Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Clc1c(Cl)cc2c(c1Cl)C1=NC2=NC2=NC(=NC3=NC(=NC4=NC(=N1)c1c4c(Cl)c(c(c1Cl)Cl)Cl)c1c3c(Cl)c(c(c1Cl)Cl)Cl)c1c2c(Cl)c(c(c1Cl)Cl)Cl	0.628	0.634	0.979	0.705	0.727	0.656	0.933	0.992	0.629	0.906	0.608
Compound_2	CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C1(Sc2c(N1)cccc2)S(=O)(=O)O	0.552	0.488	0.489	0.46	0.688	0.609	0.93	0.158	0.392	0.034	0.374
Compound_3	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC	0.802	0.057	0.064	0.656	0.241	0.399	0.883	0.498	0.226	0.792	0.333
Compound_4	N#Cc1ccc(cc1)CCCc1ccc(cc1)C#N	0.845	0.615	0.301	0.581	0.782	0.238	0.995	0.718	0.889	0.989	0.97
Compound_5	CCCCCP(=O)(Oc1ccccc1)Oc1ccccc1	0.848	0.644	0.546	0.675	0.848	0.274	0.993	0.939	0.936	0.976	0.729
Compound_6	N#N=C1C(=O)c2ccccc2C=C1S(=O)(=O)Cl	0.682	0.658	0.855	0.624	0.051	0.617	0.905	0.985	0.732	0.702	0.584
Compound_7	CCCCCCCCCCCCCCC(COC(=O)C(=C)C)C	0.993	0.084	0.065	0.682	0.558	0.124	0.999	0.952	0.914	1.0	0.972
Compound_8	CCCCCCCCCCC(OC(=O)C(=C)C)C	0.993	0.025	0.047	0.605	0.555	0.071	0.997	0.727	0.886	1.0	0.962
Compound_9	Cc1nccnc1OCCC=CCC	0.442	0.503	0.358	0.593	0.115	0.145	0.001	0.74	0.778	0.945	0.764
Compound_10	CCCCCCCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.067	0.864	0.981	0.9	0.914	0.15	0.5
Compound_11	CCCC(=O)OCCc1scnc1C	0.561	0.557	0.237	0.551	0.064	0.641	0.922	0.478	0.396	0.938	0.865
Compound_12	N#Cc1cccc2c1Cc1c2cccc1	0.934	0.638	0.935	0.765	0.742	0.294	0.909	0.934	0.867	0.998	0.994
Compound_13	CCCCCCCCCCCCCCC(OC(=O)C(=C)C)CCCCCCCCCCCC	0.993	0.025	0.047	0.585	0.528	0.155	0.999	0.744	0.908	1.0	0.962
Compound_14	O=N(=O)c1cc(cc(c1OC1=CC=CC(C1N(=O)=O)(Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.591	0.71	0.969	0.692	0.912	0.828	0.734	0.997	0.734	0.843	0.87
Compound_15	CCCCCCCCCCCCCCCCC(COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCC	0.964	0.016	0.408	0.723	0.55	0.085	0.996	0.861	0.321	1.0	0.942
Compound_16	CCCCCCCCCCCCCCOC(=O)CCCC(=O)O	0.564	0.02	0.092	0.35	0.212	0.163	0.959	0.321	0.511	0.7	0.416
Compound_17	CCc1ccccc1NS(=O)(=O)c1cc(N=NC2C(=NN(C2=O)c2cc(ccc2Cl)S(=O)(=O)[O-])C)ccc1C	0.478	0.523	0.988	0.535	0.682	0.683	0.903	0.958	0.407	0.958	0.368
Compound_18	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCC	0.927	0.011	0.296	0.715	0.184	0.229	0.995	0.76	0.31	0.965	0.924
Compound_19	CCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCC)COC(=O)CCCCC(=O)OC1	0.915	0.215	0.296	0.715	0.112	0.204	0.995	0.76	0.35	0.931	0.431
Compound_20	CCC(OCc1ccco1)OCc1ccco1	0.193	0.457	0.169	0.442	0.087	0.412	0.973	0.92	0.342	0.998	0.945
Compound_21	COC(=O)CCSCc1ccco1	0.37	0.256	0.181	0.494	0.136	0.506	0.971	0.888	0.363	0.621	0.822
Compound_22	CC(CCCCc1ccccn1)C	0.228	0.249	0.835	0.492	0.067	0.451	0.001	0.892	0.346	0.018	0.122
Compound_23	OCC=CC=C(CC(OC)(C)C)C	0.697	0.128	0.119	0.502	0.348	0.263	0.152	0.864	0.596	0.212	0.949
Compound_24	CCNc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1	0.785	0.577	0.919	0.459	0.954	0.968	0.842	0.094	0.577	0.832	0.854
Compound_25	CN(c1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)C)C	0.46	0.55	0.745	0.413	0.299	0.506	0.029	0.693	0.406	0.207	0.232
Compound_26	NCCC[Si](OCCOCC)(OCCOCC)OCCOCC	0.46	0.093	0.122	0.426	0.053	0.148	0.025	0.005	0.26	0.055	0.179
Compound_27	OCC[N+](CCCS(=O)(=O)O)(CCO)C	0.017	0.274	0.002	0.284	0.092	0.186	0.036	0.126	0.398	0.076	0.485
Compound_28	CCCCCCCCCCCC[N+](COCC(CCCC)CC)(C)C	0.46	0.498	0.012	0.627	0.016	0.686	0.754	0.051	0.721	0.063	0.342
Compound_29	Clc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)c1ccc(cc1)N=NC(C(=O)Nc1ccc(cc1)Cl)C(=O)C	0.688	0.652	1.0	0.778	0.906	0.967	0.915	0.548	0.473	0.936	0.726
Compound_30	CC=CCOC(=O)C(CC)C	0.905	0.008	0.658	0.636	0.53	0.021	0.989	0.974	0.667	1.0	0.928
Compound_31	O=C1C(C)CC2=C1CCC(C2)C(C)(C)C	0.989	0.67	0.468	0.503	0.237	0.094	0.077	0.655	0.612	1.0	0.386
Compound_32	CC1COC2(C1)CCC(CC2)C(C)(C)C	0.952	0.384	0.015	0.46	0.231	0.274	0.743	0.184	0.79	0.99	0.841
Compound_33	CCCCCC=CCC=CCCCCCCCC(=O)NCCCN(CCCN)C	0.479	0.094	0.0	0.166	0.023	0.208	0.575	0.092	0.382	0.389	0.216
Compound_34	CC(COC1CCCCC1O)C	0.685	0.285	0.007	0.505	0.132	0.216	0.792	0.198	0.383	0.559	0.055
Compound_35	Clc1cc(N=Nc2c(O)ccc3c2c(N)ccc3)c(c(c1)S(=O)(=O)[O-])O	0.77	0.483	0.96	0.6	0.731	0.661	0.201	0.98	0.489	0.711	0.282
Compound_36	CCCCCCCCCCCCCCCC=CCC(C1=NC(CO1)(CO)CO)CC1=NC(CO1)(CO)CO	0.804	0.419	0.196	0.651	0.18	0.66	0.618	0.669	0.519	0.035	0.634
Compound_37	CCCCCCCCCCCCCCCCCC1=NC(CO1)(COC(=O)CCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.514	0.398	0.127	0.693	0.122	0.58	0.906	0.481	0.346	0.94	0.829
Compound_38	COCCCCOP(=O)(OCCCCOC)OCCCCOC	0.77	0.031	0.364	0.555	0.07	0.09	0.995	0.918	0.539	0.947	0.694
Compound_39	CCCCCCCCCCC(C[N+](CCO)(CCO)C)O	0.535	0.287	0.004	0.491	0.044	0.355	0.163	0.346	0.808	0.002	0.141
Compound_40	CCCCCCCCCCCCCCCCC(C[N+](CCO)(CCO)C)O	0.535	0.287	0.004	0.491	0.044	0.355	0.163	0.346	0.808	0.002	0.141
Compound_41	OCC1CCC(CO1)O	0.647	0.256	0.011	0.438	0.061	0.163	0.571	0.16	0.151	0.072	0.025
Compound_42	Nc1ccc(c(c1)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)[O-]	0.774	0.426	0.991	0.645	0.752	0.735	0.883	0.998	0.455	0.234	0.181
Compound_43	CC(=CC1CC2CC1C=C2)C(O)C	0.838	0.529	0.055	0.586	0.663	0.107	0.286	0.947	0.267	0.85	0.899
Compound_44	CCCCCCCOC(=O)C(NC(=O)C)CCSC	0.076	0.091	0.11	0.386	0.211	0.02	0.003	0.238	0.417	0.535	0.208
Compound_45	CCCCCCCCOC(=O)C(NC(=O)C)CCSC	0.091	0.091	0.11	0.386	0.248	0.026	0.008	0.238	0.421	0.535	0.208
Compound_46	CCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCC	0.946	0.126	0.24	0.628	0.133	0.097	1.0	0.823	0.877	0.999	0.373
Compound_47	Cc1ccc(c(c1)S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)Cl	0.696	0.454	0.966	0.483	0.588	0.693	0.131	0.839	0.578	0.608	0.433
Compound_48	Oc1ccc(c(c1)O)N=Nc1cc(c(cc1C)Cl)S(=O)(=O)[O-]	0.681	0.444	0.717	0.582	0.712	0.647	0.959	0.964	0.403	0.939	0.147
Compound_49	CC=C(C(=O)OCC1CCCO1)C	0.966	0.277	0.198	0.778	0.679	0.059	0.961	0.996	0.885	0.999	0.823
Compound_50	Cc1ccc(n[nH+]1)Cl	0.722	0.311	0.111	0.663	0.433	0.618	0.93	0.939	0.931	0.242	0.199
Compound_51	OC(=O)CN(CC(=O)O)CC1OCC(OC1)CN(CC(=O)O)CC(=O)O	0.017	0.202	0.011	0.053	0.289	0.029	0.013	0.445	0.527	0.301	0.226
Compound_52	CCCCCCCCCC(C(=O)OCC(CNc1ccc(cc1)Cc1ccc(cc1)N)O)(CCCCCCCCC)C	0.591	0.684	0.178	0.519	0.655	0.696	0.027	0.249	0.392	0.014	0.298
Compound_53	CCC(C1(CC)C(=O)NC(=O)NC1=O)C(C)C	0.233	0.347	0.045	0.26	0.06	0.074	0.001	0.048	0.241	0.545	0.118
Compound_54	OCC1OC(O)C(C(C1O)OC1OC(C(=O)O)C(C(C1O)O)O)NC(=O)C	0.068	0.595	0.001	0.285	0.048	0.209	0.003	0.053	0.13	0.142	0.221
Compound_55	CC1CCC2=C(C)C(=O)CC(C2C1)C(C)C	0.995	0.688	0.312	0.427	0.135	0.092	0.013	0.878	0.463	1.0	0.464
Compound_56	CCC(C(C(C(C(C)(C)C)C)C)C)O	0.915	0.049	0.041	0.424	0.133	0.055	0.765	0.062	0.373	0.704	0.75
Compound_57	CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C1=NN(C(=O)C1CCC#N)c1cccc(c1)S(=O)(=O)O	0.634	0.559	0.701	0.492	0.646	0.663	0.848	0.275	0.404	0.167	0.434
Compound_58	CCCCCCCCC=CCCCCCCCC(=O)NCCN1CC[NH+](C1CCCCCCCC=CCCCCCCCC)C	0.259	0.464	0.024	0.23	0.096	0.234	0.491	0.134	0.383	0.598	0.299
Compound_59	CC(c1ccc(cc1)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)(C)C	0.512	0.703	0.957	0.54	0.646	0.74	0.996	0.421	0.858	0.912	0.985
Compound_60	CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)NC(=O)C)S(=O)(=O)[O-]	0.854	0.521	0.961	0.557	0.818	0.73	0.808	0.989	0.489	0.312	0.154
Compound_61	CCCCCCCCCCCCCCCCCC(=NNc1ccc(c(c1)S(=O)(=O)O)OCC)C(=NNc1ccc(cc1S(=O)(=O)c1ccc(c(c1)C(=O)[O-])O)NC(=O)c1ccccc1)C	0.699	0.629	0.392	0.749	0.648	0.64	0.958	0.186	0.408	0.584	0.349
Compound_62	COc1cc(NC(=O)c2cccc(c2)NC(=O)Nc2cccc(c2)C(=O)Nc2cc(OC)c(cc2C)N=Nc2cc(C(=O)[O-])c(c(c2)S(=O)(=O)[O-])O)c(cc1N=Nc1cc(C(=O)[O-])c(c(c1)S(=O)(=O)[O-])O)C	0.586	0.477	0.996	0.752	0.7	0.657	0.919	0.594	0.355	0.664	0.26
Compound_63	OCCCCCCCC=CCC	0.976	0.099	0.078	0.538	0.28	0.077	0.951	0.444	0.132	0.958	0.659
Compound_64	CCCC=CCCCCCCO	0.947	0.184	0.123	0.558	0.223	0.056	0.943	0.632	0.142	0.967	0.608
Compound_65	COC(=O)C1=C(O)CCN(C1)Cc1ccccc1	0.189	0.529	0.13	0.086	0.093	0.641	0.004	0.064	0.471	0.011	0.021
Compound_66	CCCCCCCCC=CCCCCCCCC[N+](CCOCCO)(CCOCCO)C	0.619	0.284	0.01	0.628	0.354	0.914	0.732	0.859	0.435	0.013	0.217
Compound_67	N1CCOB2OCCNCCOB(OCC1)OCCNCCO2	0.032	0.144	0.01	0.364	0.419	0.721	0.001	0.015	0.278	0.642	0.67
Compound_68	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC	0.871	0.013	0.059	0.673	0.149	0.056	0.999	0.073	0.224	0.989	0.922
Compound_69	OS(=O)(=O)c1cccc2c1nn[nH]2	0.564	0.326	0.94	0.363	0.65	0.636	0.13	0.056	0.392	0.02	0.292
Compound_70	OC1CCC(CC1C)C1CC(C)C2C(C1C)CCC2	0.928	0.652	0.052	0.497	0.471	0.679	0.134	0.285	0.305	0.987	0.507
Compound_71	N#Cc1ccc(cc1)NC(=O)Nc1ccc(cc1O)N	0.77	0.685	0.89	0.549	0.886	0.467	0.961	0.063	0.574	0.208	0.743
Compound_72	OCOCCOCCOCCOCO	0.684	0.067	0.061	0.475	0.136	0.395	0.09	0.081	0.576	0.763	0.608
Compound_73	OCOCOCCOCCOCCOCO	0.653	0.073	0.061	0.468	0.128	0.254	0.09	0.086	0.576	0.83	0.598
Compound_74	CCOC(C=CC1C(C)CCCC1(C)C)(OCC)C	0.994	0.218	0.666	0.629	0.822	0.807	0.764	0.827	0.742	1.0	0.59
Compound_75	CCSC(=O)CCCc1ccco1	0.276	0.24	0.411	0.593	0.043	0.377	0.993	0.774	0.318	0.997	0.942
Compound_76	CCCCCCCCCC(C(=O)OCC(CNCC1(C)CC(N)CC(C1)(C)C)O)(CCCCCCCCC)C	0.068	0.293	0.004	0.34	0.084	0.112	0.012	0.032	0.308	0.002	0.047
Compound_77	CCOC(=O)C=C(C(CC=C(C)C)C)C	0.902	0.037	0.603	0.725	0.489	0.095	0.987	0.995	0.784	0.992	0.972
Compound_78	Cc1ccc(c(c1)N=NC1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)C	0.429	0.584	0.954	0.547	0.374	0.52	0.906	0.923	0.406	0.811	0.199
Compound_79	CCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.937	0.009	0.414	0.726	0.438	0.112	0.999	0.969	0.376	1.0	0.942
Compound_80	CCCCC(COC(=O)c1nc(Cl)ccc1Cl)CC	0.557	0.407	0.169	0.544	0.57	0.385	0.966	0.513	0.708	0.985	0.348
Compound_81	CCCCCCCCCCC(=O)NCCC[N+](CC(=O)O)(C)C	0.084	0.221	0.002	0.258	0.04	0.03	0.18	0.03	0.382	0.002	0.154
Compound_82	CCCCCCCCC(S(=O)(=O)O)C(CCCCCCCC(=O)N(CCCC)CCCC)O	0.312	0.128	0.017	0.304	0.056	0.456	0.088	0.523	0.377	0.394	0.361
Compound_83	CCCCCCCCCCCCOCCOP(=O)(OCCOCCCCCCCCCCCC)OCCOCCCCCCCCCCCC	0.977	0.032	0.289	0.638	0.29	0.236	0.999	0.803	0.755	0.983	0.649
Compound_84	CCCCCCCCCCCCCCCCCCN(C(=O)NCCO)CO	0.267	0.17	0.019	0.306	0.061	0.298	0.058	0.091	0.548	0.039	0.233
