	0.692	0.971	0.882	0.981	0.953	0.986
Compound_143	CCc1ccc(cc1)O	0.854	0.117	0.586	0.637	0.45	0.741	0.506	0.799	0.806	0.677	0.159
Compound_144	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.57	0.051	0.536	0.582	0.279	0.927	0.041	0.9	0.94	0.988	0.5
Compound_145	C#CC1(O)C(=CC(=O)CC1(C)C)C	0.901	0.446	0.679	0.543	0.336	0.583	0.636	0.943	0.571	0.925	0.415
Compound_146	c1ccc2c(c1)oc1c2cccc1	0.659	0.68	0.976	0.623	0.082	0.702	0.984	0.33	0.648	0.999	0.934
Compound_147	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.257	0.246	1.0	0.989	1.0	1.0	0.819
Compound_148	CCCCCCCCC=CCCCCCCC	0.999	0.053	0.331	0.625	0.5	0.167	1.0	0.952	1.013	1.0	0.845
Compound_149	O=C1CCC(=O)c2c(N1)cccc2	0.389	0.407	0.839	0.479	0.34	0.117	0.495	0.701	0.611	0.054	0.117
Compound_150	O=C1CC(c2c1cccc2)c1ccccc1	0.688	0.817	0.67	0.414	0.232	0.817	0.334	0.342	0.478	0.921	0.985
Compound_151	O=S(=O)(c1ccccc1)Nc1ccccc1	0.192	0.239	0.328	0.372	0.258	0.811	0.359	0.387	0.427	0.659	0.215
Compound_152	CCCCC1CCCCC(=O)C1	0.979	0.135	0.23	0.526	0.174	0.019	0.963	0.683	0.393	1.0	0.739
Compound_153	Cc1cc2ccccc2nc1C	0.791	0.476	0.966	0.568	0.5	0.412	0.528	0.897	0.916	0.768	0.914
Compound_154	N#CC=Cc1ccccc1	0.966	0.282	0.684	0.74	0.163	0.057	0.998	0.91	0.977	0.981	0.853
Compound_155	Cc1ccc2c(c1C)c1ccccc1[nH]2	0.733	0.554	0.988	0.521	0.755	0.694	0.997	0.893	0.92	0.882	0.936
Compound_156	CC(=O)N1c2ccccc2C=Cc2c1cccc2	0.518	0.67	0.924	0.568	0.571	0.609	0.993	0.132	0.889	0.996	0.483
Compound_157	COC(=O)C(=C)C1CC2=C(C)C(=O)OC2CC1(C)C=C	0.889	0.713	0.545	0.528	0.831	0.388	0.645	0.998	0.725	0.991	0.631
Compound_158	CC(c1cccc(c1)C(O)(C)C)(O)C	0.32	0.117	0.429	0.601	0.166	0.083	0.503	0.253	0.534	0.519	0.629
Compound_159	CC(N(S(=O)(=O)C)C(C)C)C	0.179	0.179	0.286	0.49	0.034	0.16	0.208	0.658	0.348	0.987	0.688
Compound_160	CCc1cccc(c1)C(=O)C	0.78	0.121	0.678	0.571	0.02	0.192	0.703	0.783	0.908	0.977	0.494
Compound_161	O=C1COC(=S)N1	0.089	0.314	0.308	0.281	0.018	0.24	0.269	0.183	0.536	0.532	0.414
Compound_162	O=C(C(=C)C)OCCOCCOC(=O)C(=C)C	0.975	0.156	0.162	0.672	0.582	0.114	0.991	0.723	0.908	0.999	0.951
Compound_163	CCOc1ccc(cc1)C(=O)OCC	0.469	0.129	0.993	0.727	0.546	0.469	0.822	0.335	0.566	0.659	0.184
Compound_164	CN1CCCC1c1ccccn1	0.072	0.538	0.026	0.135	0.041	0.281	0.014	0.121	0.499	0.001	0.077
Compound_165	CC(c1ccc2c(c1)ccc(c2)C(C)C)C	0.851	0.493	0.809	0.64	0.21	0.203	0.938	0.934	0.753	0.999	0.911
Compound_166	C=C1C=Cc2c1cccc2	0.808	0.583	0.906	0.674	0.159	0.02	0.995	0.97	0.961	0.998	0.935
Compound_167	COc1cc(cc(c1O)OC)C(=O)C	0.837	0.197	0.716	0.599	0.744	0.187	0.937	0.052	0.792	0.215	0.462
Compound_168	CC(=O)c1csc2c1cccc2	0.782	0.754	0.936	0.561	0.302	0.405	0.958	0.647	0.845	0.988	0.204
Compound_169	c1ncc2c(c1)nc[nH]2	0.331	0.609	0.433	0.359	0.21	0.79	0.002	0.046	0.606	0.558	0.668
Compound_170	CC(c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.635	0.6	0.886	0.688	0.837	0.152	0.976	0.474	0.521	0.958	0.709
Compound_171	CCNc1nc2c(s1)cccc2	0.542	0.617	0.852	0.571	0.189	0.857	0.009	0.049	0.808	0.802	0.39
Compound_172	O=P(c1ccccc1)(c1ccccc1)Cc1ccccc1	0.522	0.426	0.741	0.543	0.953	0.585	1.0	0.781	0.879	0.995	0.764
Compound_173	CS(=O)(=O)c1ccccc1	0.87	0.375	0.668	0.502	0.06	0.188	0.991	0.048	0.453	0.992	0.129
Compound_174	CCCCCC1CCCCC1=O	0.979	0.186	0.294	0.524	0.058	0.022	0.963	0.092	0.455	1.0	0.734
Compound_175	CC(=O)c1ccc(c(c1)C)Cl	0.801	0.13	0.728	0.592	0.377	0.381	0.856	0.151	0.677	0.994	0.584
Compound_176	CC(=CCCC(=O)C)CCC=C(C)C	0.8	0.028	0.633	0.542	0.079	0.003	0.459	0.823	0.605	1.0	0.957
Compound_177	O=CN1CCN(CC1)C=O	0.161	0.232	0.257	0.469	0.01	0.109	0.002	0.809	0.576	0.341	0.156
Compound_178	CSSCSC	0.705	0.104	0.407	0.496	0.549	0.364	0.956	0.764	0.766	0.997	0.774
Compound_179	Cc1ccc(c(c1)O)n1nc2c(n1)cccc2	0.343	0.851	0.77	0.539	0.354	0.836	0.911	0.844	0.614	0.733	0.764
Compound_180	COC1COC2C1OCC2OC	0.922	0.414	0.324	0.479	0.148	0.086	0.972	0.684	0.419	0.873	0.919
Compound_181	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.257	0.246	1.0	0.989	1.0	1.0	0.819
Compound_182	CC(c1cccc(c1Cl)C(C)C)C	0.617	0.128	0.709	0.643	0.357	0.162	0.806	0.729	0.675	0.997	0.126
Compound_183	O=C1CCCCCNC(=O)CCCCCN1	0.132	0.189	0.044	0.251	0.01	0.032	0.0	0.111	0.407	0.008	0.451
Compound_184	CC(c1ccc(c(c1)C)C(C)C)C	0.587	0.082	0.657	0.543	0.058	0.028	0.6	0.373	0.94	0.996	0.329
Compound_185	CCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_186	CCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_187	CC(c1ccccc1)(O)C	0.385	0.091	0.427	0.591	0.078	0.045	0.679	0.246	0.413	0.407	0.363
Compound_188	CCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_189	CCCCCCCCCCCCCCCBr	0.989	0.038	0.309	0.704	0.279	0.045	0.996	0.997	0.94	1.0	0.923
Compound_190	CCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_191	CCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_192	CCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_193	CCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_194	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_195	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_196	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.257	0.246	1.0	0.989	1.0	1.0	0.819
Compound_197	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.257	0.246	1.0	0.989	1.0	1.0	0.819
Compound_198	CCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_199	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_200	CCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_201	CC(=O)Cc1ccc(c(c1)Cl)Cl	0.601	0.079	0.907	0.652	0.18	0.172	0.987	0.909	0.569	0.993	0.587
Compound_202	CC(=O)c1cccc(c1)C(=O)C	0.921	0.151	0.764	0.551	0.001	0.042	0.702	0.482	0.927	0.753	0.668
Compound_203	Cc1cccc(c1)C(=O)N(C)C	0.424	0.304	0.678	0.544	0.001	0.225	0.175	0.141	0.716	0.276	0.079
Compound_204	CCCCCCC(OC(=O)c1ccccc1)C	0.844	0.104	0.268	0.642	0.084	0.191	0.969	0.694	0.681	0.997	0.542
Compound_205	O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C	0.971	0.344	0.827	0.741	0.341	0.176	0.766	0.995	0.896	0.999	0.934
Compound_206	O=CNC1CCCCC1	0.087	0.184	0.098	0.249	0.012	0.459	0.002	0.455	0.42	0.875	0.065
Compound_207	C=COC(=O)c1ccccc1	0.8	0.268	0.561	0.593	0.045	0.219	0.998	0.457	0.855	0.979	0.446
Compound_208	CC1=CCC(CC1=O)C(O)(C)C	0.803	0.378	0.184	0.587	0.307	0.111	0.095	0.985	0.321	0.987	0.871
Compound_209	O=C1CCCCC(=O)OCCCCO1	0.748	0.138	0.256	0.706	0.071	0.1	0.858	0.81	0.291	0.988	0.482
Compound_210	CC(=O)C1C=C2C(O1)(C)C1OC1CC2(C)C	0.95	0.561	0.079	0.587	0.62	0.467	0.703	0.964	0.536	0.947	0.394
Compound_211	O=c1n(C)c(=O)n(c(=O)n1C)C	0.334	0.238	0.072	0.374	0.112	0.06	0.005	0.022	0.766	0.03	0.154
Compound_212	COc1cc(OC)ccc1C(=O)C	0.711	0.191	0.84	0.68	0.509	0.52	0.514	0.03	0.794	0.372	0.579
Compound_213	O=C1c2ccccc2C(=O)c2c1cccc2	0.936	0.768	0.89	0.621	0.359	0.931	0.929	0.873	0.75	0.83	0.999
Compound_214	Cc1ccccc1S(=O)(=O)N	0.201	0.28	0.02	0.207	0.043	0.256	0.407	0.002	0.195	0.136	0.155
Compound_215	COc1ccccc1O	0.908	0.096	0.641	0.657	0.316	0.018	0.971	0.028	0.696	0.91	0.396
Compound_216	CCCCCCCCOC(=O)c1ccccc1C(=O)OC	0.964	0.141	0.263	0.565	0.099	0.049	0.988	0.048	0.765	0.931	0.836
Compound_217	O=C1CCC[C@]2([C@H]1CCCC2)C	0.979	0.674	0.239	0.484	0.224	0.069	0.526	0.109	0.309	0.999	0.84
Compound_218	Cn1nc2c(c1N)cccc2	0.377	0.607	0.855	0.512	0.221	0.474	0.074	0.272	0.937	0.454	0.274
Compound_219	NS(=O)(=O)c1ccccc1	0.314	0.276	0.005	0.127	0.032	0.224	0.696	0.002	0.477	0.059	0.121
Compound_220	Nc1cccc(c1)C(=O)C	0.857	0.201	0.888	0.555	0.052	0.194	0.961	0.595	0.853	0.73	0.586
Compound_221	O=C1NC(=O)C2=NC=NC2N1	0.218	0.356	0.6	0.398	0.017	0.098	-0.0	0.969	0.477	0.105	0.626
Compound_222	CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.14	0.149	0.993	0.27	0.756	0.995	0.825
Compound_223	C=Cc1ccccc1	0.97	0.287	0.612	0.583	0.051	0.076	0.998	0.976	0.917	0.997	0.419
Compound_224	Cc1ccc(c(c1)C)O	0.671	0.093	0.937	0.661	0.202	0.79	0.09	0.953	0.782	0.948	0.343
Compound_225	Clc1ccc(cc1)Cl	0.949	0.153	0.821	0.595	0.232	0.303	0.998	0.473	0.928	0.998	0.087
Compound_226	CCCCCCCCC=CCCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_227	Cc1c(C)cccc1C	0.819	0.071	0.763	0.557	0.041	0.015	0.952	0.818	0.911	0.998	0.293
Compound_228	CC(c1ccccc1C)C	0.764	0.082	0.685	0.566	0.059	0.01	0.937	0.31	0.511	0.996	0.329
Compound_229	CC1(CC)CC(=O)NC1=O	0.041	0.327	0.186	0.24	0.034	0.04	0.026	0.045	0.424	0.011	0.297
Compound_230	ClC(C(Cl)Cl)Cl	0.915	0.096	0.433	0.578	0.445	0.813	0.927	0.984	0.748	1.0	0.885
Compound_231	O=C1CCC2(O1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C	0.843	0.56	0.308	0.698	0.669	0.665	0.968	0.996	0.522	0.983	0.853
Compound_232	c1ccc2c(c1)nc1c(n2)cccc1	0.83	0.724	0.906	0.551	0.784	0.49	0.978	0.777	0.715	0.956	0.989
Compound_233	c1ccc2c(c1)cnc1c2cccc1	0.873	0.598	0.976	0.604	0.393	0.283	0.699	0.145	0.984	0.987	0.941
Compound_234	Clc1ccccn1	0.61	0.199	0.439	0.545	0.058	0.107	0.37	0.704	0.983	0.906	0.082
Compound_235	Cn1cccc1	0.555	0.227	0.4	0.47	0.057	0.118	0.138	0.409	0.933	0.792	0.309
Compound_236	CN(c1ccccc1)C	0.965	0.411	0.911	0.519	0.145	0.195	0.979	0.885	0.457	0.956	0.414
Compound_237	CCNCc1ccccc1	0.07	0.221	0.082	0.318	0.002	0.091	0.008	0.005	0.338	0.919	0.053
Compound_238	c1ccc2c(c1)cncc2	0.83	0.634	0.903	0.571	0.026	0.277	0.007	0.331	0.971	0.984	0.895
Compound_239	c1ccc2c(c1)[nH]cn2	0.27	0.619	0.93	0.425	0.174	0.787	0.009	0.144	0.349	0.769	0.911
Compound_240	N#Cc1ncccc1C	0.42	0.355	0.572	0.557	0.096	0.124	0.002	0.068	0.866	0.536	0.853
Compound_241	CCCCCCN	0.113	0.023	0.057	0.403	0.009	0.025	0.002	0.033	0.662	0.955	0.223
Compound_242	N#Cc1cccnc1Cl	0.614	0.281	0.719	0.628	0.183	0.182	0.061	0.258	0.898	0.962	0.721
Compound_243	Nc1ccnc(c1)Cl	0.304	0.267	0.84	0.57	0.148	0.123	0.09	0.441	0.817	0.878	0.02
Compound_244	n1ccncc1	0.512	0.298	0.848	0.481	0.157	0.029	0.028	0.058	0.972	0.791	0.578
Compound_245	N#Cc1cccc2c1cccc2	0.993	0.681	0.953	0.661	0.577	0.091	0.977	0.978	0.921	0.998	0.991
Compound_246	CCCCCCCCCCN	0.321	0.023	0.057	0.403	0.031	0.069	0.003	0.033	0.773	0.955	0.223
Compound_247	Nc1cccc2c1cccc2	0.952	0.838	0.99	0.719	0.23	0.318	0.993	0.995	0.869	0.999	0.96
Compound_248	Cc1ncc[nH]1	0.521	0.313	0.549	0.448	0.31	0.745	0.0	0.191	0.599	0.352	0.613
Compound_249	N#Cc1ccccc1	0.979	0.231	0.661	0.601	0.278	0.04	0.995	0.564	0.923	0.991	0.834
Compound_250	c1ccc2c(c1)[nH]nc2	0.574	0.584	0.995	0.561	0.568	0.619	0.101	0.773	0.852	0.797	0.786
Compound_251	N#Cc1cccc(c1)N	0.92	0.296	0.812	0.612	0.327	0.054	0.969	0.708	0.874	0.989	0.856
Compound_252	c1ccc2c(c1)[nH]cc2	0.694	0.557	0.971	0.517	0.231	0.666	0.018	0.814	0.971	0.979	0.867
Compound_253	c1ccc2c(c1)nccc2	0.863	0.598	0.879	0.551	0.106	0.2	0.061	0.133	0.976	0.987	0.941
Compound_254	Cc1cc2c([nH]1)cccc2	0.675	0.549	0.977	0.545	0.563	0.701	0.988	0.917	0.931	0.939	0.809
Compound_255	c1ccc(cc1)N=Nc1ccccc1	0.995	0.825	0.984	0.687	0.598	0.904	0.999	0.936	0.973	0.994	0.906
Compound_256	NCCc1ccccc1	0.121	0.157	0.101	0.429	0.007	0.168	0.009	0.012	0.356	0.034	0.034
Compound_257	c1cnc2c(c1)c1cccnc1cc2	0.865	0.702	0.889	0.537	0.138	0.714	0.852	0.091	0.968	0.978	0.983
Compound_258	c1ccc2c(n1)c1ncccc1cc2	0.782	0.724	0.863	0.513	0.148	0.898	0.953	0.515	0.967	0.956	0.989
Compound_259	Nc1ccccn1	0.29	0.307	0.445	0.477	0.016	0.126	0.008	0.031	0.937	0.584	0.025
Compound_260	c1ccc(cc1)CN(Cc1ccccc1)Cc1ccccc1	0.419	0.515	0.424	0.306	0.314	0.981	0.95	0.85	0.584	0.987	0.292
Compound_261	Nc1ccccc1Br	0.956	0.241	0.969	0.636	0.566	0.312	0.994	0.967	0.829	0.993	0.251
Compound_262	Nc1ccccc1Cl	0.881	0.218	0.969	0.636	0.123	0.098	0.998	0.967	0.938	0.992	0.399
Compound_263	Nc1ccc(cc1)F	0.946	0.249	0.938	0.663	0.108	0.101	0.99	0.883	0.936	0.977	0.171
Compound_264	Nc1ccc(cc1)Cl	0.882	0.164	0.938	0.663	0.216	0.322	0.998	0.883	0.913	0.981	0.219
Compound_265	Cc1cccc(n1)C	0.531	0.212	0.775	0.556	0.168	0.391	0.88	0.977	0.734	0.405	0.184
Compound_266	Nc1ccc(cc1)c1ccc(cc1)N	0.947	0.779	0.977	0.883	0.409	0.934	0.998	0.972	0.949	0.983	0.965
Compound_267	Nc1ccc(cc1)N	0.915	0.265	0.963	0.645	0.075	0.557	0.985	0.956	0.964	0.962	0.752
Compound_268	Nc1ccc2c(c1)cc1c(c2)cccc1	0.952	0.838	0.989	0.772	0.795	0.945	1.0	0.994	0.95	0.999	0.96
Compound_269	c1cnn[nH]1	0.6	0.319	0.649	0.44	0.417	0.452	0.003	0.042	0.972	0.413	0.596
Compound_270	c1ccc(cc1)n1ccc2c1cccc2	0.846	0.597	0.646	0.568	0.402	0.79	0.853	0.524	0.978	0.993	0.929
Compound_271	Nc1ncnc2c1nc[nH]2	0.238	0.736	0.491	0.35	0.252	0.725	0.002	0.139	0.668	0.647	0.454
Compound_272	CNc1ccccc1	0.908	0.217	0.971	0.498	0.058	0.048	0.211	0.967	0.846	0.973	0.343
Compound_273	Nc1nc2c([nH]1)cccc2	0.229	0.624	0.913	0.532	0.281	0.777	0.239	0.069	0.576	0.853	0.629
Compound_274	NCC1(C)CC(N)CC(C1)(C)C	0.178	0.213	0.049	0.32	0.023	0.076	0.001	0.006	0.612	0.004	0.057
Compound_275	CNc1cccc(c1)Br	0.952	0.184	0.96	0.511	0.229	0.649	0.295	0.985	0.851	0.959	0.174
Compound_276	Brc1cccc(c1)N(C)C	0.985	0.381	0.9	0.572	0.273	0.65	0.976	0.911	0.884	0.94	0.252
Compound_277	NCc1cccc(c1)C(F)(F)F	0.476	0.173	0.772	0.586	0.049	0.192	0.357	0.578	0.388	0.149	0.135
Compound_278	Nc1ccccc1c1ccccc1	0.952	0.743	0.982	0.868	0.312	0.633	0.997	0.95	0.956	0.989	0.854
Compound_279	COP(=S)(SCn1nnc2c(c1=O)cccc2)OC	0.66	0.525	0.955	0.676	0.866	0.2	0.572	0.215	0.738	0.008	0.401
Compound_280	CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC	0.271	0.863	0.778	0.685	0.624	0.535	0.935	0.991	0.228	0.315	0.918
Compound_281	CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC	0.429	0.532	0.974	0.565	0.354	0.557	0.035	0.044	0.283	0.983	0.518
Compound_282	CCNc1nc(NCC)nc(n1)SC	0.894	0.12	0.734	0.4	0.039	0.046	0.001	0.023	0.699	0.862	0.471
Compound_283	CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C	0.067	0.405	0.046	0.137	0.032	0.351	0.004	0.054	0.533	0.758	0.094
Compound_284	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	0.758	0.076	0.868	0.52	0.398	0.454	0.96	0.226	0.411	0.999	0.773
Compound_285	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.432	0.559	0.881	0.682	0.374	0.241	0.003	0.631	0.154	0.926	0.412
Compound_286	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.561	0.325	0.264	0.465	0.126	0.098	0.974	0.196	0.498	0.674	0.087
Compound_287	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.122	0.909	0.653	0.791	0.386	0.898	0.025	0.876	0.52	0.811	0.678
Compound_288	Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O	0.635	0.847	0.776	0.856	0.125	0.671	0.239	0.295	0.43	0.324	0.657