Compound_85	CCOc1ccc(c(c1)S(=O)(=O)[O-])N=Nc1c(O)ccc2c1cccc2	0.781	0.599	0.846	0.603	0.871	0.724	0.906	0.971	0.427	0.589	0.211
Compound_86	NCCNCC(N)N	0.023	0.079	0.019	0.348	0.012	0.003	0.0	0.039	0.107	0.073	0.079
Compound_87	O=C(OC(C(COC(=O)C(C)C)(C)C)C(C)C)CCCC(=O)OC(C(COC(=O)C(C)C)(C)C)C(C)C	0.756	0.015	0.132	0.685	0.169	0.103	0.987	0.203	0.193	0.247	0.731
Compound_88	O=C(OC(C(COC(=O)C(C)C)(C)C)C(C)C)CCCCC(=O)OC(C(COC(=O)C(C)C)(C)C)C(C)C	0.766	0.025	0.132	0.685	0.111	0.121	0.973	0.203	0.279	0.669	0.757
Compound_89	CCCCCCCCC(C(CCCCCCCC(=O)OC(C)C)SCl)SCl	0.792	0.157	0.047	0.586	0.416	0.33	1.0	0.309	0.616	1.0	0.676
Compound_90	CCOC(=O)NN=C(C1(N=N#N)C(O)CC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C	0.7	0.829	0.333	0.701	0.5	0.606	0.067	0.969	0.397	0.239	0.412
Compound_91	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)C#N	0.977	0.455	0.158	0.729	0.894	0.379	0.992	0.708	0.528	0.977	0.948
Compound_92	CCCCCCC(CC=CCCCCCCCC(=O)NCCNCCO)O	0.297	0.233	0.001	0.259	0.046	0.129	0.005	0.066	0.278	0.057	0.05
Compound_93	NC(C(=O)O)Cc1cn(c2c1cccc2)S(=O)(=O)c1cccc2c1cccc2N(C)C	0.43	0.474	0.143	0.3	0.374	0.649	1.0	0.157	0.221	0.047	0.293
Compound_94	CCN(c1ccc(c(c1)C)N=Nc1ncc(s1)N(=O)=O)CC[n+]1ccccc1	0.299	0.604	0.897	0.739	0.352	0.708	0.774	0.876	0.752	0.099	0.549
Compound_95	OCCCC(=O)NCCCCCCNC(=O)CCCO	0.031	0.035	0.013	0.26	0.021	0.125	0.0	0.032	0.382	0.015	0.131
Compound_96	CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)C(C(C(=O)[O-])OC(=O)C)OC(=O)C)COC(=O)C(C(C(=O)O)OC(=O)C)OC(=O)C	0.824	0.026	0.052	0.383	0.644	0.512	0.958	0.482	0.394	0.882	0.951
Compound_97	CCCCCCCCC(=O)NCCN(CC(=C)C)CCN(CC(=C)C)CCN(CC(=C)C)CCN(CC(=C)C)CC(=C)C	0.114	0.16	0.014	0.062	0.028	0.09	0.275	0.408	0.375	0.826	0.614
Compound_98	O=C1c2cc3oc(nc3cc2C(=O)c2c1cccc2)Nc1cc2c(c3c1C(=O)c1ccccc1C3=O)[nH]c1c(c2=O)cccc1	0.577	0.617	1.0	0.657	0.732	0.648	0.969	0.921	0.895	0.151	0.907
Compound_99	CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C)cc(c2)NC(=O)NC2CCCCC2)cc(c1)C	0.531	0.471	0.415	0.526	0.71	0.911	0.804	0.173	0.551	0.243	0.2
Compound_100	CCCCCC=CCC=CCCCCCCCC(=O)OCCN(CCOC=O)C=O	0.5	0.164	0.445	0.735	0.178	0.43	0.978	0.903	0.284	0.994	0.508
Compound_101	O=C(c1cccc(c1)C(=O)[O-])OCCCOC(=O)c1cccc(c1)C(=O)O	0.255	0.537	0.427	0.388	0.397	0.831	0.954	0.264	0.721	0.098	0.972
Compound_102	CCCCCCOCCN(c1ccc(cc1)N=Nc1ncc(s1)N(=O)=O)CC	0.641	0.565	0.931	0.653	0.32	0.654	0.077	0.802	0.755	0.226	0.567
Compound_103	COC[SiH](OC1CC2C(C1(C)CC2)(C)C)OC1CC2C(C1(C)CC2)(C)C	0.95	0.738	0.028	0.388	0.685	0.647	0.274	0.305	0.439	0.775	0.728
Compound_104	CCCCCCCCCCCCCCCC(=O)NCCCN(CCCN)C	0.209	0.104	0.0	0.076	0.005	0.174	0.521	0.024	0.39	0.181	0.191
Compound_105	OC1C=CC=CC1(CCc1ccccc1)C1CCCCC1	0.88	0.419	0.237	0.66	0.705	0.897	0.632	0.959	0.752	0.907	0.538
Compound_106	CC(=O)OC(C1CC2C=C(C1CC2C(C)C)C)C	0.969	0.454	0.28	0.571	0.674	0.088	0.291	0.987	0.814	0.999	0.944
Compound_107	O=C1NC(=O)CN1CCNCCNCCNCCNCCN1CC(=O)NC1=O	0.055	0.186	0.004	0.177	0.234	0.252	0.003	0.02	0.154	0.111	0.492
Compound_108	CCOCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.602	0.66	0.988	0.599	0.889	0.756	0.126	0.453	0.376	0.199	0.878
Compound_109	CCCCOCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.577	0.695	0.845	0.589	0.889	0.756	0.126	0.585	0.474	0.447	0.852
Compound_110	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC	0.939	0.011	0.221	0.748	0.284	0.287	0.998	0.597	0.372	0.996	0.871
Compound_111	CN1C=N[NH+](C1N=Nc1ccc(cc1)N(C)C)C	0.654	0.385	0.849	0.622	0.212	0.618	0.0	0.731	0.475	0.608	0.38
Compound_112	Nc1ncc(c(c1)C)N	0.406	0.393	0.931	0.529	0.013	0.156	0.002	0.444	0.892	0.221	0.087
Compound_113	CN1CC[NH+](CC1)C(=O)c1cc2cc(Br)ccc2cc1O	0.117	0.509	0.305	0.307	0.584	0.658	0.061	0.359	0.421	0.02	0.234
Compound_114	CC(CC(CNC(=O)OCCOCCOCCOC(=O)NCC(CC(CCNC(=O)OCCOC(=O)C(=C)C)C)(C)C)(C)C)CCNC(=O)OCCOC(=O)C(=C)C	0.371	0.289	0.052	0.358	0.5	0.758	0.079	0.749	0.604	0.115	0.614
Compound_115	CCC=CCCOC(=O)c1ccccc1NC(=O)C	0.226	0.504	0.473	0.556	0.104	0.329	0.478	0.602	0.688	0.888	0.492
Compound_116	OCCC(=O)CC1CC2CC1C=C2	0.961	0.386	0.031	0.536	0.79	0.175	0.395	0.328	0.079	0.425	0.392
Compound_117	Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)N=Nc1c(O)c2c(cc1S(=O)(=O)[O-])cc(c(c2N)N=Nc1ccc(cc1)N(=O)=O)S(=O)(=O)[O-]	0.672	0.376	0.992	0.49	0.704	0.742	0.886	0.985	0.418	0.152	0.472
Compound_118	OCCOCCOCCOCCOCCOCCCCCCCC(C)C	0.909	0.102	0.373	0.575	0.191	0.632	0.96	0.612	0.109	0.709	0.424
Compound_119	NCCNc1cccc2c1C(=O)c1c(C2=O)cccc1	0.424	0.518	0.924	0.532	0.456	0.499	0.656	0.151	0.311	0.028	0.942
Compound_120	CC(C1CCC(C2=C1CC(C2=O)C)C)C	0.992	0.591	0.3	0.494	0.201	0.041	0.245	0.572	0.511	1.0	0.444
Compound_121	OCC(CC1C2CCC(C1(C)C)C2)C	0.928	0.427	0.034	0.536	0.368	0.137	0.243	0.116	0.213	0.493	0.486
Compound_122	CC1(C)C2CCC(C1CC1CCCO1)C2	0.954	0.435	0.015	0.47	0.426	0.168	0.358	0.258	0.533	0.984	0.9
Compound_123	CN=C1Cc2ccccc2N(c2c1cccc2)C	0.399	0.807	0.953	0.607	0.803	0.512	0.97	0.582	0.57	0.375	0.436
Compound_124	ON=C(C(SC)(SC)C)C	0.542	0.203	0.559	0.498	0.422	0.374	0.924	0.549	0.451	0.559	0.877
Compound_125	SCCC[Si](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC	0.931	0.073	0.07	0.625	0.209	0.283	1.0	0.79	0.93	0.991	0.521
Compound_126	CO[Si](CCCN1CCOCC1)(C)C	0.176	0.345	0.008	0.083	0.034	0.155	0.015	0.123	0.239	0.036	0.122
Compound_127	O=C(C[N+](C)(C)C)CC(=O)O	0.057	0.057	0.008	0.156	0.075	0.019	0.005	0.334	0.285	0.0	0.088
Compound_128	OCC(C1NCCO1)(CO)CO	0.01	0.272	0.005	0.292	0.043	0.048	0.002	0.025	0.13	0.019	0.33
Compound_129	Clc1ccc(cc1)Sc1ccc2c3c1cccc3c1n(c2=O)c2c(n1)cc(cc2)C	0.584	0.55	0.876	0.565	0.77	0.711	0.979	0.77	0.62	0.422	0.476
Compound_130	CC(COc1c(cccc1O)C=CC(=O)O)C	0.603	0.272	0.177	0.533	0.563	0.02	0.058	0.955	0.538	0.873	0.075
Compound_131	CC1OC(C(C1C)c1ccccc1)C	0.65	0.18	0.591	0.514	0.055	0.076	0.829	0.244	0.364	0.973	0.306
Compound_132	CCCCCCCCCCC(OCCc1ccccc1)OC	0.679	0.134	0.359	0.591	0.053	0.713	0.999	0.942	0.908	0.988	0.71
Compound_133	CCCCCCCCCCC(OCCC(CCC=C(C)C)C)OC	0.963	0.066	0.48	0.598	0.171	0.278	0.998	0.95	0.855	0.998	0.979
Compound_134	CCCCCCCCCCCCCCCCCCOCCOC(=O)CCC(C(=O)OCCOCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCC	0.447	0.071	0.077	0.462	0.208	0.113	0.29	0.077	0.407	0.701	0.118
Compound_135	O=C1OC2C(C1(C)Cl)CCCC2	0.92	0.513	0.042	0.651	0.166	0.096	0.993	0.956	0.528	0.986	0.821
Compound_136	CSc1ccc(cc1)C(=O)c1cccc(c1)C(C(=O)O)C	0.088	0.565	0.032	0.304	0.661	0.578	0.929	0.012	0.136	0.044	0.643
Compound_137	COC(=O)CCCC=CCC1C(O)CC(C1C#CC(C(CC1CCCCC1)F)O)O	0.817	0.589	0.238	0.757	0.886	0.812	0.605	0.987	0.419	0.595	0.175
Compound_138	Clc1ccc(cc1)Sc1ccc2c3c1cccc3c(=O)n1c2nc2c1cc(cc2)C	0.62	0.55	0.876	0.565	0.77	0.711	0.979	0.77	0.62	0.422	0.476
Compound_139	COCC(COCC(CO)(CO)CO)(CO)CO	0.842	0.072	0.119	0.457	0.091	0.175	0.328	0.449	0.422	0.169	0.551
Compound_140	CCCCc1ccc(cc1)Oc1nc(Nc2ccc(c(c2)N=NC2C(=O)N(N=C2C(=O)O)c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O)nc(n1)Cl	0.634	0.498	0.991	0.521	0.719	0.648	0.643	0.545	0.408	0.337	0.506
Compound_141	O=CNC(C(C)(C)C)C	0.055	0.048	0.137	0.256	0.012	0.094	0.001	0.38	0.597	0.665	0.437
Compound_142	CCc1ccccc1NS(=O)(=O)c1cc(N=Nc2c(N)ccc3c2ccc(c3)S(=O)(=O)[O-])ccc1C	0.494	0.45	0.982	0.451	0.674	0.745	0.861	0.99	0.422	0.068	0.249
Compound_143	Cn1nc(c(c1N(C(=O)c1ccccc1)C)C(=O)c1ccccc1F)C	0.671	0.615	0.665	0.62	0.422	0.734	0.771	0.947	0.795	0.752	0.243
Compound_144	CC(CC(NC(=O)C(=C)C)NC(=O)C(=C)C)C	0.175	0.142	0.339	0.366	0.064	0.016	0.0	0.387	0.556	0.977	0.619
Compound_145	NCCCCCCNC(=O)c1ccc(cc1)C(=O)O	0.073	0.189	0.005	0.126	0.006	0.286	0.0	0.012	0.307	0.0	0.014
Compound_146	CCCCCCCCCCCCCC(c1ccccc1)c1ccccc1	0.911	0.45	0.545	0.531	0.323	0.656	0.992	0.971	0.945	1.0	0.834
Compound_147	CCCCCCCCCC(c1ccccc1)c1ccccc1	0.911	0.45	0.545	0.531	0.339	0.351	0.989	0.971	0.945	1.0	0.834
Compound_148	COC12CCC(C3C1(C)CCC(C2(C)C)C3)C	0.968	0.625	0.024	0.534	0.612	0.574	0.472	0.38	0.473	0.992	0.759
Compound_149	CCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O	0.952	0.103	0.097	0.727	0.446	0.157	0.982	0.938	0.236	0.924	0.404
Compound_150	O=C1C(=Cc2cccn2C)CCCC1=Cc1cccn1C	0.558	0.648	0.441	0.58	0.113	0.721	0.033	0.856	0.728	0.674	0.786
Compound_151	Oc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(cc1)N=Nc1ccc(cc1)O)S(=O)(=O)[O-]	0.875	0.426	0.998	0.613	0.749	0.756	0.821	0.993	0.499	0.234	0.181
Compound_152	O=CC(C(C(C(CO)O)O)OCc1ccccc1)O	0.111	0.16	0.184	0.414	0.073	0.119	0.116	0.016	0.121	0.471	0.106
Compound_153	CC(=O)Nc1cccc(c1)N=Nc1cc(N=Nc2ccc(cc2)S(=O)(=O)[O-])c(cc1O)O	0.658	0.354	0.937	0.486	0.772	0.601	0.306	0.969	0.393	0.234	0.141
Compound_154	CC(CC(=O)OC1CC(CC=C1C)C(=C)C)C	0.893	0.343	0.828	0.624	0.301	0.057	0.74	0.998	0.574	0.998	0.597
Compound_155	CC(CC(=O)OCC1=CCC(CC1)C(=C)C)C	0.924	0.187	0.945	0.683	0.398	0.059	0.909	0.997	0.552	0.998	0.813
Compound_156	COC(C(OCCc1ccccc1)O)OC	0.216	0.126	0.251	0.535	0.045	0.483	0.779	0.554	0.807	0.024	0.056
Compound_157	Clc1ccc(c(c1)Cl)C[N+](Cc1ccc(cc1Cl)Cl)(C)C	0.605	0.402	0.088	0.547	0.737	0.904	0.502	0.63	0.344	0.661	0.191
Compound_158	CCOC(=O)N(c1cc(NC(=O)c2ccccc2)c(cc1[N+]#N)OC)C	0.696	0.773	0.843	0.664	0.38	0.623	0.427	0.041	0.399	0.852	0.65
Compound_159	CC[n+]1ccc(c2c1cccc2)C=Cc1cc(c2c1c(C)ccc(c2)C(C)C)C	0.605	0.668	0.979	0.704	0.309	0.767	0.882	0.93	0.896	0.806	0.552
Compound_160	COCC(CN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O)CC=C)O	0.687	0.643	0.478	0.522	0.688	0.652	0.042	0.98	0.42	0.972	0.602
Compound_161	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)O	0.744	0.629	0.841	0.631	0.923	0.88	0.925	0.177	0.414	0.199	0.834
Compound_162	N#N=Nc1ccccc1c1ccccc1OC(=O)C	0.813	0.826	0.912	0.746	0.767	0.631	0.997	0.932	0.841	0.839	0.403
Compound_163	COc1ccc(cc1)C(=C1C=CC(=N)C(=C1)C(=O)O)c1ccc(c(c1)C(=O)O)N	0.645	0.73	0.54	0.394	0.93	0.992	0.997	0.934	0.615	0.631	0.85
Compound_164	OCCCO[Si](O[Si](OCCCO)(C)C)(C)C	0.484	0.035	0.059	0.503	0.077	0.45	0.347	0.135	0.119	0.082	0.532
Compound_165	CCC(=Cc1sc2c([n+]1CCC(=O)O)cc(cc2)Cl)C=c1sc2c(n1CCC(=O)O)cccc2	0.748	0.489	0.933	0.435	0.633	0.841	0.945	0.878	0.464	0.095	0.683
Compound_166	CCOc1ccc(cc1S(=O)(=O)O)CNc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O)C	0.656	0.609	0.998	0.481	0.671	0.669	0.953	0.937	0.405	0.12	0.403
Compound_167	OCC(COOOCC(CO)O)O	0.74	0.126	0.051	0.415	0.096	0.104	0.032	0.02	0.085	0.887	0.306
Compound_168	CCCCCCCCCC(COC(=O)C(=C)C)C	0.993	0.084	0.065	0.682	0.584	0.056	0.999	0.952	0.914	1.0	0.972
Compound_169	CCCCCCCCCCC(COC(=O)C(=C)C)C	0.993	0.084	0.065	0.682	0.558	0.124	0.999	0.952	0.914	1.0	0.972
Compound_170	OCCSCC=CCCC=CC	0.305	0.224	0.071	0.476	0.491	0.092	0.914	0.627	0.281	0.852	0.729
Compound_171	O=C1C=CC2(C(=C1)CCC1C2(Cl)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C	0.954	1.0	0.317	0.899	0.762	0.682	0.116	0.051	0.221	0.093	0.124
Compound_172	CC(C1CCCOC1=O)CCCC(C)C	0.878	0.319	0.615	0.668	0.092	0.012	0.97	0.648	0.199	0.928	0.154
Compound_173	CCCCCCCCC(Cc1ccc(cc1)C(C)C)C=O	0.812	0.095	0.208	0.518	0.06	0.491	0.971	0.51	0.847	0.999	0.617
Compound_174	CCCC(=O)c1cc(F)ccc1OCC1CO1	0.184	0.317	0.722	0.637	0.377	0.166	0.299	0.962	0.493	0.994	0.648
Compound_175	COc1ccc(cc1)N=Nc1c(O)c2c(N=Nc3cc(N=Nc4ccc(cc4)Nc4ccc(cc4S(=O)(=O)[O-])N(=O)=O)c(cc3O)O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.79	0.518	0.992	0.605	0.733	0.704	0.984	0.992	0.488	0.622	0.404
Compound_176	CCCCOc1cc([N+]#N)c(cc1c1ccc(cc1)OC)OCCCC	0.557	0.723	0.671	0.783	0.931	0.596	0.986	0.924	0.629	0.704	0.869
Compound_177	CCCCCCC(CC=CCCCCCCCC(=O)NCC[N+](CCC[N+](C)(C)C)(C)C)O	0.37	0.238	0.002	0.433	0.026	0.231	0.006	0.655	0.287	0.009	0.21
Compound_178	[O-]C(=O)C(S)(O)C	0.363	0.176	0.038	0.289	0.088	0.079	0.97	0.153	0.511	0.079	0.889
Compound_179	CCCCCCCCCCCCCCCCCC[NH2+]C(CCOCCO)CCOCCO	0.08	0.203	0.032	0.415	0.095	0.665	0.068	0.576	0.185	0.113	0.23
Compound_180	CCCCCCCCCCCCCC(=O)OCC1(OC2OC(CO)C(C(C2OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(C(C1OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)CO	0.593	0.567	0.018	0.674	0.61	0.482	0.904	0.311	0.249	0.575	0.906
Compound_181	CCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCC)C(OC(C1O)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)CO	0.613	0.577	0.007	0.585	0.2	0.282	0.904	0.26	0.207	0.6	0.868
Compound_182	C=CC(=O)OC(COC(COCC(OC(=O)C=C)C)COCC(OCC(OC(=O)C=C)C)C)C	0.98	0.076	0.424	0.677	0.888	0.881	0.999	0.993	0.93	0.999	0.907
Compound_183	Nc1ccc(nc1)NCc1ccc(n1C)C	0.27	0.512	0.698	0.455	0.096	0.723	0.0	0.789	0.431	0.003	0.207
Compound_184	Nc1c2cc(cc(c2ccc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	0.799	0.399	0.985	0.59	0.589	0.729	0.902	0.936	0.517	0.82	0.294
Compound_185	O=C=NC1CCCCC1Cc1ccc(c(c1)N=C=O)C	0.739	0.461	0.712	0.584	0.493	0.631	0.946	0.758	0.577	0.925	0.429
Compound_186	O=C=NC1CCCCC1Cc1cccc(c1C)N=C=O	0.726	0.48	0.815	0.574	0.444	0.387	0.834	0.748	0.578	0.925	0.398
Compound_187	NC1CCCCC1Cc1ccc(c(c1)N)C	0.351	0.296	0.542	0.421	0.16	0.299	0.244	0.519	0.591	0.293	0.179
Compound_188	OCC(COC(=O)CCC(=O)O)O	0.617	0.172	0.025	0.305	0.107	0.16	0.02	0.046	0.339	0.591	0.31
Compound_189	Clc1ccc(c(c1)N(=O)=O)N=NC1C(=NN(C1=O)c1ccccc1)C(=O)N	0.558	0.636	0.651	0.486	0.659	0.58	0.875	0.551	0.408	0.803	0.681
Compound_190	CCOc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccccc1N(=O)=O	0.832	0.755	0.864	0.746	0.878	0.742	0.962	0.974	0.408	0.964	0.877
Compound_191	CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC1(CO)COC(N1)CCCCCCCCCCCC=CCCCCCCCC	0.381	0.492	0.026	0.53	0.132	0.315	0.101	0.554	0.218	0.063	0.284
Compound_192	CCC(COCCc1ccccc1)C	0.531	0.122	0.131	0.466	0.05	0.162	0.987	0.157	0.824	0.999	0.794
Compound_193	O=CC(CC1=CCCCCCC1)C	0.983	0.152	0.698	0.584	0.119	0.083	0.988	0.908	0.473	1.0	0.515
Compound_194	CC1CC2(C(C1)(C)C)CC(C(=O)O2)C	0.871	0.476	0.232	0.483	0.528	0.22	0.771	0.811	0.304	0.999	0.782
Compound_195	CC(=CCCC(CC(=C)C)(O)C)C	0.926	0.119	0.104	0.561	0.156	0.019	0.304	0.972	0.471	0.839	0.909
Compound_196	CC(=CCCC(OC(=O)C)(CC(=C)C)C)C	0.929	0.032	0.286	0.653	0.28	0.017	0.821	1.0	0.801	0.998	0.892
Compound_197	Fc1ccc(c(c1)c1ccc(cc1)c1ccccc1)O	0.974	0.615	0.882	0.777	0.908	0.93	0.98	0.894	0.837	0.946	0.78
Compound_198	C=CN(C(=O)NC#C)C=C	0.208	0.133	0.25	0.366	0.076	0.03	0.011	0.99	0.643	0.975	0.636
Compound_199	CCCCCCCCCCCCCC(=O)OCC1CCCO1	0.928	0.252	0.097	0.748	0.218	0.094	1.0	0.646	0.229	0.998	0.722
Compound_200	CC1OC(=O)CC(C1)C1=C(C)CCCC1(C)C	0.936	0.696	0.317	0.522	0.379	0.095	0.702	0.627	0.483	0.992	0.647
Compound_201	CC(COC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2)C	0.925	0.559	0.302	0.651	0.676	0.505	0.831	0.865	0.42	0.998	0.185
Compound_202	CC(C1C=CC2=CC(=O)CC(C2(C1)C)C)C	0.993	0.572	0.101	0.706	0.612	0.632	0.045	0.98	0.466	1.0	0.509
Compound_203	C=CC(CC(CC(C)C)O)C	0.887	0.055	0.378	0.616	0.265	0.026	0.768	0.942	0.295	0.81	0.602
Compound_204	CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(cc1)C(=O)[O-]	0.353	0.227	0.156	0.235	0.024	0.652	0.785	0.165	0.491	0.763	0.078
Compound_205	COc1cc(OC)cc(c1C(=O)C=CC(=O)O)OC	0.689	0.329	0.501	0.478	0.717	0.475	0.771	0.715	0.722	0.921	0.553
Compound_206	CCC1(O)CCC2C(C1OC(=O)C=C)O2	0.986	0.517	0.018	0.611	0.978	0.597	0.883	0.994	0.907	0.82	0.313
Compound_207	CCCCC(COC(=O)C1CCCC1)CC	0.777	0.131	0.125	0.66	0.076	0.041	0.976	0.391	0.298	0.997	0.857
Compound_208	CCC(=CCC1CC=C(C1(C)C)C)COC(=O)C	0.983	0.331	0.366	0.639	0.79	0.201	0.891	0.995	0.828	0.998	0.979
Compound_209	COCCC1C(C)CCC2C1(C)CCCC2(C)C	0.965	0.41	0.396	0.6	0.379	0.46	0.651	0.319	0.535	0.958	0.73
Compound_210	CCOC(=O)CC1C(C)CCC2C1(C)CCCC2(C)C	0.902	0.437	0.47	0.663	0.442	0.29	0.797	0.873	0.141	0.999	0.695
Compound_211	OCCN1CCCC(C1)CO	0.065	0.153	0.107	0.106	0.014	0.042	0.004	0.125	0.178	0.03	0.017
Compound_212	C=CCC1CC2CC1C1C2CC(C(C1)O)(C)O	0.955	0.701	0.067	0.574	0.776	0.236	0.514	0.867	0.127	0.991	0.425
Compound_213	CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C	0.924	0.303	0.02	0.117	0.086	0.854	0.992	0.194	0.964	0.495	0.461
Compound_214	O=C1c2cc(ccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c2c(C1=O)cc(cc2)N(=O)=O)N(=O)=O	0.985	0.778	0.993	0.81	0.958	0.912	0.999	0.979	0.438	0.999	0.95
Compound_215	CCC(CCCCCCc1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.23	0.105	0.383	0.77	0.117	0.993	0.792	0.309	0.993	0.141
Compound_216	CC(=O)C(C(=O)Nc1ccc(c(c1)S(=O)(=O)O)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-])N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.575	0.639	1.001	0.679	0.712	0.68	0.981	0.976	0.416	0.803	0.241
Compound_217	CCCCCCCCCCCCCCCCCC(=O)OCC1OC(C(C1OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC1C([O-])OC(C(C1O)O)CO	0.576	0.564	0.067	0.716	0.2	0.282	0.904	0.279	0.251	0.65	0.921
Compound_218	Clc1nc(nc(n1)Nc1cccc(c1)P(=O)([O-])[O-])Nc1ccc(c(c1S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1ccc2c(c1S(=O)(=O)[O-])Oc1c(=N2)c(Cl)c2c(=Nc3c(O2)c(c(cc3)Nc2ccc(c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc2nc(Cl)nc(n2)Nc2cccc(c2)P(=O)([O-])[O-])S(=O)(=O)[O-])c1Cl	0.694	0.457	0.916	0.571	0.713	0.652	0.662	0.963	0.527	0.872	0.592
Compound_219	[O-]S(=O)(=O)c1ccc(c(c1)N1N=C(C(C1=O)N=Nc1cc(ccc1S(=O)(=O)[O-])Nc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(Cl)nc(n2)Nc2ccc(c(c2)N=NC2C(=NN(C2=O)c2cc(ccc2Cl)S(=O)(=O)[O-])C)S(=O)(=O)[O-])nc(n1)Cl)C)Cl	0.732	0.498	0.997	0.561	0.726	0.653	0.984	0.984	0.408	0.168	0.366
Compound_220	OS(=O)(=O)c1ccc(cc1N=NC1C(=O)N(N=C1C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-])Nc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])NC(=O)Nc2ccc(cc2S(=O)(=O)[O-])Nc2nc(Cl)nc(n2)Nc2ccc(c(c2)N=NC2C(=O)N(N=C2C(=O)[O-])c2ccc(cc2)S(=O)(=O)[O-])S(=O)(=O)O)nc(n1)Cl	0.585	0.438	1.001	0.539	0.729	0.653	0.698	0.96	0.408	0.101	0.473
Compound_221	Clc1nc(nc(n1)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Cl)nc(n1)Nc1ccc(c(c1)N=NC1C(=NN(C1=O)c1ccccc1Cl)C(=O)O)S(=O)(=O)O)Nc1ccc(c(c1)N=NC1C(=NN(C1=O)c1ccccc1Cl)C(=O)[O-])S(=O)(=O)O	0.68	0.448	0.996	0.498	0.736	0.653	0.908	0.633	0.408	0.166	0.425
Compound_222	CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(C(C1OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)OC1C([O-])OC(C(C1O)O)CO	0.82	0.612	0.103	0.695	0.493	0.403	0.93	0.845	0.309	0.935	0.937
Compound_223	OCC1OC(C(C(C1O)O)O)C1(O)C(=C(C=C2C(=O)C(=C(C(C2=O)(O)C2OC(CO)C(C(C2O)O)O)O)C(=O)C=Cc2ccc(cc2)O)C(=O)C(=C1O)C(=O)C=Cc1ccc(cc1)O)O	0.785	0.593	0.312	0.593	0.875	0.761	0.511	0.734	0.587	0.398	0.76
Compound_224	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1ccc(c(c1C(=O)CCCCCCCCC(=O)c1c(ccc(c1OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O	0.703	0.57	0.505	0.672	0.803	0.659	0.931	0.603	0.35	0.671	0.283
Compound_225	OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(OC2OC(COC3OC(C(C3O)O)CO)C(C(C2O)O)O)(CCC=C(C)C)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O	0.742	0.97	0.005	0.576	0.987	0.901	0.694	0.553	0.793	0.896	0.38
Compound_226	OCC1OC(OC2c3ccc(cc3)Oc3cc4C(NC(=O)C(NC(=O)C2NC(=O)C(c2ccc(cc2)OC2OC(C)C(C(C2O)O)O)NC)c2ccc(cc2)O)C(=O)NC2C(=O)NC(Cc5c(cc(Oc(c3OC3OC(CO)C(C(C3OC3CC(N)C(C(O3)C)O)O)O)c4)c(Cl)c5)OC3CC(N)C(C(O3)C)O)C(=O)NC(c3c(c4cc2ccc4O)c(O)cc(c3)O)C(=O)O)C(C(C1O)O)O	0.729	0.779	0.152	0.409	0.751	0.666	0.169	0.079	0.378	0.36	0.484
Compound_227	OC(CN(c1ccc(cc1)Cc1ccc(cc1)N(CC(COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)(C)C)O)CC(COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)(C)C)O)CC(COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)(C)C)O)COc1ccc(cc1)C(c1ccc(cc1)OCC1OC1)(C)C	0.354	0.766	0.086	0.588	0.972	0.753	0.845	0.521	0.717	0.845	0.917
Compound_228	OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNC(c2ccccc2)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O	0.68	0.831	0.0	0.599	0.682	0.652	0.905	0.291	0.392	0.597	0.914
Compound_229	OCOC(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)OC1OC(O)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)OC1OC(O)C(C(C1O)O)O	0.432	0.454	0.032	0.554	0.762	0.757	0.161	0.656	0.235	0.568	0.126
Compound_230	Clc1nc(nc(n1)Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Cl)nc(n1)Nc1ccc(c(c1)N=NC1C(=O)N(N=C1C(=O)O)c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)Nc1ccc(c(c1)N=NC1C(=O)N(N=C1C(=O)[O-])c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O	0.66	0.448	0.999	0.508	0.744	0.653	0.908	0.711	0.408	0.166	0.425
Compound_231	[O-]C(=O)COc1cc(N=Nc2c(O)c3ccc(cc3cc2S(=O)(=O)[O-])Nc2ccc(cc2)NC(=O)OCCOC(=O)Nc2ccc(cc2)Nc2ccc3c(c2)cc(c(c3O)N=Nc2cc(OCC(=O)[O-])c(c3c2cccc3)N=Nc2ccc(cc2)C(=O)Nc2ccc(c(c2)C(=O)[O-])O)S(=O)(=O)[O-])c2c(c1N=Nc1ccc(cc1)C(=O)Nc1ccc(c(c1)C(=O)[O-])O)cccc2	0.705	0.541	0.998	0.696	0.773	0.665	0.983	0.903	0.409	0.18	0.385