Compound_289	CCCN(C(=O)SCc1ccccc1)CCC	0.176	0.288	0.339	0.566	0.042	0.125	0.17	0.926	0.193	0.98	0.202
Compound_290	O=Cc1ccccc1Nc1ccccc1Cl	0.741	0.581	0.505	0.512	0.615	0.697	0.999	0.516	0.851	0.995	0.992
Compound_291	CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.467	0.563	0.015	0.154	0.576	0.133	0.053	0.058	0.47	0.002	0.137
Compound_292	Clc1ccc(c(c1)Cl)[C@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1	0.053	0.769	0.891	0.723	0.893	0.85	0.02	0.993	0.413	0.961	0.416
Compound_293	O=Cc1c(C)n(n(c1=O)c1ccccc1)C	0.138	0.454	0.012	0.32	0.141	0.655	0.304	0.022	0.649	0.08	0.291
Compound_294	CC=CC(=O)N(c1ccccc1C)CC	0.106	0.269	0.207	0.481	0.066	0.098	0.045	0.056	0.668	0.934	0.333
Compound_295	O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)NC(C)(C)C)C)C	0.352	0.755	0.011	0.436	0.415	0.964	0.613	0.851	0.402	0.868	0.159
Compound_296	CC(=O)Nc1ccc(cc1)N	0.714	0.216	0.677	0.591	0.053	0.396	0.904	0.043	0.879	0.317	0.517
Compound_297	COc1cc(ccc1N)c1ccc(c(c1)OC)N	0.71	0.616	0.992	0.809	0.405	0.389	0.989	0.983	0.869	0.693	0.946
Compound_298	Nc1ccc(cc1)Sc1ccc(cc1)N	0.547	0.56	0.952	0.695	0.644	0.564	0.96	0.983	0.83	0.996	0.943
Compound_299	CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C	0.975	0.72	0.895	0.662	0.333	0.965	0.981	0.375	0.95	0.861	0.906
Compound_300	CC(c1ccc(cc1)N)C	0.749	0.202	0.895	0.523	0.188	0.582	0.981	0.643	0.848	0.908	0.384
Compound_301	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	0.998	1.0	0.095	0.522	0.869	0.898	0.015	0.397	0.141	0.999	0.401
Compound_302	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.647	0.915	0.047	0.17	0.806	0.814	0.021	0.819	0.047	0.992	0.087
Compound_303	Oc1ccccc1c1ccccc1	0.953	0.75	0.899	0.834	0.489	0.603	0.974	0.985	0.877	0.928	0.778
Compound_304	CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O	0.832	0.916	0.282	0.558	0.927	0.98	0.8	0.943	0.828	0.99	0.992
Compound_305	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	0.952	0.937	0.989	0.918	0.925	0.984	0.998	0.964	0.95	0.078	0.983
Compound_306	O=C1CC[C@]2(C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]12CCC(=O)O1)C)C	0.968	0.99	0.034	0.926	0.971	0.936	0.447	0.971	0.248	0.995	0.475
Compound_307	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.997	1.0	0.095	0.831	0.89	0.884	0.015	0.252	0.092	0.998	0.5
Compound_308	O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.878	0.978	0.026	0.547	0.831	0.88	0.003	0.339	0.024	0.97	0.349
Compound_309	CN(S(=O)(=O)c1ccc(cc1)N)C	0.206	0.245	0.652	0.405	0.085	0.137	0.019	0.026	0.299	0.146	0.252
Compound_310	Cc1nc2c(s1)cccc2	0.862	0.722	0.988	0.553	0.345	0.814	0.996	0.899	0.968	0.963	0.455
Compound_311	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.952	0.113	0.275	0.535	0.093	0.105	0.993	0.016	0.593	0.992	0.769
Compound_312	CCNS(=O)(=O)c1ccc(cc1)C	0.097	0.425	0.036	0.116	0.111	0.082	0.005	0.047	0.35	0.083	0.091
Compound_313	O=C(c1ccccc1C(=O)O)OCc1ccccc1	0.694	0.28	0.45	0.543	0.344	0.452	0.996	0.068	0.578	0.168	0.901
Compound_314	CCOC(=O)c1ccccc1C(=O)O	0.579	0.088	0.775	0.39	0.105	0.066	0.984	0.023	0.448	0.238	0.486
Compound_315	CC(COC(=O)c1ccccc1C(=O)O)C	0.534	0.095	0.237	0.35	0.109	0.065	0.974	0.015	0.46	0.074	0.195
Compound_316	Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2	0.825	0.428	0.99	0.612	0.867	0.641	0.722	0.923	0.445	0.555	0.243
Compound_317	O=C(c1c(O)c(Cl)c(c(c1Cl)Cl)Cl)Nc1ccccc1	0.946	0.721	0.984	0.846	0.849	0.797	0.946	0.99	0.465	0.981	0.977
Compound_318	OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.957	0.062	0.368	0.651	0.212	0.082	0.943	0.311	0.083	0.7	0.959
Compound_319	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.959	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_320	OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.972	0.062	0.368	0.651	0.347	0.144	0.984	0.311	0.085	0.7	0.959
Compound_321	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	0.964	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_322	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	0.949	0.082	0.1	0.571	0.509	0.132	0.958	0.022	0.062	0.056	0.654
Compound_323	C=CC(=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	0.985	0.089	0.156	0.716	0.966	0.699	0.988	0.983	0.5	0.669	0.758
Compound_324	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)COc1ccccc1	0.658	0.21	0.106	0.539	0.898	0.208	0.988	0.051	0.205	0.147	0.626
Compound_325	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)(O)O	0.925	0.247	0.014	0.387	0.517	0.155	0.922	0.029	0.148	0.118	0.306
Compound_326	OCCC(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	0.964	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_327	OC(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)COP(=O)(O)O	0.925	0.247	0.014	0.387	0.517	0.155	0.922	0.029	0.148	0.118	0.306
Compound_328	OCCC(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	0.964	0.078	0.329	0.631	0.476	0.17	0.993	0.116	0.035	0.412	0.875
Compound_329	OC(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)COP(=O)(O)O	0.925	0.247	0.014	0.387	0.583	0.181	0.965	0.029	0.148	0.118	0.306
Compound_330	OCCC(C(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)(F)F	0.964	0.078	0.329	0.631	0.476	0.17	0.993	0.116	0.035	0.412	0.875
Compound_331	OC(CC(C(C(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)(F)F)(F)F)COP(=O)(O)O	0.925	0.247	0.014	0.387	0.583	0.181	0.965	0.029	0.148	0.118	0.306
Compound_332	OCCC(C(C(C(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)(F)F)(F)F)(F)F	0.964	0.078	0.329	0.631	0.476	0.17	0.993	0.116	0.035	0.412	0.875
Compound_333	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)CNCCCN(C)C	0.177	0.192	0.001	0.208	0.202	0.038	0.036	0.221	0.169	0.004	0.25
Compound_334	CN(CCCNCC(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)C	0.177	0.182	0.002	0.208	0.229	0.045	0.036	0.208	0.162	0.004	0.231
Compound_335	OC(CCC(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)NCCCN(C)C	0.312	0.203	0.001	0.236	0.22	0.161	0.037	0.265	0.101	0.003	0.299
Compound_336	OC(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)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_337	CN(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)C	0.177	0.182	0.002	0.208	0.229	0.045	0.036	0.208	0.162	0.004	0.231
Compound_338	CN(CCCNCC(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	0.177	0.192	0.001	0.208	0.202	0.038	0.036	0.221	0.169	0.004	0.25
Compound_339	OC(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)CNCCC[N+](CCC(=O)O)(C)C	0.126	0.218	0.008	0.309	0.296	0.017	0.032	0.012	0.189	0.001	0.198
Compound_340	OC(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)CNCCC[N+](CCC(=O)[O-])(C)C	0.181	0.218	0.004	0.364	0.296	0.017	0.032	0.009	0.16	0.001	0.198
Compound_341	CCCCOCCOCCOCC(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	0.888	0.147	0.081	0.61	0.695	0.305	0.961	0.096	0.439	0.93	0.734
Compound_342	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(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	0.875	0.136	0.204	0.599	0.827	0.699	0.929	0.204	0.34	0.596	0.69
Compound_343	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(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	0.875	0.136	0.204	0.599	0.827	0.699	0.929	0.204	0.34	0.596	0.69
Compound_344	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(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	0.875	0.146	0.115	0.553	0.805	0.625	0.964	0.211	0.397	0.596	0.693
Compound_345	OC(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)CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)C	0.956	0.151	0.074	0.555	0.719	0.308	0.967	0.22	0.332	0.583	0.552
Compound_346	CC(COCC(OCC(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)C)OCC(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	0.871	0.11	0.152	0.674	0.799	0.397	0.929	0.185	0.113	0.689	0.741
Compound_347	CC(COCC(OCC(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)C)OCC(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	0.871	0.113	0.084	0.612	0.775	0.323	0.964	0.173	0.18	0.689	0.739
Compound_348	OC(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)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_349	OC(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)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_350	OC(CC(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)COP(=O)(O)O	0.925	0.228	0.028	0.489	0.611	0.201	0.945	0.03	0.087	0.118	0.286
Compound_351	OC(CC(C(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)(F)F)COP(=O)(O)O	0.925	0.228	0.028	0.489	0.611	0.201	0.945	0.03	0.087	0.118	0.286
Compound_352	OP(=O)(OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.955	0.136	0.12	0.521	0.507	0.141	0.966	0.109	0.217	0.72	0.431
Compound_353	OP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)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	0.959	0.136	0.12	0.521	0.572	0.166	0.985	0.109	0.217	0.72	0.431
Compound_354	FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(CCOP(=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)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.959	0.136	0.12	0.521	0.572	0.166	0.985	0.109	0.217	0.72	0.431
Compound_355	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)CCOP(=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)CC)O	0.526	0.218	0.084	0.543	0.557	0.39	0.976	0.3	0.349	0.749	0.53
Compound_356	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)(C(C(C(CCOP(=O)(OCCC(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)(F)F)(F)F)(F)F)F	0.959	0.136	0.12	0.521	0.572	0.166	0.985	0.109	0.217	0.72	0.431
Compound_357	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)F	0.901	0.136	0.12	0.521	0.444	0.137	0.955	0.109	0.215	0.72	0.431
Compound_358	CCCS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.67	0.092	0.521	0.729	0.385	0.072	0.996	0.943	0.367	0.992	0.53
Compound_359	FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F	0.688	0.168	0.158	0.523	0.18	0.057	0.779	0.129	0.228	0.324	0.918
Compound_360	CCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.199	0.221	0.617	0.695	0.104	0.049	0.074	0.886	0.284	0.474	0.799
Compound_361	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.717	0.168	0.158	0.523	0.19	0.067	0.841	0.129	0.225	0.324	0.918
Compound_362	CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.25	0.221	0.617	0.695	0.157	0.078	0.208	0.886	0.282	0.474	0.799
Compound_363	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.738	0.168	0.158	0.523	0.197	0.07	0.894	0.129	0.224	0.324	0.918
Compound_364	FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.738	0.168	0.158	0.523	0.295	0.098	0.967	0.129	0.227	0.324	0.918
Compound_365	CNS(=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	0.464	0.182	0.547	0.617	0.25	0.098	0.56	0.893	0.222	0.963	0.907
Compound_366	FC(C(C(S(=O)(=O)N)(F)F)(F)F)(C(F)(F)F)F	0.626	0.168	0.158	0.523	0.17	0.05	0.779	0.129	0.231	0.324	0.918
Compound_367	OC(=O)CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.178	0.183	0.117	0.666	0.227	0.041	0.041	0.861	0.279	0.004	0.646
Compound_368	OC(=O)CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.222	0.183	0.117	0.666	0.317	0.066	0.085	0.861	0.278	0.004	0.646
Compound_369	OC(=O)CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.252	0.183	0.117	0.666	0.329	0.068	0.079	0.861	0.278	0.004	0.646
Compound_370	OC(=O)CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.137	0.183	0.117	0.666	0.216	0.036	0.041	0.861	0.28	0.004	0.646
Compound_371	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC	0.097	0.229	0.306	0.675	0.241	0.102	0.76	0.225	0.304	0.088	0.552
Compound_372	OCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.098	0.156	0.243	0.62	0.128	0.075	0.052	0.162	0.248	0.013	0.662
Compound_373	OCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.129	0.156	0.243	0.62	0.188	0.122	0.113	0.162	0.247	0.013	0.662
Compound_374	OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.17	0.229	0.306	0.675	0.268	0.155	0.77	0.225	0.303	0.088	0.552
Compound_375	OCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.15	0.156	0.243	0.62	0.196	0.13	0.149	0.162	0.248	0.013	0.662
Compound_376	OCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.071	0.156	0.243	0.62	0.12	0.064	0.052	0.162	0.249	0.013	0.662
Compound_377	C=CC(=O)OCC(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	0.985	0.089	0.156	0.716	0.976	0.759	0.995	0.983	0.5	0.669	0.758
Compound_378	C=CC(=O)OCC(CC(C(C(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)(F)F)(F)F)O	0.985	0.089	0.156	0.716	0.976	0.759	0.995	0.983	0.5	0.669	0.758
Compound_379	OC(=O)C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F	0.709	0.048	0.231	0.617	0.321	0.027	0.299	0.985	0.211	0.071	0.92
Compound_380	FC(=O)C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F	0.916	0.07	0.741	0.652	0.275	0.032	0.976	0.98	0.468	0.976	0.991
Compound_381	CCOC(=O)C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F	0.805	0.089	0.822	0.741	0.385	0.072	0.991	0.894	0.245	0.892	0.927
Compound_382	COC(=O)C(C(=O)OC)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.952	0.053	0.531	0.694	0.401	0.084	0.923	0.932	0.074	0.063	0.824
Compound_383	ClC(=O)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	0.995	0.076	0.585	0.707	0.43	0.177	0.999	0.837	0.111	0.997	0.984
Compound_384	C=COCCCCOC(=O)C(C(=O)OCCCCOC=C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.951	0.171	0.254	0.768	0.8	0.304	0.987	0.961	0.169	1.0	0.961
Compound_385	C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.992	0.07	0.573	0.813	0.928	0.606	1.0	0.998	0.383	0.974	0.937
Compound_386	O=C(C(=C)C)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.979	0.076	0.37	0.8	0.8	0.125	0.996	0.973	0.524	0.99	0.953
Compound_387	O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.995	0.076	0.37	0.8	0.839	0.117	0.999	0.973	0.521	0.99	0.953
Compound_388	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	1.003	0.054	0.835	0.784	0.944	0.571	1.0	0.998	0.403	0.995	0.956
Compound_389	O=C(C(=C)C)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.997	0.1	0.522	0.757	0.79	0.088	0.999	0.971	0.526	0.998	0.97
Compound_390	C=CC(=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	1.003	0.07	0.573	0.813	0.944	0.571	1.0	0.998	0.382	0.974	0.937