Compound_232	OC(CN1C(=O)C2(OC31CCCCCCCCCCC3)CC(C)(C)NC(C2)(C)C)COCC(COCC(CN1C(=O)C2(OC31CCCCCCCCCCC3)CC(C)(C)NC(C2)(C)C)O)(COCC(CN1C(=O)C2(OC31CCCCCCCCCCC3)CC(C)(C)NC(C2)(C)C)O)COCC(CN1C(=O)C2(OC31CCCCCCCCCCC3)CC(C)(C)NC(C2)(C)C)O	0.181	0.709	0.005	0.349	0.682	0.652	0.005	0.215	0.375	0.967	0.583
Compound_233	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1c(Cc2c(OS(=O)(=O)c3cccc4c3C=CC(=N#N)C4=O)c(OS(=O)(=O)c3cccc4c3C=CC(=N#N)C4=O)c(c(c2C(=O)c2ccccc2)OS(=O)(=O)c2cccc3c2C=CC(=N#N)C3=O)OS(=O)(=O)c2cccc3c2C=CC(=N#N)C3=O)c(C(=O)c2ccccc2)c(c(c1OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O)OS(=O)(=O)c1cccc2c1C=CC(=N#N)C2=O	0.53	0.6	0.687	0.701	0.797	0.658	0.664	0.904	0.435	0.275	0.221
Compound_234	OS(=O)(=O)c1ccc(cc1Nc1nc(nc(n1)Cl)Nc1ccc(cc1S(=O)(=O)O)NC(=O)Nc1ccc(c(c1)S(=O)(=O)O)Nc1nc(Cl)nc(n1)Nc1cc(N=NC2C(=O)N(N=C2C(=O)O)c2ccc(cc2)S(=O)(=O)O)ccc1S(=O)(=O)O)N=NC1C(=O)N(N=C1C(=O)O)c1ccc(cc1)S(=O)(=O)O	0.603	0.428	1.001	0.616	0.73	0.653	0.716	0.616	0.408	0.101	0.478
Compound_235	[O-]S(=O)(=O)c1cc2cc(ccc2c(c1N=Nc1ccc2c(c1S(=O)(=O)[O-])cccc2S(=O)(=O)[O-])O)Nc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])c2ccc(cc2S(=O)(=O)[O-])Nc2nc(Cl)nc(n2)Nc2ccc3c(c2)cc(c(c3O)N=Nc2ccc3c(c2S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])S(=O)(=O)[O-])nc(n1)Cl	0.763	0.423	0.998	0.696	0.754	0.698	0.884	0.997	0.5	0.414	0.395
Compound_236	ClCCN1C(=O)OC2(C1=O)C1N(C)c3c(C41CCN1C4C(C2OC(=O)C)(CC)C=CC1)cc(c(c3)OC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC	0.778	0.769	0.273	0.432	0.832	0.653	0.933	0.871	0.484	0.975	0.919
Compound_237	OCC(C(C1NC(=O)C2CC(CN2C(=O)C(CC(=O)N)NC(=O)C2CS(=O)c3c(CC(NC1=O)C(=O)NCC(=O)NC(C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O	0.762	0.569	0.004	0.275	0.766	0.656	0.117	0.073	0.295	0.139	0.378
Compound_238	Clc1nc(nc(n1)Nc1cc(c(cc1S(=O)(=O)[O-])NC1(Cl)C=CC2=Nc3c(OC2=C1S(=O)(=O)[O-])c(Cl)c1c(c3)Oc2c(N1)ccc(c2S(=O)(=O)[O-])Nc1cc(c(cc1S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)Nc1cccc(c1)P(=O)(O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1cccc(c1)P(=O)(O)O	0.702	0.614	0.858	0.428	0.717	0.652	0.515	0.642	0.417	0.753	0.577
Compound_239	[O-]S(=O)(=O)c1ccc(cc1N=NC1C(=NN(C1=O)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-])C)Nc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(Cl)nc(n2)Nc2ccc(c(c2)N=NC2C(=NN(C2=O)c2cc(Cl)c(cc2Cl)S(=O)(=O)[O-])C)S(=O)(=O)[O-])nc(n1)Cl	0.72	0.498	0.997	0.561	0.714	0.652	0.973	0.985	0.408	0.168	0.366
Compound_240	CCCCCCCCCCCCCCCC(=O)OCC1OC(C(C1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC1C([O-])OC(C(C1O)O)CO	0.576	0.564	0.067	0.716	0.2	0.282	0.904	0.279	0.251	0.65	0.921
Compound_241	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	0.954	0.005	0.231	0.786	0.689	0.407	0.998	0.068	0.298	0.982	0.887
Compound_242	OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)(CCC=C(C)C)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O	0.742	0.96	0.005	0.576	0.984	0.875	0.735	0.665	0.845	0.877	0.33
Compound_243	Clc1nc(Nc2ccc(cc2)Nc2nc(Cl)nc(n2)Nc2c(O)c3c(cc2S(=O)(=O)[O-])cc(cc3N=Nc2ccc3c(c2S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])S(=O)(=O)[O-])nc(n1)Nc1c(O)c2c(cc1S(=O)(=O)[O-])cc(cc2N=Nc1ccc2c(c1S(=O)(=O)[O-])cccc2S(=O)(=O)[O-])S(=O)(=O)[O-]	0.812	0.407	0.995	0.631	0.751	0.707	0.756	0.996	0.445	0.472	0.444
Compound_244	COCCCN(c1nc(nc(n1)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)N(CCNc1nc(nc(n1)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)CCOC(=O)CCC(=O)OCCN(c1nc(nc(n1)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)CCNc1nc(nc(n1)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)C1CC(C)(C)NC(C1)(C)C	0.154	0.658	0.031	0.403	0.692	0.652	0.852	0.089	0.455	0.901	0.765
Compound_245	[O-]C(=O)CCN(CCN(CCC(=O)O)CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O	0.015	0.11	0.011	0.074	0.133	0.131	0.041	0.357	0.107	0.047	0.597
Compound_246	CC(CP(c1ccccc1)C(COCC(OP(Oc1ccccc1)OC(COCC(OP(Oc1ccccc1)OC(COCC(OP(Oc1ccccc1)Oc1ccccc1)C)C)C)C)C)C)OC(CP(c1ccccc1)C(COCC(OP(Oc1ccccc1)OC(COCC(OP(Oc1ccccc1)OC(COCC(OP(Oc1ccccc1)Oc1ccccc1)C)C)C)C)C)C)C	0.695	0.57	0.123	0.635	0.987	0.631	0.983	0.703	0.674	0.977	0.616
Compound_247	Cl[N-]S(=O)(=O)c1ccc(cc1)C	0.421	0.401	0.739	0.674	0.156	0.076	0.901	0.76	0.401	0.969	0.558
Compound_248	NC(C(=O)OC(=O)N)CS	0.017	0.09	0.002	0.252	0.102	0.08	0.001	0.002	0.162	0.021	0.5
Compound_249	C=CCC1C(=O)CC(=C1C)OC(=O)C1C(C1(C)C)C=C(C)C	0.62	0.646	0.367	0.619	0.815	0.104	0.475	0.998	0.316	0.999	0.973
Compound_250	CC1NCC(NC1)C	0.017	0.226	0.035	0.259	0.005	0.003	0.0	0.008	0.341	0.008	0.049
Compound_251	N#Cc1cc(ccc1Cl)N(=O)=O	0.998	0.204	0.854	0.747	0.715	0.198	0.999	0.991	0.633	0.999	0.956
Compound_252	O=CC=Cc1ccc(cc1C)C(C)(C)C	0.882	0.194	0.823	0.621	0.117	0.459	0.903	0.859	1.001	0.999	0.759
Compound_253	CC1CNCC(N1)C	0.023	0.143	0.044	0.316	0.005	0.003	0.0	0.017	0.18	0.003	0.071
Compound_254	OC1CC(C)C2C(C(=C1)C)CC(=C(C)C)C2	0.921	0.427	0.262	0.557	0.596	0.1	0.485	0.953	0.283	0.98	0.924
Compound_255	CCCCCC(=O)OCC(CC)C	0.751	0.012	0.122	0.666	0.053	0.015	0.963	0.574	0.239	0.997	0.905
Compound_256	C=CC(=O)OCC(OCC(OCC(OC(=O)C=C)C)C)C	0.976	0.07	0.521	0.759	0.867	0.643	0.998	0.992	0.95	0.998	0.878
Compound_257	CCC(C(=O)Br)Br	0.889	0.113	0.382	0.693	0.603	0.081	0.997	0.996	0.687	0.999	0.943
Compound_258	CCCCC(=O)C=CC	0.95	0.044	0.337	0.615	0.196	0.026	0.974	0.668	0.626	0.997	0.925
Compound_259	Cc1sc(c(c1)C(=O)C)C	0.653	0.41	0.675	0.574	0.105	0.442	0.942	0.665	0.823	0.989	0.663
Compound_260	O=C([C@@H]1[C@@H](C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1	0.857	0.451	0.773	0.804	0.901	0.399	0.976	0.922	0.367	0.983	0.911
Compound_261	CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](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_262	CCC=CCCCCCCCCCCOC(=O)C	0.984	0.013	0.157	0.697	0.629	0.098	0.999	0.985	0.889	1.0	0.962
Compound_263	COC(=O)C=C(OP(=O)(OC)OC)C	0.952	0.196	0.925	0.696	0.275	0.033	0.996	0.995	0.704	0.988	0.647
Compound_264	O=C1NC(=O)C2C1CC=CC2	0.165	0.42	0.135	0.378	0.148	0.14	0.098	0.796	0.767	0.844	0.354
Compound_265	CNC(=O)Oc1cccc2c1OC(C2=O)(C)C	0.568	0.451	0.071	0.303	0.089	0.127	0.303	0.896	0.371	0.061	0.289
Compound_266	N#C[C@@H](c1ccc(c(c1)Oc1ccccc1)F)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_267	OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C	0.218	0.09	0.273	0.577	0.126	0.082	0.641	0.106	0.468	0.968	0.195
Compound_268	COC[C@@H](N(c1c(C)csc1C)C(=O)CCl)C	0.647	0.662	0.162	0.633	0.715	0.416	0.993	0.943	0.5	0.304	0.865
Compound_269	CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.318	0.621	0.985	0.721	0.905	0.636	0.968	0.958	0.223	0.459	0.817
Compound_270	COC(=O)c1nc(cc(c1Cl)N)c1ccc(c(c1F)OC)Cl	0.684	0.703	0.927	0.729	0.759	0.519	0.733	0.967	0.551	0.166	0.508
Compound_271	OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.91	0.28	0.334	0.722	0.314	0.181	0.848	0.895	0.444	0.458	0.69
Compound_272	N#Cc1ccc(cc1)c1csc(n1)[C@@H]([C@@](c1cc(F)ccc1F)(Cn1cncn1)O)C	0.572	0.722	0.875	0.811	0.5	0.689	0.991	0.62	0.463	0.016	0.617
Compound_273	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_274	O=C(N1CCC(CC1)c1scc(n1)C1=NOC(C1)c1c(F)cccc1F)Cn1nc(cc1C)C(F)(F)F	0.648	0.639	0.27	0.627	0.666	0.71	0.871	0.974	0.395	0.111	0.213
Compound_275	CC(CC(c1ccccc1N=C(c1c(C)nn(c1F)C)O)C)C	0.403	0.65	0.101	0.317	0.652	0.464	0.643	0.47	0.594	0.706	0.238
Compound_276	[S-]C(=S)NCC(NC(=S)[S-])C	0.03	0.082	0.542	0.413	0.172	0.224	0.001	0.715	0.655	0.899	0.812
Compound_277	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C	0.471	0.63	0.979	0.68	0.233	0.573	0.152	0.291	0.707	0.286	0.784
Compound_278	N#Cc1ccc(cc1)c1csc(n1)[C@@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)C	0.606	0.722	0.819	0.82	0.5	0.689	0.991	0.696	0.455	0.016	0.617
Compound_279	Cn1nc(c(c1)C(=Nc1ccccc1C1CC1C1CC1)O)C(F)F	0.46	0.633	0.021	0.416	0.743	0.52	0.939	0.542	0.425	0.4	0.35
Compound_280	C=CCNC(=O)c1c(C)c(sc1[Si](C)(C)C)C	0.386	0.47	0.573	0.529	0.032	0.548	0.018	0.992	0.478	0.316	0.331
Compound_281	CCO[C@H]1[C@@H](OC)[C@H](O[C@H]2C[C@@H]3[C@@H](C2)C(=C[C@@H]2[C@H]3C=C3[C@H]2CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C3=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)C)O[C@H]([C@@H]1OC)C	0.626	0.87	0.03	0.22	0.409	0.499	0.101	0.791	0.283	0.32	0.534
Compound_282	OC(=O)COc1cc(Cl)c(cc1Cl)O	0.511	0.108	0.065	0.516	0.599	0.265	0.926	0.074	0.3	0.934	0.484
Compound_283	Oc1cc(OCC(=O)O)c(cc1Cl)Cl	0.513	0.186	0.065	0.547	0.252	0.128	0.861	0.195	0.53	0.948	0.446
Compound_284	COc1c(Cl)cc(c(c1C(=O)O)Cl)O	0.404	0.179	0.115	0.443	0.794	0.555	0.253	0.023	0.45	0.724	0.3
Compound_285	Clc1cc(O)c(c(c1O)C(=O)O)Cl	0.479	0.184	0.117	0.392	0.826	0.55	0.13	0.245	0.441	0.954	0.236
Compound_286	Oc1cc(Cl)c(cc1N)Cl	0.75	0.59	0.988	0.542	0.681	0.609	0.883	0.994	0.789	0.827	0.991
Compound_287	NC(=O)Nc1cc(Cl)c(cc1O)Cl	0.774	0.454	0.5	0.527	0.723	0.604	0.179	0.7	0.535	0.211	0.662
Compound_288	NC(=O)Nc1ccc(c(c1O)Cl)Cl	0.811	0.454	0.705	0.611	0.698	0.59	0.537	0.682	0.524	0.211	0.662
Compound_289	CCNc1nc(NC(CO)C)nc(n1)Cl	0.175	0.28	0.286	0.387	0.03	0.038	0.001	0.11	0.539	0.168	0.149
Compound_290	OC(=O)[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.306	0.509	0.092	0.425	0.077	0.388	0.083	0.023	0.152	0.051	0.32
Compound_291	O=C(c1ccccc1)NCCCCN=C(N)N	0.051	0.239	0.066	0.349	0.0	0.458	0.002	0.021	0.613	0.001	0.024
Compound_292	OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.295	0.367	0.259	0.455	0.068	0.419	0.173	0.01	0.56	0.293	0.119
Compound_293	NC(=NCCCC(C(=O)c1ccccc1)(C(=O)O)N)N	0.086	0.278	0.014	0.27	0.021	0.39	0.013	0.007	0.254	0.0	0.032
Compound_294	O=C(c1ccccc1)N[C@H](C(=O)O)CCC(=O)N	0.023	0.151	0.01	0.123	0.007	0.065	0.01	0.002	0.24	0.001	0.009
Compound_295	OC(=O)[C@@H](NC(=O)c1ccccc1)CCCNC(=O)c1ccccc1	0.047	0.44	0.08	0.132	0.038	0.226	0.311	0.068	0.289	0.044	0.035
Compound_296	OC(=O)COc1c(C)cc(cc1O)Cl	0.192	0.189	0.225	0.433	0.227	0.148	0.156	0.03	0.212	0.909	0.174
Compound_297	Cc1cc(Cl)c(cc1OCC(=O)O)O	0.269	0.251	0.13	0.49	0.5	0.168	0.444	0.047	0.269	0.925	0.241
Compound_298	CCNc1nc(=S)nc([nH]1)NC(C)(C)C	0.156	0.278	0.075	0.302	0.022	0.299	0.0	0.064	0.208	0.889	0.615
Compound_299	CCNc1nc(nc(n1)SC)NC(C(=O)O)(C)C	0.639	0.22	0.484	0.149	0.062	0.029	0.0	0.024	0.385	0.152	0.424
Compound_300	Oc1cccc2c1nc[nH]2	0.196	0.631	0.886	0.519	0.342	0.623	0.022	0.423	0.303	0.585	0.957
Compound_301	Oc1ccc2c(c1)[nH]cn2	0.268	0.655	0.786	0.499	0.398	0.702	0.017	0.18	0.316	0.585	0.967
Compound_302	NC(=O)Nc1c(N)cccc1O	0.59	0.388	0.15	0.436	0.52	0.126	0.728	0.012	0.524	0.026	0.467
Compound_303	COC(=O)Nc1nc2c([nH]1)cc(cc2)O	0.271	0.536	0.705	0.496	0.604	0.696	0.145	0.231	0.531	0.108	0.841
Compound_304	CCCCNC(=O)n1c(N)nc2c1cccc2	0.133	0.575	0.877	0.446	0.258	0.72	0.003	0.066	0.525	0.158	0.656
Compound_305	COC(=O)Nc1nc2c([nH]1)cccc2O	0.193	0.525	0.829	0.498	0.485	0.628	0.177	0.409	0.501	0.163	0.823
Compound_306	Oc1ccc2c(c1)[nH]c(n2)N	0.234	0.589	0.702	0.526	0.527	0.693	0.21	0.053	0.511	0.587	0.875
Compound_307	NC(=O)c1c(Cl)ccc(c1Cl)O	0.694	0.38	0.08	0.41	0.468	0.499	0.621	0.014	0.714	0.258	0.618
Compound_308	NC(=O)c1c(Cl)cc(cc1Cl)O	0.725	0.38	0.105	0.381	0.702	0.766	0.902	0.007	0.771	0.258	0.618
Compound_309	CC(N1C(=O)c2cc(O)ccc2NS1(=O)=O)C	0.265	0.581	0.398	0.488	0.287	0.615	0.016	0.225	0.235	0.183	0.276
Compound_310	CCNc1nc(nc(n1)Cl)NC(CO)(C)C	0.209	0.302	0.332	0.402	0.018	0.04	0.0	0.113	0.415	0.671	0.14
Compound_311	Nc1nc(Cl)[nH]c(=O)n1	0.387	0.297	0.349	0.41	0.403	0.053	0.015	0.023	0.592	0.04	0.217
Compound_312	ClCC(=O)Nc1c(C)cccc1CC	0.762	0.355	0.784	0.634	0.83	0.102	0.999	0.967	0.683	0.499	0.559
Compound_313	CNc1nc(C)c(c(=O)[nH]1)C	0.122	0.406	0.185	0.334	0.024	0.01	0.002	0.094	0.573	0.1	0.459
Compound_314	CNC(=O)Nc1cc(Cl)c(cc1O)Cl	0.836	0.472	0.871	0.586	0.731	0.63	0.014	0.991	0.511	0.423	0.516
Compound_315	CSc1nc(NCC(=O)O)nc(n1)NC(C)(C)C	0.618	0.21	0.608	0.17	0.067	0.035	0.0	0.009	0.384	0.035	0.34
Compound_316	CCNc1nc(nc(n1)SC)NC(CO)(C)C	0.741	0.24	0.366	0.326	0.027	0.062	0.001	0.113	0.404	0.877	0.379
Compound_317	Nc1nc(nc(n1)S)NC(C)(C)C	0.394	0.206	0.681	0.378	0.051	0.499	0.006	0.222	0.544	0.454	0.431
Compound_318	OCc1c(C)nc([nH]c1=O)N(C)C	0.129	0.468	0.025	0.287	0.091	0.099	0.082	0.031	0.152	0.018	0.443
Compound_319	CC(c1cccc(c1[O-])C(C)(C)C)(C)C	0.685	0.105	0.795	0.554	0.082	0.363	0.14	0.523	0.863	0.997	0.845
Compound_320	Cc1ccc(c(c1C(C)(C)C)O)C(C)(C)C	0.583	0.051	0.383	0.537	0.321	0.478	0.052	0.86	0.955	0.988	0.5
Compound_321	CC(c1cc(Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.628	0.44	0.434	0.631	0.56	0.924	0.093	0.567	0.857	0.997	0.941
Compound_322	Oc1c(cc(cc1C(C)(C)C)C(CC(C)(C)C)(C)C)C(C)(C)C	0.844	0.068	0.15	0.541	0.427	0.977	0.219	0.498	0.776	0.983	0.308
Compound_323	CCCCCCCCCCCCCCCc1cc(O)c(cc1C(C)(C)C)C(C)(C)C	0.941	0.326	0.659	0.549	0.534	0.966	0.165	0.97	0.967	0.994	0.869
Compound_324	Cc1cc(c(cc1C(C)(C)C)O)C(C)(C)C	0.76	0.051	0.871	0.607	0.439	0.898	0.064	0.99	0.839	0.988	0.5
Compound_325	CC(c1cc(SSc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.756	0.455	0.457	0.579	0.63	0.816	0.133	0.516	0.857	0.999	0.846
Compound_326	Cc1cc(c(c(c1O)C(C)(C)C)C)C(C)(C)C	0.612	0.051	0.386	0.504	0.478	0.92	0.124	0.834	0.902	0.988	0.5
Compound_327	CC(c1cc(COCc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.57	0.52	0.171	0.554	0.919	0.995	0.418	0.668	0.9	0.95	0.897
Compound_328	CC1=CC(C)(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)CC(C1O)(C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.828	0.678	0.046	0.625	0.861	0.997	0.059	0.992	0.794	0.997	0.947
Compound_329	CC(c1cc(Cc2c(C)cc(c(c2C)Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C)cc(c1O)C(C)(C)C)(C)C	0.66	0.511	0.386	0.52	0.937	0.995	0.088	0.931	0.95	0.998	0.946
Compound_330	CC(c1cc(O)c(cc1C(C)(C)C)C(C)(C)C)C	0.802	0.051	0.802	0.613	0.559	0.932	0.125	0.974	0.752	0.988	0.5
Compound_331	CN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.288	0.282	0.037	0.265	0.045	0.905	0.026	0.945	0.8	0.025	0.053
Compound_332	C=CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.782	0.188	0.509	0.645	0.484	0.971	0.073	0.998	0.656	0.991	0.362
Compound_333	Ic1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.821	0.16	0.645	0.636	0.574	0.69	0.152	0.773	0.471	0.99	0.571
Compound_334	[O-]c1ccc(cc1C(C)(C)C)C(C)(C)C	0.759	0.105	0.796	0.568	0.225	0.875	0.113	0.357	0.895	0.997	0.845
Compound_335	O=P(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.584	0.524	0.915	0.58	0.871	0.525	0.747	0.877	0.772	0.991	0.73
Compound_336	CC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c1ccccc1	0.802	0.452	0.329	0.562	0.827	0.993	0.469	0.349	0.766	0.997	0.9
Compound_337	Oc1c(Cc2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C	0.809	0.441	0.342	0.56	0.819	0.993	0.369	0.478	0.906	0.982	0.651
Compound_338	Brc1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.891	0.149	0.645	0.636	0.673	0.689	0.311	0.773	0.765	0.996	0.844
Compound_339	CCCCCCCCSc1nc(Nc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)nc(n1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.831	0.687	0.562	0.505	0.836	0.821	0.532	0.7	0.547	0.98	0.721
Compound_340	[O-]c1ccc(cc1C(C)(C)C)C(C)(C)C	0.759	0.105	0.796	0.568	0.225	0.875	0.113	0.357	0.895	0.997	0.845
Compound_341	Oc1ccc(c(c1C(C)(C)C)C(C)(C)C)C	0.684	0.051	0.687	0.572	0.532	0.817	0.049	0.921	0.85	0.988	0.5
Compound_342	Cc1cc(Sc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)Oc1nc2nc(n1)Oc1c(Sc3c(O2)c(cc(c3)C)C(C)(C)C)cc(cc1C(C)(C)C)C	0.524	0.639	0.804	0.633	0.733	0.664	0.291	0.462	0.79	0.889	0.652
Compound_343	CC(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.716	0.322	0.158	0.599	0.383	0.956	0.078	0.986	0.949	0.994	0.942
Compound_344	CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.763	0.477	0.312	0.554	0.772	0.996	0.056	0.961	0.925	0.996	0.888
Compound_345	Cl[13c]1[13c](Cl)[13cH][13c]2[13c]([13c]1Cl)O[13c]1[13c](O2)[13c](Cl)[13c]([13c]([13c]1Cl)Cl)Cl	0.937	0.517	0.953	0.548	0.536	0.678	0.95	0.948	0.93	0.988	0.986
Compound_346	Cl[13c]1[13cH][13c]2[13c]([13c]([13c]1Cl)Cl)oc1[13c]2[13c](Cl)[13c]([13c]([13c]1Cl)Cl)Cl	0.821	0.543	0.994	0.591	0.759	0.723	0.973	0.989	0.733	0.999	0.991
Compound_347	Cl[13c]1[13cH][13c]2o[13c]3[13c]([13c]2[13c]([13c]1Cl)Cl)[13c](Cl)[13c]([13c]([13c]3Cl)Cl)Cl	0.791	0.543	0.994	0.586	0.762	0.721	0.966	0.982	0.733	0.999	0.991
Compound_348	Cl[13c]1[13cH][13c]2O[13c]3[13c](O[13c]2[13cH][13c]1Cl)[13c](Cl)[13c]([13c]([13c]3Cl)Cl)Cl	0.942	0.517	0.953	0.548	0.536	0.678	0.95	0.948	0.931	0.988	0.986
Compound_349	Cl[13c]1[13cH][13c]2c([13cH][13c]1Cl)o[13c]1[13c]2[13c](Cl)[13c]([13c]([13c]1Cl)Cl)Cl	0.714	0.543	0.994	0.58	0.764	0.722	0.961	0.982	0.739	0.999	0.991
Compound_350	Cl[13c]1[13c](Cl)[13cH][13c]2[13c]([13c]1Cl)O[13c]1[13c](O2)[13c](Cl)[13c]([13c]([13cH]1)Cl)Cl	0.951	0.517	0.953	0.548	0.374	0.812	0.95	0.948	0.943	0.988	0.986
Compound_351	Cl[13c]1[13cH][13c]2[13c]([13c]([13c]1Cl)Cl)o[13c]1[13c]2[13c](Cl)[13c]([13c]([13cH]1)Cl)Cl	0.731	0.543	0.994	0.58	0.711	0.787	0.961	0.982	0.696	0.999	0.991
Compound_352	Cl[13c]1[13c](Cl)[13cH][13c]2[13c]([13c]1Cl)O[13c]1[13c](O2)[13cH][13c]([13c]([13c]1Cl)Cl)Cl	0.95	0.517	0.953	0.548	0.374	0.812	0.95	0.948	0.943	0.988	0.986
Compound_353	Cl[13c]1[13cH][13c]2o[13c]3[13c]([13c]2[13c]([13c]1Cl)Cl)[13c](Cl)[13c]([13c]([13cH]3)Cl)Cl	0.84	0.543	0.992	0.592	0.794	0.826	0.931	0.97	0.696	0.999	0.991
Compound_354	Cl[13c]1[13cH][13c]2O[13c]3[13c](O[13c]2[13cH][13c]1Cl)[13cH][13c]([13c]([13c]3Cl)Cl)Cl	0.958	0.517	0.953	0.548	0.374	0.812	0.95	0.948	0.951	0.988	0.986
Compound_355	Cl[13c]1[13cH][13c]2[13c]([13cH][13c]1Cl)o[13c]1[13c]2[13c](Cl)[13c]([13c]([13cH]1)Cl)Cl	0.773	0.543	0.992	0.586	0.797	0.828	0.922	0.97	0.725	0.999	0.991
Compound_356	Cl[13c]1[13cH][13c]2[13c]([13c]([13c]1Cl)Cl)o[13c]1[13c]2[13cH][13c](Cl)[13c]([13c]1Cl)Cl	0.831	0.543	0.994	0.609	0.648	0.782	0.973	0.989	0.696	0.999	0.991
Compound_357	Cl[13c]1[13cH][13c]2[13c]([13cH][13c]1Cl)o[13c]1[13c]2[13cH][13c](Cl)[13c]([13c]1Cl)Cl	0.712	0.543	0.994	0.599	0.652	0.784	0.961	0.982	0.724	0.999	0.991
Compound_358	Cl[13c]1[13cH][13c]2O[13c]3[13cH][13c](Cl)[13c]([13cH][13c]3O[13c]2[13cH][13c]1Cl)Cl	0.895	0.517	0.966	0.698	0.872	0.898	0.881	0.972	0.956	0.988	0.986
Compound_359	Cl[13c]1[13cH][13c]2[13c]([13cH][13c]1Cl)o[13c]1[13c]2[13cH][13c](Cl)[13c]([13cH]1)Cl	0.718	0.543	0.992	0.613	0.675	0.809	0.906	0.97	0.725	0.999	0.991
Compound_360	C(=O)([2H])[2H]	0.873	0.216	0.435	0.504	0.449	0.283	0.791	0.4	0.901	0.998	0.893
Compound_361	Clc1cc2oc3c(c2c(c1Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl	0.791	0.543	0.994	0.586	0.762	0.721	0.966	0.982	0.733	0.999	0.991
Compound_362	c1([2H])c([2H])c([2H])c2c3c1c([2H])c([2H])c(c3C(=C2[2H])[2H])[2H]	0.949	0.744	0.852	0.493	0.277	0.089	0.982	0.936	0.981	0.998	0.944
Compound_363	Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_364	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_365	CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC	0.899	0.859	0.93	0.843	0.833	0.31	0.966	0.993	0.42	0.998	0.492
Compound_366	Cl[C@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.694	0.68	0.905	0.453	0.986	0.533	0.229	0.999	0.601
Compound_367	N#C[C@@H](c1ccc(c(c1)Oc1ccccc1)F)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_368	N#C[C@H](c1ccc(c(c1)Oc1ccccc1)F)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_369	N#C[C@H](c1ccc(c(c1)Oc1ccccc1)F)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_370	N#C[C@@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_371	Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_372	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_373	N#CC(c1cccc(c1)Oc1ccccc1)CC(=O)[C@H](c1ccc(cc1)Cl)C(C)C	0.868	0.608	0.653	0.619	0.975	0.792	0.881	0.82	0.377	0.225	0.859
Compound_374	Clc1cc2c(cc1Cl)c(Cl)c(c(c2Cl)Cl)Cl	0.984	0.446	0.992	0.616	0.753	0.739	0.997	0.986	0.975	1.0	0.967
Compound_375	Clc1cc2c(c(c1Cl)Cl)cc(c(c2Cl)Cl)Cl	0.991	0.446	0.992	0.616	0.71	0.552	0.997	0.986	0.986	1.0	0.967
Compound_376	c1([2H])c([2H])c([2H])c(c2c1c([2H])c(c(c2[2H])[2H])[2H])[2H]	0.988	0.649	0.914	0.503	0.163	0.106	0.995	0.911	0.994	1.0	0.952
Compound_377	Clc1cc(Cl)c2c(c1)c(Cl)c(c(c2)Cl)Cl	0.991	0.446	0.975	0.617	0.707	0.514	0.997	0.978	0.994	1.0	0.967
Compound_378	Clc1cc2c(cc1Cl)cc(c(c2Cl)Cl)Cl	0.989	0.446	0.992	0.634	0.707	0.514	0.997	0.991	0.993	1.0	0.967
Compound_379	CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.801	0.267	0.884	0.722	0.801	0.098	0.978	0.957	0.354	0.995	0.864
Compound_380	CC(=C[C@@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.801	0.267	0.884	0.722	0.801	0.098	0.978	0.957	0.354	0.995	0.864