Compound_391	C=CC(=O)OCCC(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	1.003	0.098	0.431	0.741	0.932	0.446	1.0	0.997	0.669	0.974	0.929
Compound_392	C=CC(=O)OCCC(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	1.003	0.098	0.431	0.741	0.95	0.525	1.0	0.997	0.669	0.974	0.929
Compound_393	CC(=C)C(=O)OCCC(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	0.996	0.096	0.249	0.705	0.879	0.123	1.0	0.971	0.716	0.99	0.946
Compound_394	C=CC(=O)OCCC(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	1.003	0.07	0.573	0.813	0.958	0.644	1.0	0.998	0.382	0.974	0.937
Compound_395	O=C(C(=C)C)OCCC(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	0.996	0.076	0.37	0.8	0.877	0.156	1.0	0.973	0.521	0.99	0.953
Compound_396	C=CC(=O)OCCC(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	1.003	0.098	0.431	0.741	0.95	0.525	1.0	0.997	0.669	0.974	0.929
Compound_397	O=C(C(=C)C)OCCC(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	0.996	0.096	0.249	0.705	0.879	0.123	1.0	0.971	0.716	0.99	0.946
Compound_398	C=CC(=O)OCCC(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	1.003	0.07	0.573	0.813	0.958	0.644	1.0	0.998	0.382	0.974	0.937
Compound_399	CC(=C)C(=O)OCCC(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	0.996	0.076	0.37	0.8	0.877	0.156	1.0	0.973	0.521	0.99	0.953
Compound_400	C=CC(=O)OCCC(C(C(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)(F)F)(F)F	1.003	0.098	0.431	0.741	0.95	0.525	1.0	0.997	0.669	0.974	0.929
Compound_401	CC(=C)C(=O)OCCC(C(C(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)(F)F)(F)F	0.996	0.096	0.249	0.705	0.879	0.123	1.0	0.971	0.716	0.99	0.946
Compound_402	C=CC(=O)OCCC(C(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)(F)F	1.003	0.07	0.573	0.813	0.958	0.644	1.0	0.998	0.382	0.974	0.937
Compound_403	O=C(C(=C)C)OCCC(C(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)(F)F	0.996	0.076	0.37	0.8	0.877	0.156	1.0	0.973	0.521	0.99	0.953
Compound_404	C=CC(=O)OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F	1.003	0.098	0.431	0.741	0.95	0.525	1.0	0.997	0.669	0.974	0.929
Compound_405	O=C(C(=C)C)OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F	0.996	0.096	0.249	0.705	0.879	0.123	1.0	0.971	0.716	0.99	0.946
Compound_406	C=CC(=O)OCCC(C(C(C(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)(F)F)(F)F)(F)F	1.003	0.07	0.573	0.813	0.958	0.644	1.0	0.998	0.382	0.974	0.937
Compound_407	CC(=C)C(=O)OCCC(C(C(C(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)(F)F)(F)F)(F)F	0.996	0.076	0.37	0.8	0.877	0.156	1.0	0.973	0.521	0.99	0.953
Compound_408	FC(C(C(C(C(C(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_409	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(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	0.875	0.146	0.115	0.553	0.731	0.622	0.961	0.211	0.397	0.596	0.693
Compound_410	CCCCCC(C(C(C(OC(C(OC(C(OC(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.96	0.227	0.899	0.73	0.749	0.31	1.0	0.99	0.418	0.997	0.867
Compound_411	CC(OC(COCC(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)C)COCC(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	0.863	0.137	0.084	0.612	0.695	0.305	0.961	0.173	0.226	0.606	0.613
Compound_412	ICCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.976	0.176	0.61	0.656	0.461	0.248	0.983	0.148	0.235	0.998	0.866
Compound_413	ICCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.982	0.176	0.61	0.656	0.474	0.257	0.989	0.148	0.234	0.998	0.866
Compound_414	FC(C(C(I)(F)F)(F)F)(C(I)(F)F)F	0.942	0.198	0.745	0.648	0.636	0.305	0.974	0.303	0.573	1.0	0.836
Compound_415	ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_416	ICCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_417	FC(C(C(I)(F)F)(F)F)(C(C(C(I)(F)F)(F)F)(F)F)F	0.972	0.198	0.745	0.662	0.657	0.329	0.983	0.182	0.556	1.0	0.836
Compound_418	ICCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_419	ICCC(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	0.992	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_420	ICCC(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	0.992	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_421	ICCC(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	0.992	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_422	ICCC(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	0.992	0.176	0.61	0.656	0.667	0.377	0.999	0.148	0.237	0.998	0.866
Compound_423	ICCC(C(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)(F)F	0.992	0.176	0.61	0.656	0.667	0.377	0.999	0.148	0.237	0.998	0.866
Compound_424	ICCC(C(C(C(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)(F)F)(F)F)(F)F	0.992	0.176	0.61	0.656	0.667	0.377	0.999	0.148	0.237	0.998	0.866
Compound_425	OP(=O)(OCCC(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	0.985	0.1	0.07	0.415	0.414	0.11	0.979	0.095	0.211	0.068	0.374
Compound_426	OP(=O)(OCCC(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	0.985	0.089	0.117	0.514	0.444	0.126	0.973	0.109	0.097	0.068	0.353
Compound_427	OP(=O)(OCCC(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	0.985	0.1	0.07	0.415	0.414	0.11	0.979	0.095	0.211	0.068	0.374
Compound_428	OP(=O)(OCCC(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	0.985	0.089	0.117	0.514	0.444	0.126	0.973	0.109	0.097	0.068	0.353
Compound_429	OP(=O)(OCCC(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	0.985	0.1	0.07	0.415	0.414	0.11	0.979	0.095	0.211	0.068	0.374
Compound_430	OP(=O)(OCCC(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)O	0.985	0.089	0.117	0.514	0.509	0.149	0.985	0.109	0.097	0.068	0.353
Compound_431	OP(=O)(OCCC(C(C(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)(F)F)(F)F)O	0.985	0.1	0.07	0.415	0.479	0.13	0.989	0.095	0.211	0.068	0.374
Compound_432	OP(=O)(OCCC(C(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)(F)F)O	0.985	0.089	0.117	0.514	0.509	0.149	0.985	0.109	0.097	0.068	0.353
Compound_433	OP(=O)(OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O	0.985	0.1	0.07	0.415	0.479	0.13	0.989	0.095	0.211	0.068	0.374
Compound_434	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)(CCOP(=O)(OCCC(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)F	0.959	0.136	0.12	0.521	0.572	0.166	0.985	0.109	0.217	0.72	0.431
Compound_435	FC(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)(CCOP(=O)(OCCC(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-])F	0.971	0.218	0.548	0.616	0.5	0.133	0.993	0.868	0.226	0.979	0.782
Compound_436	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)(CCOP(=O)(OCCC(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	0.959	0.136	0.12	0.521	0.572	0.166	0.985	0.109	0.217	0.72	0.431
Compound_437	FC(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)(CCOP(=O)(OCCC(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)F	0.959	0.139	0.071	0.43	0.542	0.146	0.989	0.095	0.312	0.72	0.452
Compound_438	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)(CCOP(=O)(OCCC(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)O)F	0.959	0.136	0.12	0.521	0.653	0.184	0.985	0.109	0.217	0.72	0.431
Compound_439	FC(C(C(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)(F)F)(CCOP(=O)(OCCC(C(C(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)(F)F)(F)F)O)F	0.959	0.139	0.071	0.43	0.627	0.162	0.989	0.095	0.312	0.72	0.452
Compound_440	FC(C(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)(CCOP(=O)(OCCC(C(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)(F)F)O)F	0.959	0.136	0.12	0.521	0.653	0.184	0.985	0.109	0.217	0.72	0.431
Compound_441	FC(C(C(C(C(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)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O)F	0.959	0.139	0.071	0.43	0.627	0.162	0.989	0.095	0.312	0.72	0.452
Compound_442	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)Cl)F	0.88	0.176	0.585	0.673	0.251	0.111	0.989	0.869	0.361	0.975	0.648
Compound_443	ClS(=O)(=O)CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.923	0.176	0.585	0.673	0.261	0.114	0.991	0.869	0.36	0.975	0.648
Compound_444	ClS(=O)(=O)CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.934	0.176	0.585	0.673	0.398	0.168	0.994	0.869	0.362	0.975	0.648
Compound_445	C=CC(=O)OCCN(S(=O)(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.643	0.274	0.498	0.855	0.847	0.432	0.979	0.995	0.377	0.99	0.677
Compound_446	C=CC(=O)OCCN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.629	0.27	0.498	0.852	0.867	0.47	0.986	0.998	0.388	0.987	0.668
Compound_447	ClS(=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	0.934	0.176	0.585	0.673	0.398	0.168	0.994	0.869	0.362	0.975	0.648
Compound_448	[O-]C(=O)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	0.193	0.378	0.01	0.52	0.412	0.059	0.122	0.825	0.384	0.041	0.548
Compound_449	[O-]C(=O)CC[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	0.194	0.378	0.015	0.57	0.322	0.123	0.128	0.324	0.371	0.036	0.556
Compound_450	ClS(=O)(=O)CCC(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	0.934	0.176	0.585	0.673	0.398	0.168	0.994	0.869	0.362	0.975	0.648
Compound_451	[O-]C(=O)CC[N+](CCCN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)(C)C	0.37	0.457	0.03	0.646	0.391	0.191	0.862	0.818	0.378	0.709	0.576
Compound_452	CN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC[N+](CC(=O)[O-])(C)C	0.387	0.457	0.02	0.612	0.544	0.124	0.915	0.962	0.388	0.748	0.566
Compound_453	C=CC(=O)OCCN(S(=O)(=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)C	0.656	0.274	0.498	0.855	0.867	0.47	0.986	0.995	0.378	0.99	0.677
Compound_454	C=CC(=O)OCCN(S(=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	0.646	0.27	0.498	0.852	0.893	0.532	0.995	0.998	0.388	0.987	0.668
Compound_455	ClS(=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	0.934	0.176	0.585	0.673	0.398	0.168	0.994	0.869	0.362	0.975	0.648
Compound_456	C=CC(=O)OCCN(S(=O)(=O)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)C	0.656	0.274	0.498	0.855	0.893	0.532	0.995	0.995	0.378	0.99	0.677
Compound_457	C=CC(=O)OCCN(S(=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	0.646	0.27	0.498	0.852	0.893	0.532	0.995	0.998	0.388	0.987	0.668
Compound_458	ClS(=O)(=O)CCC(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	0.934	0.176	0.585	0.673	0.398	0.168	0.994	0.869	0.362	0.975	0.648
Compound_459	C=CC(=O)OCCN(S(=O)(=O)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)C	0.656	0.274	0.498	0.855	0.893	0.532	0.995	0.995	0.378	0.99	0.677
Compound_460	C=CC(=O)OCCN(S(=O)(=O)CCC(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	0.646	0.27	0.498	0.852	0.893	0.532	0.995	0.998	0.388	0.987	0.668
Compound_461	C=CC(=O)OCCN(S(=O)(=O)CC(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)C	0.656	0.274	0.498	0.855	0.893	0.532	0.995	0.995	0.378	0.99	0.677
Compound_462	C=CC(=O)OCCN(S(=O)(=O)CCC(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)C	0.646	0.27	0.498	0.852	0.893	0.532	0.995	0.998	0.388	0.987	0.668
Compound_463	C=CC(=O)OCCN(S(=O)(=O)CC(C(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)(F)F)C	0.656	0.274	0.498	0.855	0.893	0.532	0.995	0.995	0.378	0.99	0.677
Compound_464	C=CC(=O)OCCN(S(=O)(=O)CCC(C(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)(F)F)C	0.646	0.27	0.498	0.852	0.893	0.532	0.995	0.998	0.388	0.987	0.668
Compound_465	N#CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.924	0.142	0.307	0.691	0.661	0.2	0.996	0.781	0.309	0.989	0.986
Compound_466	O=C(C(=C)C)OCCC(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	0.996	0.096	0.249	0.705	0.841	0.091	0.999	0.971	0.716	0.99	0.946
Compound_467	OCCN(OP(=O)(OCCC(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)OCCC(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)CCO	0.552	0.158	0.379	0.657	0.681	0.249	0.705	0.386	0.168	0.115	0.553
Compound_468	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	0.15	0.156	0.243	0.62	0.225	0.152	0.229	0.162	0.249	0.013	0.662
Compound_469	O=CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.979	0.068	0.606	0.682	0.276	0.464	0.999	0.861	0.135	0.994	0.967
Compound_470	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	0.982	0.068	0.606	0.682	0.276	0.464	0.999	0.861	0.135	0.994	0.967
Compound_471	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	0.982	0.068	0.606	0.682	0.276	0.464	0.999	0.861	0.135	0.994	0.967
Compound_472	O=CCC(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	0.982	0.068	0.606	0.682	0.276	0.464	0.999	0.861	0.135	0.994	0.967
Compound_473	O=CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.934	0.068	0.606	0.682	0.179	0.355	0.988	0.861	0.158	0.994	0.967
Compound_474	OC(=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	0.886	0.014	0.159	0.608	0.382	0.051	0.99	0.635	0.012	0.096	0.694
Compound_475	OC(=O)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	0.886	0.014	0.159	0.608	0.382	0.051	0.99	0.635	0.012	0.096	0.694
Compound_476	OC(=O)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	0.886	0.014	0.159	0.608	0.382	0.051	0.99	0.635	0.012	0.096	0.694
Compound_477	OC(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.874	0.014	0.159	0.608	0.382	0.051	0.99	0.635	0.012	0.096	0.694
Compound_478	C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.962	0.085	0.865	0.71	0.725	0.081	0.999	0.888	0.242	1.0	0.902
Compound_479	C=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	0.981	0.085	0.865	0.71	0.766	0.101	1.0	0.888	0.245	1.0	0.902
Compound_480	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)F)(F)F)(F)F	0.981	0.085	0.865	0.71	0.766	0.101	1.0	0.888	0.245	1.0	0.902
Compound_481	C=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	0.981	0.085	0.865	0.71	0.766	0.101	1.0	0.888	0.245	1.0	0.902
Compound_482	OC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.735	0.025	0.408	0.602	0.29	0.02	0.928	0.461	0.029	0.043	0.416
Compound_483	OC(=O)CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.874	0.025	0.408	0.602	0.446	0.04	0.99	0.461	0.028	0.043	0.416
Compound_484	OC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.886	0.025	0.408	0.602	0.446	0.04	0.99	0.461	0.028	0.043	0.416
Compound_485	OS(=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	0.85	0.081	0.199	0.661	0.395	0.264	0.986	0.519	0.346	0.374	0.273
Compound_486	OS(=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	0.85	0.081	0.199	0.661	0.395	0.264	0.986	0.519	0.346	0.374	0.273
Compound_487	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)O)F	0.741	0.081	0.199	0.661	0.275	0.224	0.96	0.519	0.346	0.374	0.273
Compound_488	O=C/C=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F	0.933	0.216	0.674	0.741	0.597	0.591	0.999	0.958	0.304	1.0	0.986
Compound_489	O=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	0.961	0.216	0.674	0.741	0.653	0.642	1.0	0.958	0.303	1.0	0.986
Compound_490	O=CC=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	0.966	0.216	0.674	0.741	0.653	0.642	1.0	0.958	0.303	1.0	0.986
Compound_491	O=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	0.966	0.216	0.674	0.741	0.653	0.642	1.0	0.958	0.303	1.0	0.986
Compound_492	O=C/C=C(/C(C(C(F)(F)F)(F)F)(F)F)\F	0.939	0.216	0.674	0.733	0.456	0.421	0.997	0.978	0.329	1.0	0.986
Compound_493	OC(=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	0.886	0.014	0.295	0.594	0.446	0.04	0.99	0.455	0.009	0.096	0.694
Compound_494	OC(=O)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	0.886	0.014	0.295	0.594	0.446	0.04	0.99	0.455	0.009	0.096	0.694
Compound_495	OC(=O)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	0.886	0.014	0.295	0.594	0.446	0.04	0.99	0.455	0.009	0.096	0.694
Compound_496	OC(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.874	0.014	0.295	0.594	0.446	0.04	0.99	0.455	0.009	0.096	0.694
Compound_497	FC(=C(F)F)F	0.933	0.421	0.433	0.535	0.414	0.025	0.871	0.991	0.942	0.999	0.863
Compound_498	FC(=C(F)F)Cl	0.936	0.398	0.433	0.535	0.431	0.018	0.964	0.991	0.929	0.999	0.884
Compound_499	FC(=C(C(F)(F)F)F)F	0.942	0.395	0.433	0.617	0.507	0.025	0.99	0.926	0.83	1.0	0.888
Compound_500	FC(=C(OC(F)(F)F)F)F	0.868	0.383	0.27	0.628	0.334	0.034	0.871	0.998	0.616	0.999	0.959
Compound_501	FC(=C(OC(C(F)(F)F)(F)F)F)F	0.885	0.383	0.928	0.627	0.27	0.022	0.877	0.958	0.263	0.999	0.959
Compound_502	O=C(c1ccc(cc1)F)c1ccc(cc1)F	0.978	0.546	0.604	0.649	0.265	0.606	0.953	0.609	0.722	0.994	0.882
Compound_503	FC(=C(OC(C(C(F)(F)F)(F)F)(F)F)F)F	0.899	0.383	0.814	0.64	0.308	0.028	0.991	0.779	0.307	0.999	0.959
Compound_504	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)CCOP(=O)(O)O	0.491	0.208	0.082	0.536	0.373	0.266	0.946	0.3	0.294	0.3	0.521
Compound_505	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCOP(=O)(O)O)F	0.947	0.089	0.117	0.514	0.293	0.1	0.92	0.109	0.096	0.068	0.353
Compound_506	CN(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	0.636	0.215	0.605	0.699	0.28	0.168	0.984	0.919	0.349	0.984	0.902
Compound_507	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)CC	0.344	0.252	0.452	0.692	0.29	0.225	0.955	0.902	0.31	0.955	0.779
Compound_508	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.313	0.271	0.454	0.849	0.799	0.285	0.984	0.994	0.36	0.974	0.66
Compound_509	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)C=C	0.414	0.271	0.454	0.849	0.816	0.369	0.984	0.994	0.357	0.974	0.66
Compound_510	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)C=C	0.436	0.271	0.454	0.849	0.82	0.376	0.982	0.994	0.357	0.974	0.66
Compound_511	CN(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)C(=C)C	0.402	0.209	0.246	0.805	0.638	0.148	0.975	0.978	0.397	0.946	0.68
Compound_512	CN(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)C(=C)C	0.402	0.209	0.246	0.805	0.674	0.173	0.989	0.978	0.397	0.946	0.68
Compound_513	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.101	0.181	0.059	0.582	0.424	0.042	0.547	0.909	0.258	0.183	0.573
Compound_514	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.135	0.181	0.059	0.582	0.441	0.049	0.547	0.909	0.257	0.183	0.573
Compound_515	CCN(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	0.172	0.181	0.059	0.582	0.453	0.059	0.547	0.909	0.256	0.183	0.573
Compound_516	CCOC(=O)CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.358	0.29	0.69	0.747	0.456	0.088	0.914	0.944	0.337	0.817	0.66
Compound_517	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)CC(=O)O	0.198	0.181	0.059	0.582	0.463	0.062	0.53	0.909	0.256	0.183	0.573
Compound_518	CCOC(=O)CN(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)CC	0.38	0.29	0.69	0.747	0.464	0.091	0.932	0.944	0.338	0.817	0.66
Compound_519	FC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.936	0.076	0.758	0.69	0.23	0.026	0.975	0.872	0.212	0.999	0.974
Compound_520	FC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.964	0.076	0.758	0.69	0.351	0.048	0.997	0.872	0.186	0.999	0.974
Compound_521	FC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.924	0.076	0.758	0.676	0.241	0.017	0.977	0.93	0.263	0.999	0.974
Compound_522	FC(C(C(C(C(=O)O)(F)F)(F)F)(F)F)F	0.616	0.021	0.377	0.601	0.275	0.024	0.899	0.985	0.302	0.294	0.916
Compound_523	FC(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)F	0.678	0.114	0.29	0.582	0.187	0.204	0.941	0.978	0.396	0.889	0.205
Compound_524	OCCN(S(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)C	0.121	0.241	0.514	0.613	0.18	0.076	0.592	0.578	0.352	0.014	0.621
Compound_525	FC(=C(F)F)OC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F	0.948	0.383	0.944	0.587	0.217	0.048	0.992	0.936	0.438	0.999	0.959
Compound_526	CCCCC(=O)OCC(C(C(C(CCC)(F)F)(F)F)(F)F)(F)F	0.9	0.043	0.592	0.783	0.532	0.061	0.997	0.947	0.312	0.997	0.911
Compound_527	FC(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.978	0.074	0.841	0.614	0.28	0.154	0.997	0.98	0.414	0.999	0.989
Compound_528	FC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.95	0.076	0.758	0.69	0.228	0.029	0.984	0.872	0.193	0.999	0.974
Compound_529	OCCN(S(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)CCO	0.095	0.172	0.476	0.612	0.291	0.16	0.663	0.541	0.363	0.143	0.627
Compound_530	FC(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	0.915	0.021	0.377	0.623	0.382	0.051	0.99	0.98	0.237	0.294	0.916
Compound_531	FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.958	0.064	0.745	0.662	0.473	0.065	0.997	0.182	0.147	1.0	0.937
Compound_532	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(C(F)(F)F)S(=O)(=O)F)(F)F)(F)F)(F)F	0.902	0.478	0.362	0.469	0.343	0.118	0.991	0.769	0.473	0.996	0.534
Compound_533	FC(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.995	0.074	0.841	0.614	0.43	0.177	0.999	0.98	0.408	0.999	0.989
Compound_534	FC(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	0.915	0.021	0.377	0.623	0.382	0.051	0.99	0.98	0.237	0.294	0.916
Compound_535	FC(C(C(C(S(=O)(=O)OS(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.739	0.152	0.828	0.593	0.16	0.138	0.969	0.979	0.4	0.97	0.236
Compound_536	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)(C(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_537	FC(C(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)Oc1ccc(cc1)S(=O)(=O)Cl)(F)F	0.836	0.483	0.795	0.737	0.548	0.544	0.803	0.549	0.164	0.985	0.599
Compound_538	CCCC[C@@H](C(=O)Nc1ccc(c(c1)O)NC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.683	0.611	0.923	0.661	0.786	0.513	0.926	0.815	0.424	0.319	0.481
Compound_539	FC(C(C(C(C(C(C(=O)OOC(=O)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	0.908	0.102	0.753	0.617	0.279	0.111	0.943	0.981	0.301	0.565	0.943
Compound_540	CN(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)CCOP(=O)(O)O	0.523	0.579	0.604	0.49	0.428	0.382	0.952	0.215	0.302	0.271	0.417
Compound_541	FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.868	0.127	0.786	0.698	0.174	0.059	0.984	0.72	0.309	0.999	0.635
Compound_542	FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.883	0.127	0.786	0.698	0.182	0.061	0.99	0.72	0.307	0.999	0.635
Compound_543	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.883	0.127	0.786	0.698	0.279	0.089	0.995	0.72	0.31	0.999	0.635
Compound_544	FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.891	0.127	0.786	0.698	0.279	0.089	0.995	0.72	0.31	0.999	0.635
Compound_545	FC(C(C(S(=O)(=O)F)(F)F)(F)F)(C(F)(F)F)F	0.822	0.127	0.786	0.698	0.155	0.043	0.977	0.72	0.321	0.999	0.635
Compound_546	OC(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F	0.847	0.106	0.365	0.601	0.33	0.034	0.878	0.132	0.188	0.93	0.964
Compound_547	FC(N1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.713	0.318	0.328	0.385	0.19	0.072	0.838	0.855	0.459	0.938	0.14
Compound_548	FC(C(N1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F	0.717	0.318	0.331	0.429	0.19	0.072	0.838	0.556	0.208	0.938	0.14
Compound_549	FC(C(C(C(F)(F)F)(F)F)(F)F)(N(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	0.668	0.099	0.349	0.403	0.319	0.077	0.952	0.589	0.187	0.993	0.86
Compound_550	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(N(C(C(C(C(C(F)(F)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	0.683	0.099	0.349	0.419	0.312	0.113	0.952	0.486	0.19	0.993	0.86
Compound_551	FC(OCC(C(F)(F)F)(C(F)(F)F)F)F	0.905	0.074	0.403	0.639	0.172	0.065	0.985	0.904	0.197	0.997	0.981
Compound_552	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.909	0.095	0.978	0.702	0.206	0.048	0.994	0.691	0.293	0.997	0.97
Compound_553	FC(C1(F)OC(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.964	0.211	0.48	0.655	0.251	0.06	0.919	0.666	0.258	0.992	0.366
Compound_554	FC1(F)OC(F)(F)C(C(C(C1(F)F)(F)F)(F)F)(F)F	0.962	0.245	0.912	0.641	0.464	0.095	0.984	0.918	0.395	0.999	0.767
Compound_555	FC(C(C(F)(F)F)(C(F)(F)F)C1OC(C(C1(F)F)(F)F)(F)F)(F)F	0.971	0.331	0.885	0.618	0.388	0.232	0.978	0.867	0.305	0.998	0.864
Compound_556	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F	0.928	0.127	0.917	0.631	0.281	0.084	0.989	0.596	0.18	0.997	0.966
Compound_557	FC(C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.972	0.313	0.919	0.665	0.428	0.109	0.992	0.587	0.267	0.998	0.829
Compound_558	FC(C(C1(C(F)(F)F)C(F)(OC(C1(F)C(F)(F)F)(F)C(F)(F)F)C(F)(F)F)(F)F)(F)F	0.947	0.331	0.172	0.618	0.436	0.102	0.949	0.642	0.167	0.998	0.864
Compound_559	FC(C(C(C(C1(F)OC(F)(F)C(C(C1(F)F)(F)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	0.969	0.211	0.919	0.665	0.394	0.086	0.977	0.587	0.281	0.992	0.366
Compound_560	FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F	0.95	0.198	0.745	0.648	0.455	0.209	0.974	0.303	0.264	1.0	0.836
Compound_561	IC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	0.927	0.211	0.455	0.647	0.429	0.202	0.97	0.848	0.609	1.0	0.822
Compound_562	FC(C(C(C(C(I)(F)F)(F)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_563	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.969	0.198	0.745	0.662	0.481	0.242	0.983	0.182	0.252	1.0	0.836
Compound_564	FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.965	0.198	0.745	0.662	0.494	0.25	0.989	0.182	0.25	1.0	0.836
Compound_565	FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.975	0.198	0.745	0.662	0.615	0.302	0.996	0.182	0.253	1.0	0.836
Compound_566	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(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_567	FC(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F	0.975	0.211	0.643	0.617	0.598	0.276	0.992	0.143	0.465	1.0	0.822
Compound_568	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(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_569	FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F	0.977	0.211	0.643	0.617	0.598	0.276	0.992	0.143	0.465	1.0	0.822
Compound_570	FC(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.977	0.198	0.745	0.662	0.615	0.302	0.996	0.182	0.253	1.0	0.836
Compound_571	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F	0.977	0.211	0.643	0.617	0.598	0.276	0.992	0.143	0.465	1.0	0.822
Compound_572	FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)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_573	FC(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(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_574	FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F	0.977	0.211	0.643	0.617	0.598	0.276	0.992	0.143	0.465	1.0	0.822
Compound_575	FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)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	0.977	0.198	0.745	0.662	0.615	0.302	0.996	0.182	0.253	1.0	0.836
Compound_576	FC(C(C(C(C(C(C(C(C(C(C(C(I)(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(F)(F)F)(F)F)(F)F)(F)F)F	0.977	0.198	0.745	0.662	0.66	0.346	0.999	0.182	0.253	1.0	0.836
Compound_577	FC(C(C(C(C(C(C(C(C(C(C(C(C(I)(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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.977	0.198	0.745	0.662	0.66	0.346	0.999	0.182	0.253	1.0	0.836
Compound_578	FC(C(C(C(C(C(C(C(C(C(C(C(C(C(I)(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)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.977	0.198	0.745	0.662	0.66	0.346	0.999	0.182	0.253	1.0	0.836
Compound_579	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(C(C(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)(F)F)(F)F)F	0.977	0.198	0.745	0.662	0.66	0.346	0.999	0.182	0.253	1.0	0.836
Compound_580	FC(C(C(C(C(C(C(C(C(C(C(C(I)(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	0.977	0.198	0.745	0.662	0.66	0.346	0.999	0.182	0.253	1.0	0.836
Compound_581	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(C(C(C(C(C(C(C(C(C(C(C(C(I)(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)F)(F)F)(F)F)(F)F)F	0.977	0.198	0.745	0.662	0.66	0.346	0.999	0.182	0.253	1.0	0.836
Compound_582	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	1.003	0.057	0.903	0.728	0.944	0.571	1.0	0.999	0.584	0.993	0.957
Compound_583	OCC(C(C(C(F)F)(F)F)(F)F)(F)F	0.886	0.065	0.539	0.588	0.245	0.06	0.907	0.794	0.295	0.618	0.96
Compound_584	OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.965	0.065	0.539	0.588	0.251	0.066	0.943	0.794	0.275	0.618	0.96
Compound_585	OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.065	0.539	0.588	0.401	0.12	0.984	0.794	0.281	0.618	0.96
Compound_586	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	0.976	0.065	0.539	0.588	0.401	0.12	0.984	0.794	0.281	0.618	0.96
Compound_587	OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O	0.864	0.069	0.385	0.629	0.184	0.112	0.926	0.057	0.113	0.283	0.924
Compound_588	OC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.956	0.069	0.385	0.629	0.189	0.119	0.955	0.057	0.097	0.283	0.924
Compound_589	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)O	0.975	0.069	0.385	0.629	0.305	0.189	0.988	0.057	0.1	0.283	0.924
Compound_590	OC(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)O	0.975	0.069	0.385	0.629	0.305	0.189	0.988	0.057	0.1	0.283	0.924
Compound_591	O=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.915	0.076	0.724	0.67	0.186	0.315	0.988	0.93	0.264	0.999	0.974