Compound_381	CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC	0.595	0.073	0.731	0.747	0.488	0.102	0.98	0.996	0.395	0.972	0.586
Compound_382	CCCN(C[C@@H]1CO[C@@]2(O1)CC[C@H](CC2)C(C)(C)C)CC	0.138	0.514	0.03	0.197	0.26	0.458	0.016	0.152	0.354	0.795	0.231
Compound_383	CCCN(C[C@H]1CO[C@@]2(O1)CC[C@@H](CC2)C(C)(C)C)CC	0.138	0.514	0.03	0.197	0.26	0.458	0.016	0.152	0.354	0.795	0.231
Compound_384	O=C([C@@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2	0.564	0.85	0.565	0.773	0.193	0.414	0.987	0.991	0.428	0.988	0.282
Compound_385	O[C@H]1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2	0.447	0.513	0.067	0.167	0.205	0.641	0.002	0.026	0.16	0.143	0.053
Compound_386	O=C1O[C@@H]2CCN3(=O)[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O	0.453	0.829	0.046	0.755	0.258	0.292	0.061	0.724	0.316	0.627	0.427
Compound_387	CC=C1CC2(CO)OC2(C)C(=O)OCC2=CCN3C2C(OC1=O)CC3	0.519	0.836	0.038	0.212	0.588	0.368	0.03	0.422	0.275	0.023	0.357
Compound_388	O=C1OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@]2(C[C@H]([C@@]1(C)O)C)O[C@H]2C	0.463	0.88	0.127	0.236	0.602	0.245	0.166	0.705	0.254	0.209	0.392
Compound_389	CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3(=O)[C@H]2[C@H](OC1=O)CC3	0.478	0.839	0.193	0.712	0.339	0.314	0.051	0.978	0.312	0.283	0.413
Compound_390	O=C1O[C@@H]2CCN3(=O)[C@@H]2C(=CC3)COC(=O)[C@]([C@@H](C[C@]21O[C@H]2C)C)(C)O	0.526	0.839	0.07	0.767	0.656	0.35	0.166	0.978	0.264	0.283	0.413
Compound_391	OCc1cc(O)c2c(c1)[C@@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1	0.829	0.564	0.882	0.672	0.902	0.935	0.948	0.893	0.622	0.294	0.337
Compound_392	C1CC[C@@H]2N(C1)C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2	0.85	0.38	0.044	0.06	0.347	0.642	0.001	0.119	0.762	0.877	0.126
Compound_393	COC1C(O)C(OC1n1cnc2c1ncnc2N)CO	0.71	0.667	0.116	0.349	0.069	0.13	0.004	0.89	0.441	0.026	0.893
Compound_394	COc1cc(O)cc2c1C(=O)CC(O2)c1ccccc1	0.396	0.798	0.431	0.549	0.964	0.948	0.954	0.047	0.431	0.045	0.825
Compound_395	O=CC=Cc1ccc(c(c1)OC)O	0.889	0.302	0.705	0.781	0.511	0.195	0.343	0.929	0.801	0.856	0.505
Compound_396	COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)O	0.786	0.637	0.336	0.734	0.896	0.277	0.99	0.06	0.747	0.823	0.881
Compound_397	CC(=C)C1CCC2(C(=C(C)C(=O)CC2)C1)C	0.982	0.758	0.227	0.491	0.322	0.164	0.148	0.931	0.411	1.0	0.581
Compound_398	CC(=CCNc1ncnc2c1nc[nH]2)CO	0.262	0.582	0.213	0.333	0.223	0.744	0.001	0.663	0.405	0.134	0.365
Compound_399	CCC[C@H]1CCCCN1	0.13	0.152	0.022	0.266	0.016	0.074	0.0	0.081	0.796	0.279	0.015
Compound_400	COc1ccc2c3c1OC1C3(CCN(C2)C)C=CC(C1)O	0.683	0.679	0.79	0.085	0.348	0.459	0.003	0.542	0.058	0.007	0.373
Compound_401	OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C2)C	0.335	0.492	0.783	0.491	0.053	0.593	0.163	0.022	0.415	0.073	0.366
Compound_402	OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C2)CO	0.444	0.403	0.836	0.511	0.078	0.566	0.163	0.014	0.417	0.093	0.201
Compound_403	OCCc1c(C)cc2c(c1C)C(=O)[C@](C2)(C)CO	0.443	0.585	0.974	0.505	0.122	0.709	0.081	0.165	0.403	0.249	0.346
Compound_404	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(O)nc2N	0.674	0.654	0.083	0.454	0.334	0.566	0.006	0.976	0.328	0.059	0.95
Compound_405	OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.744	0.762	0.004	0.631	0.911	0.748	0.178	0.31	0.504	0.499	0.274
Compound_406	OC[C@@H]1C[C@@]2([C@H](C1=O)[C@](C)(O)C1(C(=C2)C)CC1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.745	0.742	0.003	0.63	0.911	0.748	0.178	0.216	0.492	0.681	0.131
Compound_407	OC[C@H]1O[C@@H](OC2=C(C)C3([C@@]([C@@H]4C2C[C@@](C4=O)(C)CO)(C)O)CC3)[C@@H]([C@H]([C@@H]1O)O)O	0.673	0.782	0.003	0.418	0.819	0.744	0.435	0.134	0.376	0.823	0.174
Compound_408	C/C=C\1/C[C@@]2(CO)O[C@@]2(C)C(=O)OCC2=CCN3(=O)[C@H]2[C@H](OC1=O)CC3	0.555	0.799	0.029	0.711	0.644	0.463	0.03	0.946	0.286	0.02	0.352
Compound_409	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C	0.5	0.699	0.053	0.155	0.157	0.415	0.1	0.73	0.391	0.129	0.627
Compound_410	C/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CCC(=CCC1)C	0.889	0.58	0.201	0.585	0.559	0.437	0.96	0.982	0.677	1.0	0.916
Compound_411	O=C1CCC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.793	0.556	0.161	0.153	0.197	0.641	0.002	0.1	0.319	0.885	0.215
Compound_412	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C	0.042	0.469	0.006	0.038	0.019	0.024	0.001	0.008	0.073	0.003	0.074
Compound_413	O[C@@H]1CCN2(=O)[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.498	0.669	0.066	0.647	0.109	0.244	0.002	0.862	0.239	0.193	0.401
Compound_414	CO[C@@H]([C@](C(=O)OCC1=CCN2(=O)[C@H]1[C@@H](O)CC2)(C(C)C)O)C	0.512	0.669	0.042	0.619	0.143	0.289	0.006	0.99	0.247	0.054	0.387
Compound_415	C=C1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@H]([C@H]1C)C)(C)O	0.386	0.856	0.035	0.197	0.261	0.18	0.051	0.828	0.274	0.652	0.517
Compound_416	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	0.447	0.729	0.054	0.227	0.102	0.154	0.006	0.295	0.263	0.407	0.664
Compound_417	C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3(=O)[C@H]2[C@H](OC1=O)CC3	0.489	0.829	0.094	0.703	0.371	0.37	0.047	0.995	0.292	0.076	0.464
Compound_418	O=C1OC2CCN3(=O)C2C(=CC3)COC(=O)C(C(C(C1=C)C)C)(C)O	0.442	0.829	0.019	0.755	0.346	0.298	0.051	0.995	0.285	0.595	0.467
Compound_419	C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@]3(=O)[C@H]2[C@H](OC1=O)CC3	0.517	0.749	0.281	0.708	0.34	0.291	0.014	0.937	0.299	0.018	0.346
Compound_420	COC(=O)C[C@@](C(=O)O[C@@H]1C(=C[C@]23[C@@H]1c1cc4OCOc4cc1CCN3CCC2)OC)(CCCC(O)(C)C)O	0.791	0.97	0.721	0.653	0.905	0.898	0.221	0.469	0.95	0.298	0.918
Compound_421	O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.655	0.512	0.509	0.226	0.189	0.57	0.003	0.159	0.672	0.941	0.165
Compound_422	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.433	0.679	0.071	0.297	0.067	0.129	0.001	0.189	0.215	0.101	0.321
Compound_423	CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O)C	0.47	0.723	0.604	0.684	0.962	0.978	0.905	0.988	0.434	0.317	0.372
Compound_424	COc1cc2CCN3[C@@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC	0.165	0.788	0.383	0.124	0.035	0.564	0.004	0.004	0.463	0.03	0.459
Compound_425	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)/C	0.487	0.699	0.068	0.209	0.121	0.243	0.022	0.371	0.372	0.407	0.623
Compound_426	C/C=C(\C(=O)O[C@@H]1CCN2(=O)[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)/C	0.519	0.699	0.056	0.751	0.223	0.442	0.022	0.875	0.39	0.381	0.413
Compound_427	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2(=O)[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C	0.531	0.699	0.055	0.676	0.275	0.605	0.1	0.987	0.409	0.128	0.391
Compound_428	COc1cc2CCN([C@H]3c2c(c1OC)c1ccccc1C3)C	0.111	0.804	0.725	0.329	0.068	0.68	0.011	0.413	0.235	0.088	0.128
Compound_429	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)O)C	0.445	0.669	0.043	0.241	0.084	0.167	0.007	0.71	0.247	0.024	0.377
Compound_430	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	0.188	0.744	0.533	0.319	0.248	0.299	0.011	0.805	0.178	0.117	0.185
Compound_431	Oc1cc(O)c2c(c1)oc(=O)cc2c1ccccc1	0.942	0.837	0.957	0.848	0.952	0.935	0.998	0.945	0.874	0.534	0.859
Compound_432	CCCCCC(CC(=O)CCc1ccc(c(c1)OC)O)O	0.869	0.428	0.048	0.469	0.527	0.114	0.312	0.724	0.156	0.803	0.571
Compound_433	O=c1cccc2n1C[C@@H]1CNC[C@H]2C1	0.344	0.564	0.01	0.291	0.191	0.401	0.0	0.05	0.453	0.041	0.317
Compound_434	Oc1ccc(cc1)c1oc2cc(O[C@@H]3OC(C)[C@@H]([C@@H](C3O)O)O)cc(c2c(=O)c1O[C@@H]1OC(C)[C@@H](C([C@@H]1O)O)O)O	0.74	0.813	0.157	0.698	0.854	0.74	0.794	0.76	0.728	0.053	0.583
Compound_435	CC(=C)CS(=O)(=O)[O-]	0.768	0.086	0.331	0.395	0.03	0.01	0.97	0.912	0.409	0.997	0.331
Compound_436	O=C(CC(S(=O)(=O)[O-])C(=O)OC1CCCCC1)OC1CCCCC1	0.458	0.531	0.076	0.381	0.177	0.499	0.784	0.885	0.417	0.784	0.278
Compound_437	O=C1C=C(C)OS(=O)(=O)[N-]1	0.725	0.466	0.266	0.43	0.131	0.072	0.948	0.851	0.253	0.701	0.4
Compound_438	[O-]S(=O)(=O)c1ccc2c(c1)cccc2	0.961	0.537	0.98	0.498	0.627	0.39	0.982	0.991	0.504	0.989	0.165
Compound_439	O=C1[N-]S(=O)(=O)c2c1cccc2	0.468	0.395	0.676	0.451	0.036	0.477	0.885	0.16	0.147	0.119	0.171
Compound_440	C=CS(=O)(=O)[O-]	0.822	0.121	0.23	0.363	0.064	0.084	0.974	0.95	0.443	0.998	0.267
Compound_441	O=C(Nc1ccccc1)NC1CCCCC1	0.777	0.395	0.9	0.727	0.447	0.715	0.031	0.617	0.468	0.846	0.143
Compound_442	CN1C(=O)N(C2C1N(C)C(=O)N2C)C	0.135	0.322	0.27	0.471	0.085	0.12	0.002	0.07	0.481	0.178	0.342
Compound_443	CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(O)C1O)CC3)C	0.957	0.88	0.055	0.584	0.941	0.691	0.111	0.965	0.667	0.845	0.549
Compound_444	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(O)C(=O)C)C)C	0.975	1.0	0.009	0.899	0.798	0.865	0.02	0.119	0.044	0.418	0.065
Compound_445	O=C(c1ccc(cc1)C(=O)OCCOC(=O)c1ccc(cc1)C(=O)O)OCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c1ccccc1	0.298	0.465	0.463	0.39	0.973	0.975	0.965	0.084	0.279	0.339	0.86
Compound_446	OC(=O)OC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c1ccc(cc1)C(=O)O	0.256	0.548	0.683	0.4	0.908	0.989	0.965	0.077	0.292	0.106	0.358
Compound_447	O=C(c1ccc(cc1)C(=O)OCCOC(=O)c1ccccc1)OCCOC(=O)c1ccc(cc1)C(=O)O	0.298	0.465	0.463	0.39	0.914	0.982	0.965	0.084	0.279	0.339	0.86
Compound_448	OC(=O)OC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c1ccc(cc1)C(=O)O	0.256	0.548	0.683	0.4	0.527	0.952	0.976	0.077	0.292	0.106	0.358
Compound_449	O=C(c1ccc(cc1)C(=O)O)OCCOC(=O)c1ccccc1	0.298	0.465	0.463	0.39	0.485	0.892	0.976	0.084	0.279	0.339	0.86
Compound_450	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CCC2=O)C)C	0.943	1.0	0.031	0.917	0.897	0.944	0.006	0.56	0.066	0.932	0.103
Compound_451	OC(=O)OC(=O)c1ccc(cc1)C(=O)O	0.476	0.094	0.152	0.35	0.078	0.417	0.799	0.096	0.228	0.006	0.266
Compound_452	O=C(c1ccc(cc1)C(=O)OCCOC(=O)c1ccc(cc1)C(=O)O)OCCOC(=O)c1ccc(cc1)C(=O)O	0.331	0.491	0.683	0.388	0.914	0.982	0.965	0.139	0.27	0.27	0.911
Compound_453	O=C(c1ccc(cc1)C(=O)O)OCCOC(=O)c1ccc(cc1)C(=O)O	0.331	0.491	0.683	0.388	0.527	0.913	0.976	0.139	0.27	0.27	0.911
Compound_454	c1ccc2c(c1)[nH]c1c2cncc1	0.706	0.72	0.921	0.481	0.445	0.714	0.026	0.186	0.97	0.928	0.901
Compound_455	CCCCCCCCCCCCCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.204	0.406	0.002	0.264	0.012	0.246	0.387	0.714	0.4	0.197	0.452
Compound_456	O=C1C=CC2(C(=C1Cl)CCC1C2CCC2(C1CCC2(C)O)C)C	0.97	1.0	0.075	0.853	0.998	0.968	0.466	0.939	0.401	0.994	0.23