Compound_592	O=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.967	0.076	0.724	0.67	0.176	0.36	0.993	0.93	0.215	0.999	0.974
Compound_593	O=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.979	0.076	0.724	0.67	0.276	0.464	0.999	0.93	0.208	0.999	0.974
Compound_594	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	0.982	0.076	0.724	0.67	0.276	0.464	0.999	0.93	0.208	0.999	0.974
Compound_595	O=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	0.982	0.076	0.724	0.67	0.276	0.464	0.999	0.93	0.208	0.999	0.974
Compound_596	C=COCC(C(C(C(F)F)(F)F)(F)F)(F)F	0.95	0.093	0.687	0.54	0.437	0.081	0.998	0.909	0.4	0.998	0.974
Compound_597	C=COCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.977	0.093	0.687	0.54	0.568	0.134	1.0	0.909	0.377	0.998	0.974
Compound_598	C=COCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.982	0.093	0.687	0.54	0.623	0.164	1.0	0.909	0.384	0.998	0.974
Compound_599	C=COCC(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	0.982	0.093	0.687	0.54	0.623	0.164	1.0	0.909	0.384	0.998	0.974
Compound_600	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.86	0.127	0.786	0.698	0.165	0.049	0.977	0.72	0.315	0.999	0.635
Compound_601	FC(C(C(C(C(C(C(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_602	FC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F	0.978	0.212	0.393	0.615	0.626	0.149	0.989	0.662	0.494	0.998	0.977
Compound_603	CC1(C)OCC(O1)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	0.943	0.187	0.281	0.643	0.562	0.187	0.989	0.736	0.333	0.717	0.798
Compound_604	FC(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)(CC1CO1)F	0.978	0.212	0.393	0.615	0.626	0.149	0.989	0.662	0.494	0.998	0.977
Compound_605	FC(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)(C(CC1OC1)(F)F)F	0.978	0.212	0.393	0.615	0.687	0.191	0.995	0.662	0.494	0.998	0.977
Compound_606	FC(C(C(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)(F)F)(CC1CO1)F	0.978	0.212	0.393	0.615	0.687	0.191	0.995	0.662	0.494	0.998	0.977
Compound_607	FC(C(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)(C(C(C(CC1OC1)(F)F)(F)F)(F)F)F	0.978	0.212	0.393	0.615	0.687	0.191	0.995	0.662	0.494	0.998	0.977
Compound_608	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	0.998	0.112	0.667	0.684	0.839	0.117	0.999	0.986	0.597	0.997	0.971
Compound_609	FC(C(C(C(COP(=O)(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	0.917	0.28	0.88	0.6	0.411	0.111	0.988	0.976	0.383	0.998	0.744
Compound_610	FC(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)(CCOP(=O)(OCCC(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)F	0.959	0.139	0.071	0.43	0.542	0.146	0.989	0.095	0.312	0.72	0.452
Compound_611	C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.475	0.29	0.519	0.835	0.749	0.55	0.978	0.999	0.374	0.968	0.683
Compound_612	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C=C	0.365	0.271	0.454	0.849	0.808	0.314	0.984	0.994	0.359	0.974	0.66
Compound_613	C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.522	0.29	0.519	0.835	0.76	0.583	0.978	0.999	0.374	0.968	0.683
Compound_614	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.492	0.254	0.498	0.859	0.823	0.365	0.984	0.996	0.365	0.942	0.678
Compound_615	C=CC(=O)OCCCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.569	0.29	0.519	0.835	0.768	0.643	0.978	0.999	0.373	0.968	0.683
Compound_616	C=CC(=O)OCCN(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)C	0.513	0.254	0.498	0.859	0.827	0.371	0.982	0.996	0.365	0.942	0.678
Compound_617	CCCCN(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)C=C	0.439	0.284	0.545	0.833	0.858	0.499	0.988	0.995	0.387	0.996	0.652
Compound_618	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.279	0.209	0.246	0.805	0.604	0.101	0.968	0.978	0.398	0.946	0.68
Compound_619	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.234	0.25	0.229	0.795	0.593	0.104	0.968	0.973	0.405	0.973	0.675
Compound_620	CN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.333	0.209	0.246	0.805	0.617	0.115	0.968	0.978	0.398	0.946	0.68
Compound_621	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.28	0.25	0.229	0.795	0.606	0.118	0.968	0.973	0.404	0.973	0.675
Compound_622	CN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.461	0.25	0.243	0.824	0.578	0.269	0.914	0.987	0.396	0.978	0.694
Compound_623	CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.382	0.209	0.246	0.805	0.63	0.143	0.968	0.978	0.397	0.946	0.68
Compound_624	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)C(=C)C	0.331	0.25	0.229	0.795	0.618	0.147	0.968	0.973	0.403	0.973	0.675
Compound_625	CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.505	0.25	0.243	0.824	0.59	0.321	0.914	0.987	0.395	0.978	0.694
Compound_626	C=CC(=O)OCCCCN(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)C	0.587	0.29	0.519	0.835	0.773	0.645	0.975	0.999	0.373	0.968	0.683
Compound_627	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)C(=C)C	0.349	0.25	0.229	0.795	0.627	0.152	0.975	0.973	0.403	0.973	0.675
Compound_628	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.383	0.208	0.082	0.536	0.288	0.197	0.952	0.3	0.295	0.3	0.521
Compound_629	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.436	0.208	0.082	0.536	0.308	0.212	0.952	0.3	0.294	0.3	0.521
Compound_630	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)CCOP(=O)(O)O	0.491	0.208	0.082	0.536	0.339	0.246	0.96	0.3	0.293	0.3	0.521
Compound_631	CCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(OCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC)O	0.477	0.218	0.084	0.543	0.488	0.327	0.974	0.3	0.349	0.749	0.53
Compound_632	CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.268	0.182	0.547	0.617	0.135	0.044	0.144	0.893	0.225	0.963	0.907
Compound_633	CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.353	0.182	0.547	0.617	0.144	0.052	0.144	0.893	0.223	0.963	0.907
Compound_634	CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.422	0.182	0.547	0.617	0.152	0.063	0.202	0.893	0.22	0.963	0.907
Compound_635	CCOC(=O)CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC	0.28	0.29	0.69	0.747	0.43	0.063	0.914	0.944	0.338	0.817	0.66
Compound_636	CN(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.077	0.353	0.002	0.392	0.144	0.082	0.105	0.506	0.329	0.244	0.656
Compound_637	C=CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.242	0.194	0.762	0.72	0.449	0.095	0.594	0.992	0.276	0.426	0.812
Compound_638	OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.208	0.241	0.345	0.685	0.276	0.151	0.77	0.282	0.301	0.014	0.621
Compound_639	CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.464	0.182	0.547	0.617	0.219	0.084	0.431	0.893	0.22	0.963	0.907
Compound_640	CCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.284	0.221	0.617	0.695	0.164	0.083	0.265	0.886	0.283	0.474	0.799
Compound_641	CN(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.101	0.353	0.002	0.392	0.152	0.107	0.149	0.506	0.328	0.244	0.656
Compound_642	C=CCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.274	0.194	0.762	0.72	0.46	0.101	0.661	0.992	0.276	0.426	0.812
Compound_643	OCCN(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)C	0.238	0.241	0.345	0.685	0.287	0.162	0.821	0.282	0.301	0.014	0.621
Compound_644	C=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)CC	0.275	0.215	0.476	0.748	0.555	0.156	0.987	0.973	0.282	0.986	0.766
Compound_645	OCCCCN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.203	0.228	0.281	0.703	0.212	0.222	0.74	0.534	0.355	0.075	0.563
Compound_646	CN(CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.118	0.353	0.002	0.392	0.158	0.117	0.167	0.506	0.329	0.244	0.656
Compound_647	OCCCCN(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)C	0.281	0.228	0.281	0.703	0.231	0.291	0.805	0.534	0.355	0.075	0.563
Compound_648	CCCCN(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)CCO	0.187	0.251	0.366	0.723	0.249	0.22	0.788	0.484	0.332	0.185	0.541
Compound_649	FC(C(C(C(C(C(S(=O)(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.836	0.149	0.786	0.698	0.209	0.063	0.989	0.72	0.323	0.998	0.652
Compound_650	FC(C(C(C(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.891	0.127	0.786	0.698	0.279	0.089	0.995	0.72	0.31	0.999	0.635
Compound_651	OC(=O)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	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_652	OC(=O)C(C(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)(F)F	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_653	OC(=O)C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.795	0.031	0.157	0.63	0.317	0.019	0.926	0.863	0.132	0.354	0.917
Compound_654	FC(=O)C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.936	0.088	0.639	0.618	0.198	0.021	0.971	0.801	0.424	0.999	0.969
Compound_655	OC(=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	0.877	0.031	0.157	0.652	0.431	0.029	0.991	0.83	0.114	0.354	0.917
Compound_656	FC(=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	0.964	0.088	0.639	0.618	0.321	0.038	0.994	0.801	0.378	0.999	0.969
Compound_657	OC(=O)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	0.887	0.031	0.157	0.652	0.431	0.029	0.991	0.83	0.114	0.354	0.917
Compound_658	FC(=O)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	0.967	0.088	0.639	0.618	0.321	0.038	0.994	0.801	0.378	0.999	0.969
Compound_659	OC(=O)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	0.887	0.031	0.157	0.652	0.431	0.029	0.991	0.83	0.114	0.354	0.917
Compound_660	OC(=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	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_661	FC(=O)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	0.967	0.088	0.639	0.618	0.321	0.038	0.994	0.801	0.378	0.999	0.969
Compound_662	OCC[N+]1(CCN(CC1)C(=O)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)CC(=O)[O-]	0.245	0.248	0.059	0.52	0.359	0.146	0.154	0.267	0.237	0.126	0.247
Compound_663	OC(=O)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	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_664	OC(=O)C(C(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)(F)F	0.887	0.031	0.157	0.652	0.431	0.029	0.991	0.83	0.114	0.354	0.917
Compound_665	FC(=O)C(C(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)(F)F	0.967	0.088	0.639	0.618	0.321	0.038	0.994	0.801	0.378	0.999	0.969
Compound_666	OC(=O)C(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	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_667	OC(=O)C(C(C(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)(F)F)(F)F	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_668	OC(=O)C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_669	FC(C(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.746	0.147	0.117	0.473	0.551	0.105	0.964	0.095	0.163	0.642	0.557
Compound_670	FC(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.81	0.147	0.117	0.473	0.669	0.143	0.99	0.095	0.164	0.642	0.557
Compound_671	FC(C(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.821	0.147	0.117	0.473	0.669	0.143	0.99	0.095	0.164	0.642	0.557
Compound_672	FC(C(C(P(=O)(O)O)(F)F)(F)F)(C(F)(F)F)F	0.726	0.147	0.117	0.473	0.513	0.082	0.947	0.095	0.176	0.642	0.557
Compound_673	FC(C(P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.782	0.14	0.128	0.512	0.759	0.193	0.983	0.128	0.163	0.924	0.839
Compound_674	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.782	0.14	0.128	0.512	0.759	0.193	0.983	0.128	0.163	0.924	0.839
Compound_675	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)F	0.828	0.14	0.128	0.512	0.788	0.229	0.99	0.128	0.164	0.924	0.839
Compound_676	FC(C(C(C(C(C(C(C(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(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.828	0.14	0.128	0.512	0.815	0.249	0.998	0.128	0.164	0.924	0.839
Compound_677	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)(C(P(=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)O)(F)F)F	0.837	0.14	0.128	0.512	0.815	0.249	0.998	0.128	0.164	0.924	0.839
Compound_678	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)(P(=O)(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)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_679	FC(C(C(C(F)(F)F)(F)F)(F)F)(P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)F	0.782	0.14	0.128	0.512	0.732	0.153	0.975	0.128	0.176	0.924	0.839
Compound_680	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F	0.699	0.114	0.182	0.782	0.215	0.2	0.941	0.839	0.337	0.889	0.205
Compound_681	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.746	0.114	0.182	0.782	0.232	0.219	0.975	0.839	0.335	0.889	0.205
Compound_682	FC(C(C(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.76	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205
Compound_683	CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.999	0.121	0.63	0.732	0.578	0.073	0.994	0.824	0.462	1.0	0.901
Compound_684	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	0.994	0.135	0.605	0.695	0.442	0.057	0.999	0.523	0.223	1.0	0.855
Compound_685	CCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.999	0.121	0.63	0.732	0.638	0.218	1.0	0.824	0.462	1.0	0.901
Compound_686	CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.999	0.121	0.63	0.732	0.638	0.218	1.0	0.824	0.462	1.0	0.901
Compound_687	CCCCCCCCCCCCCCCCC(C(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)(F)F	0.999	0.121	0.63	0.732	0.72	0.248	1.0	0.824	0.462	1.0	0.901
Compound_688	CCCCCCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.983	0.131	0.653	0.707	0.887	0.1	1.0	0.766	0.544	1.0	0.915
Compound_689	CCCCCCCCCCCCCC/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	0.984	0.131	0.653	0.707	0.887	0.1	1.0	0.766	0.544	1.0	0.915
Compound_690	CCCCCCCCCCCCCC/C=C/C(C(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)(F)F	0.984	0.131	0.653	0.707	0.918	0.119	1.0	0.766	0.544	1.0	0.915
Compound_691	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCOC(=O)C(=C)C	0.414	0.25	0.243	0.824	0.565	0.241	0.914	0.987	0.396	0.978	0.694
Compound_692	CN(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)CCCCOC(=O)C(=C)C	0.529	0.25	0.243	0.824	0.656	0.39	0.979	0.987	0.395	0.978	0.694
Compound_693	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)CCCP(=O)(O)O	0.24	0.167	0.102	0.501	0.648	0.518	0.913	0.5	0.322	0.629	0.493
Compound_694	FC1(F)S(=O)(=O)C(C(C1(F)F)(F)F)(F)F	0.803	0.581	0.653	0.653	0.271	0.06	0.967	0.988	0.767	0.993	0.5
Compound_695	C=CCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.152	0.194	0.762	0.72	0.314	0.049	0.265	0.992	0.278	0.426	0.812
Compound_696	FC1(S(=O)(=O)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.868	0.45	0.618	0.583	0.199	0.072	0.986	0.86	0.622	0.996	0.523
Compound_697	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO	0.095	0.172	0.311	0.684	0.291	0.16	0.663	0.252	0.309	0.143	0.627
Compound_698	C=CCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.196	0.194	0.762	0.72	0.433	0.074	0.441	0.992	0.277	0.426	0.812
Compound_699	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.432	0.395	0.857	0.578	0.187	0.414	0.636	0.567	0.331	0.114	0.672
Compound_700	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.469	0.395	0.857	0.578	0.187	0.414	0.636	0.567	0.33	0.114	0.672
Compound_701	CCOC(=O)CN(S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.336	0.29	0.69	0.747	0.445	0.071	0.914	0.944	0.338	0.817	0.66
Compound_702	OCCCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.25	0.228	0.281	0.703	0.222	0.274	0.75	0.534	0.355	0.075	0.563
Compound_703	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.505	0.395	0.857	0.578	0.187	0.414	0.636	0.567	0.328	0.114	0.672
Compound_704	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F	0.738	0.172	0.095	0.431	0.244	0.074	0.838	0.116	0.309	0.324	0.911
Compound_705	CNS(=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	0.464	0.206	0.405	0.523	0.199	0.07	0.361	0.81	0.282	0.963	0.901
Compound_706	C=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	0.274	0.194	0.762	0.72	0.506	0.12	0.742	0.992	0.277	0.426	0.812
Compound_707	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCc1ccccc1)F	0.534	0.395	0.857	0.578	0.187	0.414	0.636	0.567	0.328	0.114	0.672
Compound_708	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(O)O	0.458	0.208	0.082	0.536	0.328	0.237	0.955	0.3	0.292	0.3	0.521
Compound_709	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	0.238	0.241	0.345	0.685	0.328	0.192	0.859	0.282	0.302	0.014	0.621
Compound_710	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	0.238	0.269	0.229	0.624	0.261	0.135	0.809	0.296	0.301	0.014	0.627
Compound_711	C=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)CC	0.275	0.215	0.476	0.748	0.6	0.186	0.977	0.973	0.283	0.986	0.766
Compound_712	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)CC	0.196	0.229	0.306	0.675	0.315	0.199	0.859	0.225	0.305	0.088	0.552
Compound_713	[O-]C(=O)CN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC[N+](C)(C)C	0.286	0.457	0.033	0.64	0.375	0.058	0.77	0.817	0.28	0.748	0.566
Compound_714	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.787	0.152	0.724	0.662	0.175	0.091	0.969	0.878	0.352	0.97	0.236
Compound_715	CN(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)C	0.118	0.353	0.002	0.392	0.182	0.14	0.221	0.506	0.33	0.244	0.656
Compound_716	CCCN(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)CCO	0.117	0.209	0.342	0.705	0.305	0.221	0.866	0.399	0.3	0.222	0.547
Compound_717	OCCCCN(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	0.281	0.228	0.281	0.703	0.264	0.338	0.845	0.534	0.355	0.075	0.563
Compound_718	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)CCO	0.192	0.172	0.311	0.684	0.37	0.287	0.759	0.252	0.31	0.143	0.627
Compound_719	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)CCO	0.192	0.21	0.203	0.623	0.298	0.207	0.793	0.27	0.317	0.143	0.636
Compound_720	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)NCc1ccccc1)F	0.534	0.395	0.857	0.578	0.22	0.471	0.721	0.567	0.33	0.114	0.672
Compound_721	CCCCN(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)CCO	0.187	0.251	0.366	0.723	0.283	0.259	0.831	0.484	0.333	0.185	0.541
Compound_722	CN(CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)O)C	0.243	0.398	0.004	0.412	0.412	0.383	0.862	0.573	0.386	0.54	0.484
Compound_723	C=CC(=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	0.513	0.254	0.498	0.859	0.85	0.412	0.988	0.996	0.365	0.942	0.678
Compound_724	CCOC(=O)CN(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)CC	0.38	0.29	0.69	0.747	0.5	0.106	0.963	0.944	0.338	0.817	0.66
Compound_725	OCCOCCOCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCN(C)C	0.278	0.42	0.013	0.287	0.401	0.341	0.744	0.433	0.341	0.146	0.534
Compound_726	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)C=C	0.436	0.271	0.454	0.849	0.844	0.417	0.988	0.994	0.359	0.974	0.66
Compound_727	[O-]N(C(N(C)[O-])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	0.112	0.27	0.344	0.648	0.35	0.292	0.372	0.775	0.302	0.278	0.632
Compound_728	CCCN(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)C=C	0.364	0.28	0.52	0.83	0.868	0.506	0.995	0.993	0.378	0.994	0.654
Compound_729	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)C(=C)C	0.349	0.25	0.229	0.795	0.717	0.219	0.996	0.973	0.403	0.973	0.675
Compound_730	C=CC(=O)OCCCCN(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	0.587	0.29	0.519	0.835	0.839	0.737	0.993	0.999	0.374	0.968	0.683
Compound_731	OCC[N+](CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)[O-])(C)C	0.182	0.47	0.02	0.637	0.329	0.342	0.768	0.143	0.387	0.071	0.548
Compound_732	CCCN(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)C(=C)C	0.295	0.27	0.259	0.806	0.745	0.235	0.99	0.977	0.408	0.985	0.661
Compound_733	CCCCN(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)C=C	0.439	0.284	0.545	0.833	0.877	0.547	0.988	0.995	0.387	0.996	0.652
Compound_734	CN(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)CCCCOC(=O)C(=C)C	0.529	0.25	0.243	0.824	0.694	0.436	0.987	0.987	0.396	0.978	0.694
Compound_735	CCCN(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)CCOP(=O)(O)O	0.368	0.198	0.096	0.526	0.364	0.279	0.937	0.286	0.335	0.605	0.52
Compound_736	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)Cc1ccc(cc1)C(=O)NCCN(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	0.273	0.433	0.246	0.492	0.251	0.871	0.557	0.907	0.415	0.045	0.353
Compound_737	CCCN(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)CCNC(=O)c1ccc(c(c1)C(=O)NCCN(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)C	0.253	0.456	0.282	0.492	0.169	0.642	0.131	0.85	0.394	0.097	0.378
Compound_738	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)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)CC)C	0.513	0.543	0.876	0.756	0.814	0.607	0.768	0.938	0.388	0.297	0.612
Compound_739	CCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC)O	0.43	0.218	0.084	0.543	0.463	0.303	0.974	0.3	0.35	0.749	0.53
Compound_740	CCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOP(=O)(OCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC)O	0.497	0.218	0.084	0.543	0.508	0.357	0.975	0.3	0.348	0.749	0.53
Compound_741	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)CCOP(=O)(OCCN(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)CC)O	0.526	0.218	0.084	0.543	0.52	0.368	0.976	0.3	0.349	0.749	0.53
Compound_742	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)CCOP(=O)(OCCN(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)CC)OCCN(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)CC	0.759	0.301	0.555	0.729	0.431	0.359	0.992	0.915	0.323	0.901	0.568
Compound_743	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)CCCP(=O)(O)O	0.24	0.167	0.102	0.501	0.671	0.545	0.886	0.5	0.328	0.629	0.493
Compound_744	CCOP(=O)(OCC)CCCN(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)CC	0.304	0.311	0.842	0.708	0.67	0.633	0.983	0.928	0.308	0.891	0.589
Compound_745	CCOP(=O)(OCC)CCCN(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)CC	0.304	0.311	0.842	0.708	0.695	0.651	0.979	0.928	0.309	0.891	0.589
Compound_746	OCCCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.159	0.228	0.281	0.703	0.2	0.192	0.74	0.534	0.355	0.075	0.563
Compound_747	CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO	0.101	0.209	0.342	0.705	0.26	0.172	0.78	0.399	0.298	0.222	0.547
Compound_748	[O-]C(=O)CN(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[N+](C)(C)C	0.315	0.457	0.033	0.64	0.48	0.093	0.924	0.817	0.282	0.748	0.566
Compound_749	CN(CCCN(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)C	0.268	0.398	0.004	0.412	0.5	0.443	0.928	0.573	0.386	0.54	0.484
Compound_750	FC(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)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	0.76	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205
Compound_751	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)S(=O)(=O)F)(C(F)(F)F)F	0.889	0.478	0.618	0.601	0.387	0.144	0.996	0.812	0.351	0.996	0.534
Compound_752	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)CCOP(=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)CC)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)CC	0.759	0.301	0.555	0.729	0.466	0.379	0.991	0.915	0.328	0.901	0.568
Compound_753	CC(F)F	0.904	0.111	0.428	0.597	0.124	0.013	0.913	0.99	0.87	1.0	0.759
Compound_754	FC(Cl)F	0.931	0.077	0.324	0.575	0.778	0.093	0.928	0.983	0.905	1.0	0.893
Compound_755	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.745	0.053	0.481	0.579	0.318	0.068	0.851	0.93	0.256	0.317	0.92
Compound_756	FC(C(C(F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.952	0.065	0.745	0.662	0.353	0.037	0.983	0.182	0.228	1.0	0.9
Compound_757	OC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F	0.854	0.021	0.528	0.599	0.444	0.099	0.19	0.99	0.32	0.435	0.912
Compound_758	FC1(COP(=O)(O)O)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.975	0.402	0.094	0.374	0.314	0.093	0.978	0.102	0.369	0.581	0.25
Compound_759	FC(=C(F)F)OC(C(C(F)(F)F)(Oc1c(F)c(F)c(c(c1F)F)F)F)(F)F	0.613	0.539	0.362	0.656	0.609	0.086	0.981	0.84	0.428	0.991	0.814
Compound_760	FP1Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C	0.628	0.592	0.707	0.639	0.649	0.568	0.433	0.78	0.917	0.999	0.611
Compound_761	OC(=O)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	0.895	0.113	0.183	0.645	0.877	0.261	0.998	0.632	0.209	0.895	0.96
Compound_762	FC(C(C(F)(F)F)(F)F)(COP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)F	0.873	0.28	0.8	0.651	0.347	0.097	0.99	0.924	0.229	0.998	0.744
Compound_763	FC1(COP(=O)(OCC2(F)C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)O)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.936	0.514	0.096	0.387	0.533	0.162	0.978	0.102	0.407	0.971	0.314
Compound_764	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(cc1)Cc1ccc(cc1)NC(=O)ON=C(CC)C	0.491	0.549	0.89	0.744	0.86	0.868	0.965	0.971	0.399	0.869	0.582
Compound_765	OC(=O)CN(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)C	0.431	0.168	0.012	0.27	0.401	0.027	0.803	0.55	0.099	0.004	0.314
Compound_766	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)CNCCC[N+](CCC(=O)O)(C)C	0.126	0.218	0.008	0.309	0.296	0.017	0.032	0.012	0.189	0.001	0.198
Compound_767	C[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)(C)C	0.118	0.393	0.037	0.609	0.212	0.145	0.154	0.521	0.309	0.349	0.586
Compound_768	CCOC(=O)NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCSS(=O)(=O)[O-]	0.189	0.138	0.431	0.591	0.377	0.438	0.418	0.914	0.225	0.216	0.561
Compound_769	OCC[N+](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)C	0.526	0.242	0.077	0.61	0.388	0.265	0.53	0.047	0.501	0.004	0.3
Compound_770	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1)F	0.905	0.358	0.735	0.69	0.477	0.563	0.953	0.605	0.207	0.14	0.348
Compound_771	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)[O-])Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.742	0.561	0.993	0.762	0.822	0.638	0.962	0.876	0.406	0.937	0.52
Compound_772	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)[O-])Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.711	0.561	0.993	0.762	0.822	0.638	0.962	0.876	0.406	0.937	0.52
Compound_773	[O-]C(=O)C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.971	0.025	0.515	0.679	0.538	0.059	0.999	0.825	0.183	0.974	0.988
Compound_774	[O-]S(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.81	0.11	0.515	0.679	0.124	0.064	0.99	0.825	0.259	1.0	0.595
Compound_775	OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.921	0.032	0.157	0.652	0.584	0.061	0.998	0.83	0.124	0.521	0.962
Compound_776	[O-]S(=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	0.81	0.11	0.515	0.679	0.195	0.091	0.995	0.825	0.262	1.0	0.595
Compound_777	FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.06	0.393	0.037	0.609	0.158	0.071	0.075	0.521	0.308	0.349	0.586
Compound_778	FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.077	0.393	0.037	0.609	0.168	0.084	0.075	0.521	0.308	0.349	0.586
Compound_779	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.101	0.393	0.037	0.609	0.177	0.11	0.108	0.521	0.307	0.349	0.586
Compound_780	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NCCC[N+](C)(C)C)F	0.118	0.393	0.037	0.609	0.184	0.121	0.106	0.521	0.308	0.349	0.586
Compound_781	FC(C(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.83	0.12	0.55	0.744	0.173	0.096	0.995	0.224	0.337	0.997	0.251
Compound_782	FC1(S(=O)(=O)[O-])C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.784	0.449	0.514	0.602	0.121	0.082	0.986	0.929	0.393	0.988	0.151
Compound_783	FC(C(C1(S(=O)(=O)[O-])C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F	0.841	0.469	0.827	0.667	0.181	0.11	0.996	0.651	0.377	0.988	0.165
Compound_784	FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F	0.818	0.124	0.408	0.624	0.162	0.083	0.992	0.279	0.375	0.997	0.266
Compound_785	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_786	CCCN(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)CC(=O)[O-]	0.256	0.29	0.218	0.683	0.44	0.07	0.898	0.959	0.302	0.668	0.677
Compound_787	CN(=O)(CCC[N-]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	0.285	0.44	0.183	0.692	0.27	0.375	0.916	0.939	0.276	0.36	0.6
Compound_788	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)[O-])Cl)Cl)Nc1cccc(c1)OS(=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	0.711	0.561	0.993	0.762	0.822	0.638	0.962	0.876	0.406	0.937	0.52
Compound_789	O=C(c1c(Cl)c(Cl)c(c(c1C(=O)[O-])Cl)Cl)Nc1cccc(c1)OS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.715	0.561	0.993	0.762	0.822	0.638	0.962	0.876	0.406	0.937	0.52
Compound_790	[O-]S(=O)(=O)c1ccccc1CNS(=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	0.574	0.484	0.683	0.551	0.524	0.543	0.758	0.874	0.364	0.058	0.295
Compound_791	O=S(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.482	0.484	0.683	0.551	0.495	0.521	0.68	0.874	0.364	0.058	0.295