Compound_457	COCOCN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC	0.662	0.443	0.208	0.37	0.146	0.164	0.096	0.521	0.764	0.914	0.444
Compound_458	OC(=O)C(OC1(F)OC(OC1(F)OC(F)(F)F)(F)F)(F)F	0.566	0.203	0.183	0.475	0.329	0.123	0.074	0.995	0.345	0.72	0.536
Compound_459	CC1OC(=O)c2c(C1C)c(C)c(c(c2O)C(=O)O)O	0.685	0.586	0.238	0.476	0.549	0.943	0.673	0.027	0.545	0.345	0.487
Compound_460	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC	0.547	0.039	0.038	0.405	0.172	0.309	0.907	0.279	0.419	0.924	0.272
Compound_461	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.385	0.684	0.756	0.294	0.163	0.642	0.433
Compound_462	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_463	OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)(C)C	0.866	1.0	0.01	0.974	0.899	0.911	0.273	0.363	0.245	0.225	0.104
Compound_464	CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C	0.143	0.142	0.003	0.235	0.181	0.175	0.01	0.257	0.517	0.069	0.083
Compound_465	CCCCOCCOCCOCCOCCOCCOCCO	0.694	0.095	0.063	0.588	0.185	0.646	0.809	0.551	0.344	0.887	0.568
Compound_466	OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N	0.052	0.464	0.047	0.684	0.64	0.532	0.951	0.039	0.066	0.079	0.301
Compound_467	Cc1cc(O)cc(c1S(=O)C)C	0.505	0.334	0.821	0.599	0.124	0.387	0.458	0.628	0.488	0.996	0.473
Compound_468	O=CNC(Cc1ccccc1)C	0.031	0.11	0.017	0.158	0.003	0.299	0.013	0.293	0.417	0.603	0.038
Compound_469	NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C	0.115	0.3	0.016	0.183	0.063	0.434	0.002	0.013	0.264	0.001	0.266
Compound_470	O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N	0.113	0.297	0.005	0.178	0.096	0.328	0.003	0.013	0.368	0.003	0.154
Compound_471	OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3	0.907	0.669	0.033	0.58	0.909	0.7	0.053	0.879	0.27	0.419	0.231
Compound_472	C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.986	1.0	0.058	0.76	0.924	0.898	0.037	0.967	0.735	0.997	0.328
Compound_473	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCC	0.497	0.264	0.237	0.576	0.698	0.927	0.912	0.98	0.417	0.846	0.401
Compound_474	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCC	0.497	0.264	0.237	0.576	0.698	0.927	0.912	0.98	0.417	0.846	0.401
Compound_475	CCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.558	0.889	0.921	0.98	0.417	0.846	0.401
Compound_476	CCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.605	0.919	0.921	0.98	0.417	0.846	0.401
Compound_477	COCNc1nc(nc(n1)N(COC)COC)N(COC)COC	0.553	0.408	0.263	0.379	0.131	0.057	0.001	0.106	0.765	0.345	0.428
Compound_478	OCC(OCC(OCC(OCC(OC(=O)C(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C	0.592	0.073	0.021	0.466	0.106	0.364	0.761	0.198	0.147	0.509	0.246
Compound_479	OCC(OCC(OCC(OCC(OCC(OC(=O)C(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C	0.592	0.073	0.021	0.466	0.106	0.364	0.761	0.198	0.147	0.509	0.246
Compound_480	OCC(OCC(OC(=O)C(OCC(OCC(OCC(O)C)C)C)C)C)C	0.592	0.073	0.021	0.466	0.106	0.364	0.761	0.198	0.147	0.509	0.246
Compound_481	CCC(C1NC(=O)C(=C1O)C(=O)C)C	0.12	0.443	0.067	0.332	0.014	0.077	0.007	0.456	0.422	0.457	0.404
Compound_482	COCN(c1nc(nc(n1)N)N(COC)COC)COC	0.527	0.381	0.167	0.378	0.11	0.045	0.001	0.08	0.765	0.116	0.433
Compound_483	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.385	0.684	0.756	0.294	0.163	0.642	0.433
Compound_484	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.385	0.684	0.756	0.294	0.163	0.642	0.433
Compound_485	CC1=C[C@@H](O)[C@H]2C[C@@H]1C2(C)C	0.928	0.445	0.093	0.492	0.719	0.607	0.072	0.947	0.443	0.966	0.892
Compound_486	CC1=CCC2CC1C2(C)C	0.985	0.348	0.432	0.436	0.648	0.579	0.438	0.929	0.692	0.998	0.849
Compound_487	CC(=C)[C@H]1CC=C(C(=O)C1)C	0.933	0.367	0.549	0.639	0.113	0.047	0.447	0.991	0.715	0.997	0.874
Compound_488	COC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.952	0.475	0.858	0.811	0.345	0.212	0.863	0.909	0.534	0.111	0.7
Compound_489	C=CC(=C)C[C@@H](C=C(C)C)O	0.751	0.13	0.291	0.679	0.24	0.06	0.063	0.98	0.372	0.712	0.906
Compound_490	COC[C@@H](N(c1c(C)cccc1CC)C(=O)CCl)C	0.952	0.789	0.561	0.785	0.917	0.098	0.993	0.991	0.511	0.315	0.759
Compound_491	CCCCC=CCCCCCCCCC/C=C/COC(=O)C	0.999	0.021	0.242	0.618	0.798	0.618	1.0	0.99	0.968	1.0	0.928
Compound_492	CC[C@H]1CC[C@]2(O1)CCCO2	0.918	0.355	0.046	0.436	0.146	0.126	0.996	0.427	0.553	0.996	0.973
Compound_493	CCC/C=C/CCCCCCCOC(=O)C	0.982	0.009	0.235	0.728	0.526	0.06	0.998	0.986	0.905	1.0	0.942
Compound_494	C[S+](C)C	0.785	0.118	0.36	0.502	0.284	0.081	0.954	0.515	0.821	0.994	0.901
Compound_495	CCCCC=CCCCCCCCCC=CCCOC(=O)C	0.985	0.009	0.278	0.68	0.685	0.362	1.0	0.987	0.957	1.0	0.942
Compound_496	COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C	0.879	0.937	0.062	0.551	0.959	0.943	0.836	0.995	0.947	0.872	0.087
Compound_497	CCCCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O	0.505	0.184	0.161	0.327	0.017	0.017	0.929	0.062	0.361	0.938	0.462
Compound_498	OC(=O)CC1=C(O)C(=O)c2c(C1=O)cccc2	0.282	0.432	0.148	0.222	0.067	0.53	0.952	0.234	0.436	0.165	0.416
Compound_499	OC(=O)CCCC1=C(O)C(=O)c2c(C1=O)cccc2	0.32	0.432	0.315	0.197	0.045	0.612	0.955	0.18	0.307	0.084	0.178
Compound_500	OC(=O)CCCCCC1=C(O)C(=O)c2c(C1=O)cccc2	0.357	0.544	0.315	0.209	0.084	0.708	0.815	0.156	0.239	0.456	0.302
Compound_501	OC(=O)C(=O)c1ccccc1C(=O)O	0.083	0.102	0.169	0.325	0.032	0.061	0.955	0.099	0.37	0.187	0.41
Compound_502	CCCCCCCCCCCCC1=C(O)C(=O)c2c(C1=O)cccc2	0.437	0.594	0.598	0.528	0.058	0.802	0.833	0.584	0.526	0.405	0.835
Compound_503	NC(=O)N=C(N(Cc1ccc(nc1)Cl)C)C	0.072	0.302	0.103	0.393	0.016	0.209	0.02	0.13	0.395	0.005	0.022
Compound_504	CC(=O)N(Cc1ccc(nc1)Cl)C	0.121	0.307	0.459	0.558	0.014	0.133	0.043	0.411	0.185	0.05	0.046
Compound_505	CNCc1ccc(nc1)Cl	0.207	0.139	0.249	0.32	0.021	0.079	0.002	0.193	0.229	0.03	0.014
Compound_506	CC(=N)N(Cc1ccc(nc1)Cl)C	0.126	0.332	0.146	0.538	0.021	0.477	0.023	0.448	0.46	0.031	0.004
Compound_507	OC(=O)c1cccc2c1snn2	0.485	0.597	0.716	0.349	0.594	0.609	0.884	0.082	0.64	0.21	0.5
Compound_508	OC(=O)c1c(O)ccc2c1snn2	0.377	0.639	0.584	0.364	0.684	0.668	0.108	0.251	0.413	0.273	0.618
Compound_509	Oc1ccc(cc1)Oc1ccc(c(c1Cl)N)N(=O)=O	0.916	0.736	0.953	0.69	0.841	0.612	0.972	0.993	0.674	0.997	0.985
Compound_510	Nc1ccc(c(c1N)Cl)O	0.779	0.503	0.915	0.616	0.68	0.34	0.925	0.971	0.881	0.878	0.986
Compound_511	Nc1ccc(c(c1N)Cl)Oc1ccccc1	0.795	0.776	0.944	0.672	0.751	0.642	0.956	0.99	0.937	0.996	1.001
Compound_512	O=N(=O)c1ccc(c(c1N)Cl)O	0.931	0.175	0.919	0.632	0.785	0.391	0.953	0.994	0.645	0.916	0.956
Compound_513	Oc1cc(O)nc(n1)N	0.462	0.142	0.897	0.526	0.539	0.513	0.059	0.158	0.531	0.022	0.359
Compound_514	COc1nc(NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C)nc(c1O)O	0.418	0.445	0.489	0.325	0.515	0.629	0.038	0.293	0.388	0.221	0.535
Compound_515	COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C	0.473	0.334	0.608	0.3	0.518	0.595	0.014	0.342	0.379	0.151	0.5
Compound_516	COc1nc(NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C)nc(c1O)OC	0.365	0.461	0.305	0.304	0.256	0.521	0.038	0.348	0.388	0.118	0.517
Compound_517	Fc1ccc2c(c1)N(C(C2=O)(C)O)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C	0.529	0.518	0.952	0.66	0.289	0.524	0.774	0.258	0.35	0.769	0.438
Compound_518	Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)C	0.769	0.396	0.939	0.62	0.54	0.639	0.921	0.528	0.924	0.802	0.606
Compound_519	OCc1c(Br)c2c(n1S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C)cc(cc2)F	0.545	0.448	0.934	0.626	0.546	0.648	0.672	0.55	0.314	0.234	0.591
Compound_520	Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1n[nH]cn1	0.707	0.328	0.94	0.465	0.589	0.649	0.634	0.558	0.924	0.713	0.625
Compound_521	OCc1c(Br)c2c(n1S(=O)(=O)c1n[nH]cn1)cc(cc2)F	0.645	0.398	0.898	0.429	0.592	0.65	0.179	0.337	0.702	0.023	0.601
Compound_522	Fc1ccc(c(c1)NS(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C)C(=O)O	0.306	0.378	0.76	0.441	0.24	0.525	0.109	0.221	0.363	0.402	0.586
Compound_523	CN=CNc1ccc(cc1C)C	0.351	0.288	0.099	0.392	0.055	0.36	0.041	0.1	0.704	0.512	0.174
Compound_524	COC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)C	0.088	0.209	0.057	0.405	0.105	0.183	0.014	0.27	0.206	0.021	0.227
Compound_525	COC(=O)NS(=O)(=O)c1ccccc1	0.157	0.347	0.049	0.213	0.069	0.431	0.048	0.319	0.452	0.068	0.206
Compound_526	CO[C]1CC(O[C]2[C](C)C=CC=C(C=O)[C@]3(O)C(O)C(O)C(C[C]3C(=O)O[C]3C[C](C/C=C\2/C)O[C@]2(C3)C=C[C]([C](O2)[C](CC)C)C)C)O[C]([C]1OC1C[C](OC)[C]([C](O1)C)O)C	0.714	0.88	0.086	0.523	0.932	0.946	0.957	0.995	0.764	0.748	0.848
Compound_527	CO[C@H]1CC(O[C@H]2[C@@H](C)/C=C/C=C/3\C(=O)OC4[C@]3(O)[C@@H](CC(C4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1OC1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	0.718	0.948	0.096	0.514	0.961	0.95	0.985	0.997	0.817	0.807	0.396
Compound_528	CO[C@H]1CC(O[C@H]2[C@@H](C)/C=C/C=C/3\C(O)OC4[C@]3(O)[C@@H](CC(C4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1OC1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	0.731	0.937	0.068	0.518	0.974	0.944	0.974	0.998	0.738	0.887	0.168
Compound_529	CO[C@H]1CC(O[C@H]2[C@@H](C)/C=C/C=C/3\C(O)OC4[C@]3(O)C(=CC(C4O)(C)O)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1OC1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	0.81	0.937	0.044	0.5	0.989	0.927	0.976	0.998	0.82	0.887	0.163
Compound_530	CO[C@H]1CC(O[C@H]2[C@@H](C)/C=C/C=C/3\C(=O)OC4[C@]3(O)C(=CC([C@H]4O)(C)O)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1OC1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	0.81	0.948	0.063	0.496	0.98	0.919	0.976	0.997	0.798	0.807	0.41
Compound_531	C/C=C(/C(=O)O[C@H]1C[C@@H](O)[C@@]2([C@H]3[C@@]41CO[C@]([C@H]4C([C@@H]([C@@H]3OC2)O)(C)C(C)C)(O)C(=O)OC)C(=O)OC)\C	0.893	0.839	0.072	0.615	0.893	0.787	0.767	0.996	0.547	0.723	0.958
Compound_532	COC(=O)[C@@]1(O)OC[C@]23[C@@H]1[C@]1(C)[C@H](O[C@]4([C@]1(O)C1OC5C(C4C1)(O)C=CO5)C)[C@H]1[C@H]3[C@@]([C@@H](C[C@@H]2OC(=O)/C(=C/C)/C)O)(CO1)C(=O)OC	0.863	0.89	0.031	0.576	0.825	0.655	0.863	0.996	0.596	0.818	0.97
Compound_533	COC=C(c1ccccc1Oc1ncnc(c1)O)C(=O)OO	0.606	0.726	0.822	0.587	0.542	0.618	0.226	0.911	0.783	0.246	0.493
Compound_534	N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1CC(=O)O	0.274	0.553	0.665	0.405	0.71	0.87	0.945	0.552	0.462	0.08	0.5
Compound_535	CO/C=C(\c1ccccc1Oc1ncnc(c1)O)/C(=O)OC	0.693	0.875	0.801	0.589	0.556	0.582	0.226	0.911	0.818	0.085	0.5