Compound_792	O=S(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.524	0.484	0.683	0.551	0.495	0.521	0.68	0.874	0.363	0.058	0.295
Compound_793	O=S(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.548	0.484	0.683	0.551	0.495	0.521	0.68	0.874	0.363	0.058	0.295
Compound_794	O=S(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCc1ccccc1S(=O)(=O)[O-]	0.574	0.484	0.683	0.551	0.495	0.521	0.68	0.874	0.363	0.058	0.295
Compound_795	FC1(F)C(F)(F)C(C(F)(F)F)(S(=O)(=O)[O-])C(C(C1(F)F)(F)F)(F)F	0.841	0.469	0.706	0.656	0.115	0.079	0.992	0.675	0.394	0.988	0.165
Compound_796	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(C(F)(F)F)S(=O)(=O)[O-])(F)F)(F)F)(F)F	0.844	0.469	0.598	0.604	0.233	0.133	0.991	0.647	0.395	0.988	0.165
Compound_797	FC(C(C(F)(F)F)(c1ccc(cc1)[O-])c1ccc(cc1)[O-])(F)F	0.932	0.662	0.899	0.7	0.972	0.915	0.996	0.833	0.544	0.953	0.992
Compound_798	OCC[N+](CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)[O-])O)(C)C	0.172	0.4	0.011	0.649	0.323	0.317	0.773	0.157	0.383	0.07	0.544
Compound_799	FC1(COP(=O)(OP(=O)(OCC2(F)C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)O)O)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.936	0.531	0.096	0.382	0.533	0.359	0.978	0.102	0.407	0.754	0.237
Compound_800	COc1ccc(cc1N)C	0.542	0.231	0.99	0.595	0.064	0.098	0.971	0.142	0.869	0.886	0.704
Compound_801	CCOc1ccc(cc1)N	0.699	0.219	0.958	0.696	0.457	0.859	0.898	0.879	0.734	0.674	0.761
Compound_802	CCOc1ccccc1N	0.47	0.306	0.992	0.601	0.12	0.085	0.93	0.91	0.597	0.724	0.778
Compound_803	C[N+](c1ccccc1)(C)C	0.965	0.475	0.362	0.464	0.145	0.195	0.979	0.486	0.178	0.586	0.276
Compound_804	CCC=CCCOCCC#N	0.845	0.157	0.081	0.551	0.48	0.085	0.995	0.837	0.685	0.989	0.878
Compound_805	O=C1NCC2(C1)CCCCC2	0.188	0.417	0.044	0.254	0.019	0.095	0.009	0.166	0.477	0.003	0.138
Compound_806	CN(CC1CCCCC1=O)C	0.725	0.255	0.011	0.157	0.01	0.07	0.002	0.044	0.146	0.363	0.098
Compound_807	Cc1ccc2c(c1)C(=O)C(C2)C	0.65	0.375	0.71	0.492	0.045	0.43	0.108	0.097	0.889	0.972	0.702
Compound_808	OCCOCCOCCOCC	0.628	0.118	0.285	0.488	0.122	0.214	0.252	0.151	0.208	0.895	0.629
Compound_809	CN(C12CC3CC(C2)CC(C1)C3)C	0.94	0.403	0.047	0.266	0.078	0.668	0.03	0.806	0.316	0.077	0.401
Compound_810	C1CCC(CC1)NC1CCCCC1	0.101	0.175	0.054	0.32	0.064	0.282	0.002	0.04	0.427	0.903	0.049
Compound_811	CCOc1ccc(cc1)N(C(=O)C)C	0.267	0.589	0.817	0.655	0.358	0.653	0.109	0.614	0.594	0.084	0.27
Compound_812	CCNC(Cc1ccc(cc1)OC)C	0.016	0.172	0.125	0.319	0.012	0.41	0.001	0.006	0.192	0.453	0.101
Compound_813	CCCCCCCCN1CCCC1=O	0.864	0.423	0.294	0.524	0.021	0.167	0.193	0.092	0.723	0.944	0.546
Compound_814	OCCN1C(C)(C)CC(CC1(C)C)O	0.228	0.425	0.093	0.135	0.007	0.06	0.001	0.074	0.106	0.049	0.112
Compound_815	CCNCC(=O)Nc1c(C)cccc1C	0.036	0.387	0.061	0.259	0.021	0.009	0.0	0.002	0.399	0.158	0.163
Compound_816	C=CC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C	0.999	0.674	0.068	0.574	0.942	0.361	0.096	0.997	0.832	1.0	0.439
Compound_817	CCCCC(COP(=O)([O-])[O-])CC	0.966	0.071	0.195	0.574	0.07	0.044	0.996	0.211	0.543	0.99	0.811
Compound_818	N=C(Nc1ccccc1)Nc1ccccc1	0.766	0.75	0.357	0.419	0.517	0.976	0.684	0.981	0.799	0.917	0.677
Compound_819	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N	0.018	0.186	0.002	0.133	0.394	0.031	0.009	0.011	0.047	0.01	0.087
Compound_820	OC(=O)CCC(=O)OCCOC(=O)C=C	0.917	0.231	0.274	0.313	0.853	0.865	0.991	0.966	0.683	0.981	0.735
Compound_821	COc1cc2CC(=O)NC=Cc2cc1OC	0.273	0.513	0.407	0.44	0.095	0.266	0.002	0.247	0.511	0.08	0.144
Compound_822	O=C=NCC1(C)CC(N=C=O)CC(C1)(C)C	0.906	0.384	0.552	0.547	0.068	0.426	0.035	0.512	0.698	0.474	0.456
Compound_823	CC(CC(C)(C)C)Cc1cc(C)cc(=O)o1	0.813	0.401	0.066	0.439	0.363	0.275	0.846	0.316	0.59	0.968	0.576
Compound_824	CC(=C)C(=O)OC1CC2C(C1(C)CC2)(C)C	0.992	0.754	0.017	0.468	0.848	0.151	0.079	0.799	0.801	1.0	0.757
Compound_825	CCCCC(C1OCCN1CCCC)CC	0.162	0.494	0.108	0.167	0.016	0.11	0.019	0.171	0.385	0.935	0.354
Compound_826	CCC(C(C(CCc1ccc(cc1)O)C)C)C	0.93	0.194	0.332	0.571	0.699	0.844	0.807	0.785	0.719	0.939	0.618
Compound_827	CC(=CCCC1=CCC(C(C1)(C)C(=O)C)C)C	0.966	0.193	0.535	0.629	0.252	0.067	0.113	0.663	0.478	1.0	0.797
Compound_828	CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C	0.988	0.605	0.433	0.574	0.448	0.415	0.057	0.55	0.492	1.0	0.444
Compound_829	CC(=CCCC1=CCC(C(C1)C)(C)C(=O)C)C	0.973	0.193	0.535	0.633	0.252	0.067	0.113	0.699	0.445	1.0	0.797
Compound_830	CCCCC(COC(=O)c1ccccc1O)CC	0.749	0.378	0.047	0.612	0.392	0.141	0.126	0.034	0.161	0.847	0.703
Compound_831	CCCCCCCCOc1ccccc1C(=O)O	0.655	0.381	0.175	0.297	0.278	0.061	0.118	0.288	0.638	0.877	0.786
Compound_832	CCCCCCCCCCCC(=O)N(CC(=O)O)C	0.341	0.082	0.019	0.155	0.058	0.034	0.017	0.049	0.272	0.038	0.167
Compound_833	O=C1CC[C@H]2C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.979	1.0	0.044	0.775	0.964	0.956	0.021	0.998	0.067	0.99	0.128
Compound_834	COC(=O)c1ccc(cc1C1=NC(=O)C(N1)(C)C(C)C)C	0.315	0.29	0.833	0.6	0.01	0.247	0.269	0.046	0.49	0.011	0.174
Compound_835	O=C1CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=C1CCC1(C2)OCCO1	0.933	0.946	0.126	0.595	0.899	0.829	0.085	0.899	0.264	0.994	0.094
Compound_836	CCOC(=O)CC(OOC(CC)(C)C)(OOC(CC)(C)C)C	0.684	0.049	0.077	0.645	0.186	0.095	0.991	0.312	0.41	0.906	0.708
Compound_837	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]([C@H](C1)N=N#N)NC(=O)C	0.505	0.506	0.183	0.432	0.11	0.214	0.048	0.908	0.346	0.675	0.307
Compound_838	OCCCCCCCCCC(=O)c1c(C)cc(c(c1O)OC)OC	0.816	0.37	0.144	0.64	0.748	0.453	0.807	0.151	0.173	0.122	0.581
Compound_839	CCCCOCCOCCOCc1cc2OCOc2cc1CCC	0.726	0.402	0.717	0.595	0.381	0.287	0.991	0.079	0.462	1.0	0.911
Compound_840	OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.651	0.288	0.045	0.401	0.064	0.237	0.03	0.081	0.136	0.688	0.031
Compound_841	CN(c1ccc(cc1)C(c1ccc(c2c1cccc2)Nc1ccccc1)(c1ccc(cc1)N(C)C)O)C	0.664	0.652	0.935	0.508	0.95	0.92	0.935	0.899	0.667	0.776	0.983
Compound_842	OC(=O)C(c1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)(C)C	0.013	0.501	0.238	0.121	0.618	0.868	0.271	0.064	0.103	0.024	0.137
Compound_843	COC(=O)[C@H](O)C	0.452	0.051	0.045	0.524	0.04	0.035	0.87	0.761	0.236	0.084	0.518
Compound_844	CCOC(=O)OC	0.716	0.017	0.741	0.542	0.041	0.022	0.962	0.191	0.511	0.818	0.355
Compound_845	COCC(OC(=O)C)C	0.8	0.015	0.333	0.536	0.096	0.03	0.99	0.24	0.815	0.573	0.647
Compound_846	CCOCCOC(=O)C	0.826	0.043	0.48	0.636	0.072	0.026	0.97	0.093	0.61	0.957	0.79
Compound_847	CCCOC(=O)[C@@H](O)C	0.559	0.034	0.083	0.656	0.047	0.055	0.87	0.439	0.202	0.107	0.412
Compound_848	COC(COC(=O)C)C	0.803	0.02	0.248	0.567	0.096	0.03	0.99	0.188	0.866	0.544	0.681
Compound_849	CCCCOC(=O)CO	0.736	0.051	0.054	0.693	0.051	0.098	0.949	0.21	0.646	0.772	0.539
Compound_850	C=CC(=O)NC(CC(=O)C)(C)C	0.296	0.042	0.078	0.434	0.049	0.061	0.081	0.903	0.413	0.913	0.462
Compound_851	OCC1COC(O1)(C)CC(C)C	0.643	0.309	0.233	0.457	0.102	0.127	0.605	0.131	0.333	0.551	0.5
Compound_852	O=C(C(C)(C)C)OOC(C)(C)C	0.808	0.049	0.146	0.49	0.138	0.042	0.74	0.879	0.291	0.889	0.724
Compound_853	OC(=O)CCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_854	CCCC(C(=O)O)(C(=O)O)CCC	0.67	0.052	0.14	0.265	0.175	0.051	0.586	0.189	0.223	0.255	0.379
Compound_855	CO[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)C	0.774	0.214	0.294	0.497	0.081	0.142	0.991	0.772	0.21	0.755	0.691
Compound_856	OC(=O)CCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_857	C(COCC1OC1)CCOCC1OC1	0.923	0.234	0.14	0.645	0.892	0.142	0.965	0.863	0.886	0.993	0.946
Compound_858	CC(OC(=O)CCC(=O)OC(C)C)C	0.778	0.017	0.214	0.526	0.117	0.056	0.986	0.224	0.73	0.412	0.745
Compound_859	CC(C(=O)OCCOc1ccccc1)C	0.28	0.176	0.731	0.73	0.359	0.041	0.528	0.394	0.319	0.57	0.044
Compound_860	COCCc1ccc(cc1)OCC1OC1	0.143	0.322	0.693	0.716	0.712	0.671	0.86	0.928	0.668	0.937	0.5
Compound_861	CCOC(=O)[C@@H](CCc1ccccc1)O	0.511	0.137	0.099	0.662	0.049	0.048	0.326	0.552	0.179	0.301	0.053
Compound_862	C=CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)[NH3+]	0.072	0.235	0.295	0.417	0.607	0.073	0.006	0.986	0.045	0.803	0.177
Compound_863	COC(=O)CCCCCCCCC(=O)OC	0.912	0.002	0.296	0.58	0.057	0.013	0.985	0.948	0.196	0.913	0.84
Compound_864	C(CCOCC1OC1)CCCOCC1OC1	0.934	0.234	0.153	0.673	0.889	0.132	0.965	0.904	0.834	0.993	0.946
Compound_865	CCCCOCCOCCOC(=O)C(=C)C	0.979	0.155	0.077	0.747	0.547	0.102	0.992	0.884	0.844	1.0	0.92
Compound_866	CC(=O)OCCOCCOCCOC(=O)C	0.801	0.011	0.24	0.636	0.156	0.059	0.912	0.166	0.92	0.991	0.881
Compound_867	CCC(OOC(=O)CC(CC(C)(C)C)C)(C)C	0.867	0.036	0.019	0.362	0.126	0.044	0.594	0.653	0.431	0.9	0.647
Compound_868	C=CCOC(=O)c1ccccc1C(=O)OCC=C	0.856	0.223	0.963	0.689	0.063	0.065	0.995	0.898	0.371	0.993	0.756
Compound_869	N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F	0.469	0.61	0.915	0.646	0.632	0.664	0.211	0.285	0.688	0.675	0.918
Compound_870	O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2	0.765	0.432	0.039	0.587	0.939	0.218	0.908	0.823	0.469	0.995	0.87
Compound_871	CCCCOC(=O)CCCCC(=O)OCCCC	0.669	0.005	0.251	0.736	0.061	0.035	0.958	0.649	0.412	0.998	0.905
Compound_872	CCCC(C(C(=O)OCC)(C(=O)OCC)CC)C	0.85	0.013	0.218	0.589	0.127	0.059	0.902	0.439	0.368	0.961	0.905
Compound_873	CCCCC(COC(=O)OOC(CC)(C)C)CC	0.801	0.02	0.012	0.558	0.138	0.102	0.977	0.118	0.619	0.976	0.5
Compound_874	CCCCCCOC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.236	0.175	0.017	0.517	0.072	0.122	0.151	0.126	0.708	0.745	0.072
Compound_875	CCCCCCCC(=O)c1ccc(c(c1)C(=O)O)O	0.804	0.364	0.093	0.379	0.061	0.251	0.176	0.174	0.536	0.845	0.705
Compound_876	COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC	0.559	0.282	0.71	0.321	0.193	0.499	0.666	0.008	0.504	0.082	0.072
Compound_877	O=C(C1(CCCCC(C)(C)C)OO1)OC(CC(C)(C)C)(C)C	0.866	0.265	0.038	0.512	0.38	0.243	0.995	0.852	0.238	0.902	0.793
Compound_878	O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C	0.975	1.0	0.035	0.831	0.798	0.865	0.02	0.831	0.044	0.413	0.062
Compound_879	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)O)C)C	0.958	1.0	0.049	0.482	0.924	0.863	0.027	0.806	0.013	0.935	0.058
Compound_880	O[C@H]1CC[C@]2([C@](C1)(O)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1C2=O)C)C	0.9	0.951	0.083	0.692	0.964	0.847	0.002	0.77	0.256	0.966	0.331
Compound_881	O[C@H]1CC[C@]2(C(=C[C@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3[C@@H](O)CC2=O)C)O)C1)C	0.962	1.0	0.02	0.709	0.98	0.933	0.003	0.706	0.051	0.976	0.111
Compound_882	C1=CCC(CC1)C1OCC2(CO1)COC(OC2)C1CCC=CC1	0.852	0.438	0.342	0.637	0.648	0.756	0.987	0.967	0.654	0.961	0.879
Compound_883	CCCCCCCCCc1ccc(cc1)OCCOCC(=O)O	0.425	0.228	0.082	0.412	0.368	0.244	0.987	0.718	0.409	0.904	0.221
Compound_884	CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)N	0.018	0.767	0.002	0.292	0.219	0.316	0.001	0.08	0.194	0.027	0.197
Compound_885	CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N	0.019	0.79	0.0	0.157	0.168	0.275	0.001	0.009	0.138	0.131	0.119
Compound_886	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@@H]([C@H]2O)NC)[C@@H]2[C@H]([C@H]1O)OC1(O2)O[C@H]([C@H](CO)N)[C@@H]([C@H]([C@H]1O)O)O	0.043	0.664	0.001	0.302	0.195	0.298	0.001	0.141	0.249	0.213	0.5
Compound_887	OC[C@H]1N(C)C[C@@H]([C@H]([C@@H]1O)O)O	0.104	0.278	0.025	0.066	0.008	0.03	0.002	0.062	0.098	0.025	0.013
Compound_888	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@H]1[C@H](O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)[C@@H](N)C[C@H]([C@@H]1O)N	0.064	0.814	0.005	0.157	0.182	0.429	0.001	0.01	0.059	0.11	0.105
Compound_889	NCC1=CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N	0.041	0.829	0.002	0.178	0.304	0.364	0.001	0.193	0.153	0.021	0.054
Compound_890	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)N(N=O)C	0.053	0.26	0.027	0.185	0.04	0.257	0.001	0.127	0.373	0.01	0.317
Compound_891	OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](C[C@H]([C@H]3O[C@H]([C@@H]([C@@H]3O)O)n3ccc(=O)[nH]c3=O)O)[C@@H]([C@@H]([C@H]2NC(=O)/C=C/CCCCCCCCC(C)C)O)O)[C@H]([C@@H]([C@H]1O)O)NC(=O)C	0.671	0.529	0.005	0.41	0.698	0.643	0.027	0.374	0.396	0.201	0.857
Compound_892	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O)N)[C@@H]([C@H]([C@@H]1O)O)N	0.037	0.776	0.004	0.196	0.114	0.239	0.0	0.019	0.097	0.031	0.041
Compound_893	NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N	0.015	0.83	0.001	0.174	0.168	0.275	0.001	0.009	0.119	0.007	0.055
Compound_894	OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O	0.038	0.864	0.004	0.183	0.229	0.463	0.001	0.009	0.058	0.066	0.087
Compound_895	NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1ccccc1)CCC2)C(C)C)CCCN)C(C)C	0.85	0.58	0.08	0.347	0.156	0.898	0.974	0.023	0.415	0.124	0.918
Compound_896	NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)N)N	0.037	0.866	0.002	0.158	0.229	0.463	0.001	0.005	0.054	0.098	0.077
Compound_897	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H](C[C@H]1N)O)N	0.071	0.824	0.0	0.192	0.6	0.606	0.001	0.006	0.19	0.194	0.116
Compound_898	OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O	0.037	0.834	0.005	0.235	0.229	0.463	0.001	0.03	0.102	0.087	0.112
Compound_899	CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C	0.069	0.597	0.001	0.26	0.131	0.234	0.002	0.016	0.188	0.023	0.102
Compound_900	CN[C@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H](CC[C@H]2N)[C@@H](N)C)[C@H]([C@@H]([C@@H]1OC)O)N	0.027	0.637	0.001	0.243	0.13	0.174	0.001	0.185	0.116	0.009	0.126
Compound_901	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)CO)[C@H]([C@@H]([C@H]1O)O)NC	0.117	0.557	0.003	0.354	0.251	0.656	0.001	0.39	0.109	0.046	0.147
Compound_902	NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)CO)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O	0.053	0.724	0.003	0.305	0.128	0.358	0.002	0.006	0.144	0.068	0.072
Compound_903	NCC(C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O	0.09	0.919	0.001	0.712	0.12	0.378	0.0	0.005	0.335	0.006	0.03
Compound_904	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)NC	0.078	0.547	0.01	0.264	0.525	0.64	0.002	0.021	0.282	0.022	0.123
Compound_905	CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CC[C@H]1N)C(N)C)N	0.018	0.78	0.001	0.261	0.177	0.253	0.001	0.049	0.16	0.028	0.25
Compound_906	C/C(=C/COC(C(=O)O)COP(=O)(OC1OC(C(=O)N)C(C(C1OC1OC(C)C(C(C1NC(=O)C)O)OC1OC(C)C(C(C1NC(=O)C)O)OC1OC(C(=O)NC2=C(O)CCC2=O)C(C(C1O)O)O)OC(=O)N)O)O)/CC/C=C/C(CCC(=C)C/C=C(/CCC=C(C)C)\C)(C)C	0.699	0.719	0.004	0.502	0.813	0.662	0.053	0.247	0.354	0.874	0.5
Compound_907	NCCC(C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)CC[C@H]1N)O	0.095	0.774	0.001	0.328	0.157	0.387	0.001	0.004	0.129	0.094	0.058
Compound_908	NCC[C@H]([C@@H](CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)C(=CNC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CO)CO)[C@H]1CCN=C(N1)N)N)O	0.356	0.348	0.0	0.291	0.513	0.664	0.013	0.005	0.345	0.011	0.528
Compound_909	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC	0.184	0.6	0.0	0.259	0.262	0.58	0.004	0.018	0.135	0.033	0.237
Compound_910	CO[C@]1(NC(=O)[C@H](NC(=O)CC[C@H](C(=O)O)N)C)CN(C1=O)S(=O)(=O)O	0.064	0.353	0.013	0.292	0.237	0.436	0.002	0.008	0.393	0.007	0.51
Compound_911	NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O	0.409	0.278	0.005	0.204	0.237	0.483	0.031	0.145	0.359	0.005	0.572
Compound_912	N#CCSCC(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C	0.103	0.366	0.006	0.058	0.108	0.282	0.002	0.666	0.057	0.026	0.385
Compound_913	CO[C@@]1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C	0.56	0.436	0.014	0.093	0.272	0.478	0.382	0.492	0.061	0.169	0.379
Compound_914	ON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=C	0.484	0.117	0.124	0.09	0.124	0.098	0.005	0.971	0.136	0.004	0.087
Compound_915	C/C=C/C1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N	0.158	0.245	0.034	0.112	0.447	0.138	0.001	0.951	0.042	0.524	0.087
Compound_916	CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C	0.053	0.325	0.018	0.07	0.649	0.569	0.006	0.416	0.154	0.007	0.314
Compound_917	CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O	0.555	0.137	0.048	0.117	0.117	0.098	0.004	0.741	0.029	0.007	0.1
Compound_918	OCCn1nnnc1SCC1=C(C(=O)O)N2[C@H](OC1)[C@](C2=O)(OC)NC(=O)CSC(F)F	0.505	0.466	0.007	0.262	0.238	0.376	0.237	0.744	0.058	0.026	0.327
Compound_919	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C=Cc1scnc1C	0.762	0.338	0.187	0.351	0.158	0.261	0.005	0.952	0.201	0.214	0.348
Compound_920	COCC1=C(C(=O)OC(OC(=O)OC(C)C)C)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NOC)c1csc(n1)N	0.952	0.338	0.196	0.179	0.116	0.15	0.003	0.579	0.339	0.05	0.594
Compound_921	CC/C=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)COC(=O)N	0.71	0.195	0.032	0.239	0.142	0.098	0.002	0.967	0.249	0.492	0.449
Compound_922	CON=C(c1ccco1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(OC(=O)C)C)COC(=O)N	0.531	0.258	0.176	0.227	0.318	0.551	0.034	0.416	0.351	0.546	0.407
Compound_923	O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CS(=O)(=O)O	0.162	0.405	0.017	0.051	0.345	0.538	0.016	0.03	0.179	0.073	0.57
Compound_924	CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccn2c1cccn2	0.593	0.127	0.01	0.217	0.328	0.098	0.012	0.393	0.225	0.008	0.321
Compound_925	Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1cnc(cc1O)C	0.257	0.403	0.913	0.149	0.447	0.513	0.043	0.889	0.06	0.516	0.277
Compound_926	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nncs1)Cn1cnnn1	0.231	0.355	0.039	0.186	0.511	0.532	0.006	0.385	0.089	0.211	0.184
Compound_927	CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)[C@@H](O)C	0.215	0.398	0.013	0.119	0.265	0.45	0.004	0.544	0.15	0.253	0.377
Compound_928	CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cnns1)/c1csc(n1)N	0.557	0.218	0.023	0.198	0.615	0.576	0.009	0.513	0.029	0.026	0.354
Compound_929	CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N	0.102	0.147	0.007	0.081	0.43	0.129	0.001	0.246	0.057	0.82	0.121
Compound_930	NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O	0.053	0.324	0.041	0.042	0.205	0.323	0.015	0.11	0.018	0.073	0.186
Compound_931	CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=Cc1scnc1C)c1csc(n1)N	0.659	0.298	0.054	0.226	0.17	0.244	0.003	0.861	0.037	0.009	0.127
Compound_932	CC/C=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N	0.615	0.205	0.027	0.118	0.144	0.107	0.001	0.762	0.085	0.347	0.268
Compound_933	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C	0.742	0.278	0.077	0.219	0.093	0.115	0.002	0.838	0.193	0.075	0.327
Compound_934	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cnn[nH]1	0.133	0.352	0.006	0.127	0.72	0.59	0.017	0.32	0.035	0.11	0.243
Compound_935	COC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](C1=CCC=CC1)N	0.349	0.211	0.072	0.192	0.66	0.153	0.002	0.752	0.081	0.21	0.119
Compound_936	O=C([C@@H](c1ccccc1)NC(=O)c1[nH]cnc1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)CCS(=O)(=O)O	0.391	0.358	0.456	0.234	0.5	0.651	0.055	0.32	0.384	0.292	0.555
Compound_937	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)Cc1ccccc1	0.091	0.187	0.014	0.113	0.415	0.117	0.001	0.254	0.138	0.966	0.087
Compound_938	OCCn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC)/c1csc(n1)N	0.625	0.358	0.003	0.178	0.373	0.399	0.032	0.455	0.058	0.045	0.226
Compound_939	CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)\c1csc(n1)N	0.587	0.34	0.058	0.097	0.292	0.375	0.008	0.43	0.029	0.024	0.242
Compound_940	Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)N	0.201	0.275	0.029	0.159	0.649	0.508	0.071	0.485	0.114	0.155	0.2
Compound_941	O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N\OC)/c2csc(n2)N)n[nH]c(=O)c1=O	0.707	0.189	0.022	0.157	0.458	0.654	0.001	0.605	0.169	0.015	0.185
Compound_942	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)Cn1nnc(n1)C	0.703	0.318	0.169	0.256	0.288	0.407	0.012	0.885	0.193	0.347	0.4
Compound_943	COCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)C(=NO)c1csc(n1)N	0.64	0.218	0.045	0.045	0.101	0.101	0.006	0.502	0.165	0.028	0.177
Compound_944	CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)c1c(C)onc1c1ccccc1Cl	0.268	0.485	0.211	0.355	0.812	0.507	0.096	0.945	0.127	0.842	0.196
Compound_945	O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C	0.198	0.305	0.01	0.151	0.5	0.453	0.053	0.443	0.201	0.096	0.188
Compound_946	CN(CCn1nnnc1SCC1=C(C(=O)OC(OC(=O)OC2CCCCC2)C)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C	0.569	0.478	0.007	0.191	0.265	0.456	0.037	0.701	0.272	0.883	0.604
Compound_947	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)Cc1ccc(cc1)C1=NCCCN1	0.177	0.209	0.007	0.128	0.346	0.667	0.131	0.27	0.07	0.145	0.105
Compound_948	FCON=C(c1nsc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C	0.482	0.288	0.023	0.296	0.339	0.32	0.002	0.67	0.092	0.087	0.511
Compound_949	CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)c1ccco1	0.333	0.288	0.01	0.102	0.283	0.482	0.01	0.481	0.28	0.776	0.198
Compound_950	O=C([C@@H](c1cccc(c1)NS(=O)(=O)C)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C	0.167	0.314	0.039	0.33	0.509	0.211	0.007	0.399	0.302	0.229	0.349
Compound_951	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1ncn[nH]1)Cc1cccs1	0.186	0.346	0.044	0.347	0.374	0.567	0.027	0.562	0.169	0.13	0.143
Compound_952	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)CCCC(C(=O)O)N	0.144	0.288	0.003	0.183	0.58	0.142	0.0	0.067	0.251	0.346	0.11
Compound_953	O=C([C@@H](c1ccccc1)OC(=O)[C@@H](N)C)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCc1oc(=O)oc1C)CSc1nnc(s1)C	0.479	0.385	0.114	0.284	0.519	0.499	0.372	0.732	0.353	0.245	0.592
Compound_954	N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C	0.125	0.328	0.027	0.235	0.343	0.172	0.003	0.73	0.183	0.664	0.328
Compound_955	O=C1NCCC1O/N=C(/c1cnc(s1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1	0.426	0.298	0.086	0.182	0.242	0.421	0.041	0.268	0.063	0.012	0.17
Compound_956	N#CC=CSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C	0.103	0.295	0.006	0.114	0.294	0.261	0.002	0.881	0.098	0.135	0.339
Compound_957	O=C([C@@H](c1ccc(c(c1)Cl)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C	0.089	0.197	0.016	0.163	0.709	0.338	0.001	0.421	0.073	0.71	0.116
Compound_958	CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(OC(=O)C(OC)(C)C)C)COC(=O)N)c1ccco1	0.533	0.298	0.052	0.231	0.291	0.545	0.054	0.41	0.357	0.612	0.438
Compound_959	CO/N=C(\c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N	0.414	0.348	0.009	0.162	0.319	0.356	0.001	0.092	0.184	0.038	0.416
Compound_960	COC(=Cc1ccc(cc1)O)C(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@](C2=O)(OC)NC(=O)CCC[C@H](C(=O)O)N	0.47	0.332	0.011	0.339	0.427	0.257	0.001	0.217	0.317	0.06	0.14
Compound_961	COC(=Cc1ccc(cc1)OS(=O)(=O)O)C(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@](C2=O)(OC)NC(=O)CCC[C@H](C(=O)O)N	0.481	0.392	0.015	0.375	0.437	0.492	0.001	0.246	0.337	0.234	0.546
Compound_962	OC(=O)C(c1ccc(c(c1)O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O	0.636	0.339	0.075	0.177	0.304	0.395	0.015	0.961	0.167	0.008	0.194
Compound_963	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1S(=O)CC(=C2C(=O)O)COC(=O)C	0.724	0.268	0.049	0.159	0.283	0.255	0.002	0.208	0.073	0.061	0.296
Compound_964	O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.044	0.164	-0.0	0.061	0.186	0.068	0.007	0.014	0.085	0.043	0.064
Compound_965	C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O	0.523	0.401	0.024	0.442	0.357	0.62	0.007	0.065	0.298	0.006	0.087
Compound_966	C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)S[C@H]1CCN(C1)C(=N)C)O	0.432	0.516	0.011	0.306	0.184	0.307	0.068	0.136	0.311	0.297	0.229
Compound_967	CNC(=O)C[C@H](C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)N	0.119	0.442	0.003	0.107	0.329	0.102	0.007	0.08	0.173	0.044	0.121
Compound_968	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1	0.042	0.457	0.002	0.578	0.492	0.193	0.021	0.041	0.305	0.008	0.095
Compound_969	O=C(C(C(=O)Oc1ccccc1)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.155	0.393	0.001	0.239	0.45	0.154	0.449	0.072	0.124	0.11	0.098
Compound_970	O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C	0.337	0.449	0.004	0.17	0.223	0.095	0.054	0.684	0.353	0.521	0.588
Compound_971	NC(=O)OCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C	0.393	0.42	0.026	0.134	0.46	0.154	0.128	0.268	0.097	0.478	0.226
Compound_972	N[C@H](C1=CCC=CC1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.156	0.275	0.001	0.215	0.451	0.06	0.02	0.736	0.075	0.037	0.107
Compound_973	C=N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.062	0.153	0.001	0.077	0.149	0.045	0.027	0.01	0.053	0.03	0.114
Compound_974	O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.162	0.253	-0.0	0.08	0.197	0.289	0.013	0.144	0.275	0.182	0.478
Compound_975	O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)CCC[C@H](C(=O)O)N	0.059	0.268	-0.0	0.129	0.301	0.054	0.002	0.01	0.271	0.002	0.116
Compound_976	O=C(C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.306	0.465	0.002	0.233	0.638	0.257	0.364	0.332	0.109	0.136	0.087
Compound_977	C=CCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.054	0.283	0.001	0.141	0.671	0.039	0.007	0.794	0.143	0.339	0.199
Compound_978	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1nc2ccccc2nc1C(=O)O	0.319	0.351	0.002	0.232	0.584	0.359	0.008	0.211	0.139	0.041	0.1
Compound_979	COC(c1ccc(c(c1)Cl)Cl)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.069	0.377	0.002	0.2	0.214	0.263	0.038	0.33	0.253	0.587	0.128
Compound_980	CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc1ccccc1	0.145	0.364	0.005	0.202	0.136	0.075	0.022	0.772	0.272	0.107	0.257
Compound_981	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N1C(=O)C(NC1(C)C)c1ccccc1	0.151	0.258	0.007	0.215	0.299	0.122	0.034	0.019	0.145	0.508	0.084
Compound_982	O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc1ccc(cc1)O	0.049	0.263	0.0	0.104	0.314	0.07	0.005	0.19	0.06	0.013	0.065
Compound_983	O=C(C(Oc1ccccc1)(C)C)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.089	0.28	0.001	0.121	0.213	0.068	0.011	0.033	0.099	0.115	0.074
Compound_984	O=C([C@@H](c1ccc(cc1)O)NC(=O)N1CCN(C1=O)/N=C/c1ccco1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.416	0.507	0.022	0.183	0.526	0.623	0.141	0.114	0.398	0.024	0.215
Compound_985	CCN(CCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(OC)cccc1OC)CC	0.166	0.593	0.024	0.256	0.268	0.137	0.176	0.65	0.38	0.117	0.23
Compound_986	O=C(C(c1ccccc1)Oc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.153	0.405	0.001	0.126	0.177	0.086	0.264	0.02	0.084	0.063	0.1
Compound_987	O=CN[C@@]1(NC(=O)[C@@H](c2ccc(c(c2)O)O)NC(=O)N2CCN(C(=O)C2=O)CC)C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.259	0.549	0.018	0.199	0.529	0.292	0.004	0.175	0.353	0.873	0.301
Compound_988	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N1C(=O)[C@H](NC1(C)C)c1ccc(cc1)O	0.198	0.339	0.004	0.231	0.43	0.188	0.009	0.028	0.172	0.455	0.09
Compound_989	CCCCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.06	0.453	0.0	0.118	0.5	0.04	0.002	0.101	0.254	0.612	0.229
Compound_990	Clc1ccc(cc1)OC(C(=O)NC(C(=O)N[C@H]1C(=O)N2[C@H]1SC([C@H]2C(=O)O)(C)C)c1ccccc1)(C)C	0.134	0.359	0.023	0.155	0.229	0.253	0.187	0.092	0.119	0.801	0.231
Compound_991	CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.063	0.453	0.0	0.11	0.424	0.057	0.007	0.036	0.242	0.702	0.215
Compound_992	CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2[C@H](C1)[C@@H](C2=O)C(OS(=O)(=O)O)(C)C	0.495	0.448	0.034	0.258	0.438	0.443	0.001	0.494	0.226	0.894	0.5
Compound_993	CC(=O)N/C=C/S(=O)C1=C(C(=O)O)N2[C@H](C1)[C@@H](C2=O)C(O)(C)C	0.394	0.458	0.012	0.238	0.29	0.168	0.001	0.598	0.229	0.926	0.429
Compound_994	O=C(CC12CC3CC(C1)CC(C2)(C3)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.071	0.277	-0.0	0.124	0.545	0.198	0.192	0.043	0.333	0.059	0.091
Compound_995	O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)Cc1ccc(cc1)C1=NCCCN1	0.193	0.422	0.0	0.135	0.303	0.156	0.695	0.13	0.117	0.091	0.19
Compound_996	CC(C[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)OC(=O)c1ccco1)C	0.231	0.36	0.006	0.162	0.19	0.313	0.012	0.334	0.261	0.191	0.171
Compound_997	O=C(C(c1ccccc1)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)OC1OC(=O)c2c1cccc2)(C)C	0.344	0.364	0.022	0.147	0.308	0.22	0.208	0.454	0.308	0.062	0.196
Compound_998	O=C([C@@H](c1ccc(cc1)O)/N=C/c1ccco1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.221	0.353	0.0	0.134	0.248	0.467	0.082	0.111	0.296	0.046	0.124
Compound_999	COc1cc(Cc2c[nH]c(=N)[nH]c2=N)c(cc1OC)C	0.435	0.569	0.936	0.491	0.095	0.415	0.005	0.051	0.718	0.005	0.543
Compound_1000	CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C	0.799	0.561	0.003	0.386	0.448	0.162	0.002	0.041	0.312	0.33	0.239