Compound_536	CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)N)/C(=O)O	0.431	0.77	0.473	0.295	0.516	0.711	0.95	0.023	0.754	0.022	0.421
Compound_537	FC(c1n[nH]cc1C(=O)O)F	0.268	0.416	0.293	0.397	0.69	0.558	0.354	0.948	0.637	0.012	0.774
Compound_538	Nc1ccccc1c1cc(F)c(c(c1)F)F	0.95	0.593	0.998	0.854	0.535	0.478	0.997	0.888	0.798	0.992	0.623
Compound_539	CCC(C(=O)O)Oc1ccc(c(c1)C(F)(F)F)F	0.241	0.217	0.292	0.532	0.527	0.016	0.428	0.592	0.331	0.767	0.115
Compound_540	OC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C	0.247	0.585	0.357	0.27	0.298	0.113	0.947	0.056	0.241	0.068	0.125
Compound_541	CC(N1C(=O)c2cc(Br)ccc2NS1(=O)=O)C	0.423	0.482	0.93	0.657	0.571	0.651	0.004	0.532	0.397	0.356	0.443
Compound_542	CC(N1C(=O)c2cc(Cl)ccc2NS1(=O)=O)C	0.459	0.482	0.93	0.657	0.229	0.596	0.052	0.532	0.277	0.309	0.354
Compound_543	CC(N1C(=O)c2cccc(c2NS1(=O)=O)Br)C	0.385	0.482	0.492	0.601	0.589	0.423	0.004	0.355	0.37	0.356	0.443
Compound_544	CC(N1C(=O)c2cccc(c2NS1(=O)=O)Cl)C	0.456	0.482	0.492	0.601	0.153	0.414	0.054	0.355	0.27	0.309	0.354
Compound_545	CC(N1C(=O)c2ccccc2N(S1(=O)=O)C)C	0.376	0.575	0.535	0.507	0.077	0.225	0.013	0.048	0.289	0.487	0.243
Compound_546	Fc1ccc2c(c1)sc(n2)O	0.959	0.546	0.881	0.524	0.563	0.627	0.956	0.78	0.956	0.966	0.625
Compound_547	Fc1ccc2c(c1)sc(n2)C(=O)C	0.827	0.746	0.994	0.474	0.425	0.715	0.979	0.922	0.93	0.835	0.598
Compound_548	Fc1ccc2c(c1)sc(n2)C(N)C	0.596	0.714	0.934	0.409	0.358	0.767	0.101	0.43	0.88	0.922	0.288
Compound_549	CC(=O)NC(c1nc2c(s1)cc(cc2)F)C	0.497	0.646	0.979	0.427	0.321	0.756	0.093	0.46	0.75	0.628	0.381
Compound_550	COc1ccc(cc1CC(OC(=O)c1cnccn1)C)c1ccccc1	0.13	0.732	0.855	0.65	0.5	0.396	0.031	0.664	0.666	0.006	0.645
Compound_551	COc1ccc(cc1/N=N/C(=O)OC(C)C)c1ccccc1	0.698	0.819	0.903	0.751	0.598	0.61	0.975	0.885	0.629	0.855	0.5
Compound_552	COc1cc(c2ccccc2)c2c(c1)[nH]c1c2c(cc(c1)OC)c1ccccc1	0.753	0.794	0.96	0.669	0.966	0.714	0.972	0.593	0.937	0.796	0.981
Compound_553	COc1cc(cc(c1)c1ccccc1)N(c1cc(OC)cc(c1)c1ccccc1)NC(=O)OC(C)C	0.531	0.795	0.991	0.673	0.898	0.755	0.979	0.899	0.459	0.787	0.57
Compound_554	COC(=O)c1cc(ccc1N)Oc1ccc(cc1Cl)Cl	0.653	0.643	0.965	0.714	0.558	0.776	0.997	0.535	0.695	0.81	0.817
Compound_555	Clc1ccc(c(c1)Cl)Oc1ccc(c(c1)C(=O)O)N	0.522	0.725	0.568	0.522	0.622	0.78	0.993	0.517	0.568	0.738	0.961
Compound_556	O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccc(cc1)O	0.841	0.439	0.733	0.797	0.994	0.907	0.929	0.979	0.366	0.966	0.846
Compound_557	OC(=O)c1cccc(c1C)c1ccccc1	0.646	0.364	0.472	0.433	0.253	0.343	0.991	0.399	0.702	0.576	0.27
Compound_558	OCc1cccc(c1C)c1ccccc1	0.687	0.363	0.623	0.735	0.129	0.246	0.888	0.879	0.55	0.591	0.74
Compound_559	O=Cc1cccc(c1C)c1ccccc1	0.972	0.476	0.634	0.761	0.071	0.424	0.991	0.531	0.915	0.947	0.906
Compound_560	Cl/C(=C\C1C(C1(C)C)C(=O)O)/C(F)(F)F	0.617	0.349	0.083	0.507	0.826	0.042	0.992	0.915	0.286	0.987	0.898
Compound_561	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)C(=O)O	0.314	0.457	0.123	0.467	0.131	0.568	0.022	0.033	0.322	0.092	0.372
Compound_562	NC(C(=O)O)Cn1cncn1	0.093	0.243	0.061	0.332	0.028	0.152	0.0	0.045	0.161	0.0	0.404
Compound_563	Oc1cccc(c1c1ccc(c(c1)O)Cl)NC(=O)c1cccnc1Cl	0.595	0.736	0.987	0.779	0.566	0.565	0.912	0.826	0.389	0.276	0.789
Compound_564	Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1	0.607	0.734	0.914	0.739	0.225	0.322	0.938	0.077	0.185	0.496	0.479
Compound_565	Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1O	0.641	0.717	0.922	0.719	0.649	0.519	0.955	0.564	0.541	0.659	0.742
Compound_566	Clc1ccc(cc1)c1ccccc1NC(=O)c1ccc(nc1Cl)O	0.815	0.716	0.996	0.786	0.755	0.557	0.985	0.863	0.56	0.616	0.787
Compound_567	Brc1ccc(cc1)c1ccc(cc1)C(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.535	0.462	0.258	0.655	0.384	0.655	0.995	0.948	0.436	0.64	0.917
Compound_568	Brc1ccc(cc1)c1ccc(cc1)CCC(c1ccccc1)CC(c1ccccc1)O	0.623	0.491	0.479	0.609	0.356	0.675	0.907	0.769	0.376	0.951	0.619
Compound_569	Brc1ccc(cc1)c1ccc(cc1)C(CC(c1ccccc1)CC(c1ccccc1)O)O	0.545	0.567	0.517	0.661	0.381	0.671	0.916	0.608	0.377	0.533	0.729
Compound_570	NC(=O)c1cc(Br)c(c(c1)Br)O	0.808	0.374	0.089	0.404	0.665	0.796	0.744	0.021	0.417	0.171	0.494
Compound_571	NC(=O)c1ccc(c(c1)Br)O	0.817	0.374	0.075	0.352	0.667	0.666	0.651	0.012	0.449	0.171	0.494
Compound_572	OC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.839	0.83	0.962	0.89	0.254	0.754	0.027	0.419	0.434	0.111	0.613
Compound_573	COC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.861	0.91	0.976	0.877	0.245	0.76	0.026	0.806	0.499	0.183	0.766
Compound_574	O=C1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.846	0.858	0.946	0.908	0.22	0.738	0.03	0.634	0.451	0.447	0.745
Compound_575	O=C1CCC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.82	0.828	0.972	0.873	0.298	0.737	0.131	0.885	0.432	0.2	0.533
Compound_576	O=C1C=CC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.718	0.779	0.892	0.837	0.333	0.849	0.044	0.795	0.662	0.054	0.641
Compound_577	CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)N	0.869	0.771	0.911	0.516	0.158	0.646	0.002	0.83	0.357	0.103	0.525
Compound_578	CCCCc1c(C)nc(nc1O)N	0.571	0.355	0.797	0.457	0.5	0.523	0.01	0.554	0.523	0.165	0.229
Compound_579	CC(N1/C(=N/C(C)(C)C)/S(=O)CN(C1=O)c1ccccc1)C	0.479	0.641	0.206	0.445	0.172	0.618	0.215	0.028	0.375	0.452	0.283
Compound_580	CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C	0.825	0.365	0.841	0.567	0.221	0.49	0.005	0.373	0.308	0.052	0.338
Compound_581	CC(NC(=O)Nc1ccccc1)C	0.771	0.256	0.941	0.697	0.169	0.199	0.014	0.436	0.245	0.178	0.221
Compound_582	CC(NC1=NC(=O)N(CS1)c1ccccc1)(C)C	0.347	0.697	0.348	0.497	0.129	0.709	0.031	0.091	0.316	0.135	0.17
Compound_583	CC(N1C(=O)SCN(C1=O)c1ccccc1)(C)C	0.646	0.698	0.485	0.549	0.365	0.582	0.057	0.113	0.289	0.554	0.243
Compound_584	O=C(c1cc(ccc1Cl)n1c(=O)cc(n(c1=O)C)C(F)(F)F)OC(C(=O)O)(C)C	0.88	0.52	0.065	0.447	0.647	0.863	0.787	0.62	0.338	0.392	0.271
Compound_585	O=N(=O)c1cc(cc(c1N)N(=O)=O)C(C)(C)C	0.964	0.352	0.912	0.59	0.731	0.061	0.885	0.947	0.816	0.896	0.836
Compound_586	OC1CC2C(=O)NC(=O)C2CC1O	0.076	0.461	0.02	0.298	0.14	0.485	0.475	0.174	0.577	0.062	0.089
Compound_587	O=C1NC(=O)C2C1CC1OC1C2	0.28	0.479	0.07	0.222	0.436	0.608	0.702	0.152	0.648	0.446	0.368
Compound_588	SC(Cl)(Cl)Cl	0.855	0.104	0.135	0.573	0.662	0.289	0.862	0.872	0.311	1.0	0.91
Compound_589	CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1	0.335	0.414	0.411	0.58	0.104	0.14	0.643	0.333	0.315	0.091	0.197
Compound_590	CC1OC(=O)N(C1=O)c1ccccc1	0.783	0.482	0.55	0.496	0.085	0.104	0.992	0.206	0.212	0.272	0.058
Compound_591	Oc1ccc(cc1)N1C(=O)OC(C1=O)C	0.686	0.443	0.469	0.55	0.388	0.153	0.782	0.163	0.314	0.258	0.045
Compound_592	C=CS(=O)(=O)CC(=O)Nc1ccccc1	0.56	0.264	0.885	0.72	0.105	0.19	0.522	0.994	0.449	0.696	0.371
Compound_593	OC(C(=O)O)C(=O)Nc1ccccc1	0.465	0.424	0.436	0.405	0.161	0.128	0.747	0.309	0.161	0.16	0.371
Compound_594	O=S1CCOC(=C1C(=O)N)C	0.347	0.543	0.012	0.327	0.117	0.088	0.265	0.196	0.481	0.313	0.192
Compound_595	NC(=O)C1=C(C)OCCS1(=O)=O	0.357	0.605	0.016	0.333	0.119	0.122	0.361	0.089	0.441	0.433	0.146
Compound_596	O=C(C1SCCOC1(C)O)Nc1ccccc1	0.227	0.685	0.784	0.627	0.537	0.44	0.775	0.211	0.376	0.011	0.21
Compound_597	O=C(C(=O)Nc1ccccc1)SCCOC(=O)C	0.499	0.455	0.892	0.65	0.559	0.24	0.939	0.247	0.295	0.469	0.249
Compound_598	CSC(=O)C(=O)Nc1ccccc1	0.71	0.381	0.931	0.628	0.255	0.105	0.948	0.793	0.199	0.658	0.347
Compound_599	O=C(C1S(=O)CCOC1(C)O)Nc1ccccc1	0.195	0.656	0.409	0.552	0.296	0.297	0.239	0.224	0.389	0.252	0.244
Compound_600	OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl	0.812	0.421	0.087	0.511	0.377	0.609	0.881	0.47	0.441	0.025	0.482
Compound_601	OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl	0.572	0.441	0.053	0.513	0.438	0.695	0.701	0.696	0.426	0.035	0.627
Compound_602	OCc1nn(c(=O)n1C(F)F)c1cc(CC(C(=O)O)Cl)c(cc1F)Cl	0.839	0.421	0.063	0.547	0.569	0.566	0.922	0.661	0.452	0.028	0.595
Compound_603	OC(=O)C(Cc1ccc(c(c1)n1nc(n(c1=O)C(F)F)C)F)(Cl)Cl	0.785	0.479	0.087	0.532	0.485	0.552	0.899	0.692	0.48	0.036	0.357
Compound_604	OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O	0.524	0.423	0.076	0.535	0.488	0.665	0.566	0.94	0.429	0.3	0.539
Compound_605	Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O	0.581	0.408	0.098	0.537	0.46	0.716	0.466	0.871	0.443	0.123	0.289
Compound_606	OC(=O)C=Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C	0.745	0.387	0.193	0.565	0.567	0.734	0.699	0.795	0.511	0.159	0.27
Compound_607	OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C	0.834	0.369	0.156	0.505	0.405	0.607	0.939	0.638	0.46	0.01	0.208
Compound_608	FC(n1c(C)n[nH]c1=O)F	0.094	0.247	0.159	0.504	0.035	0.04	0.05	0.427	0.669	0.094	0.483
Compound_609	COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C	0.59	0.442	0.744	0.692	0.577	0.641	0.626	0.332	0.466	0.19	0.401
Compound_610	Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1	0.395	0.699	0.788	0.475	0.305	0.573	0.501	0.502	0.867	0.511	0.245
Compound_611	Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C	0.593	0.705	0.941	0.518	0.599	0.681	0.135	0.535	0.854	0.065	0.189
Compound_612	CNC(=O)c1cc(n[nH]1)Br	0.335	0.256	0.722	0.357	0.584	0.608	0.07	0.427	0.706	0.175	0.438
Compound_613	Clc1cc(C)c(c(c1)C(=O)N)NC(=O)c1cc(nn1c1ncccc1Cl)Br	0.612	0.61	0.408	0.504	0.64	0.673	0.835	0.143	0.734	0.071	0.284
Compound_614	Clc1cc(C)c2c(c1)c(=O)[nH]c(n2)c1cc(nn1c1ncccc1Cl)Br	0.583	0.715	0.9	0.505	0.648	0.676	0.869	0.374	0.865	0.096	0.254
Compound_615	Clc1c(Cl)c(C(=O)N)c(c(c1Cl)C(=O)N)Cl	0.649	0.346	0.083	0.365	0.5	0.644	0.978	0.168	0.522	0.584	0.529
Compound_616	N#Cc1c(Cl)c(C#N)c(c(c1S(=O)(=O)O)Cl)Cl	0.55	0.443	0.723	0.427	0.733	0.656	0.983	0.939	0.444	0.85	0.119
Compound_617	N#Cc1cc(Cl)c(c(c1Cl)C#N)Cl	0.964	0.165	0.953	0.687	0.802	0.417	0.995	0.995	0.837	0.994	0.918
Compound_618	N#Cc1c(Cl)cc(c(c1Cl)C#N)Cl	0.96	0.165	0.738	0.71	0.809	0.121	0.99	0.933	0.861	0.994	0.918
Compound_619	N#Cc1c(SCC(C(=O)NCC(=O)O)NOC(=O)CCC(C(=O)O)N)c(Cl)c(c(c1Cl)C#N)Cl	0.13	0.365	0.005	0.401	0.724	0.657	0.003	0.801	0.387	0.319	0.559
Compound_620	N#Cc1c(S)c(Cl)c(c(c1Cl)C#N)Cl	0.797	0.307	0.639	0.69	0.724	0.66	0.996	0.979	0.787	0.998	0.936
Compound_621	N#Cc1c(Cl)c(Cl)c(c(c1S(=O)(=O)O)C(=O)N)Cl	0.586	0.408	0.297	0.318	0.716	0.647	0.564	0.241	0.41	0.114	0.2
Compound_622	N#Cc1cccc(c1Cl)C#N	0.962	0.165	0.763	0.659	0.678	0.114	0.989	0.895	0.814	0.994	0.918
Compound_623	N#Cc1cc(Cl)cc(c1)C#N	0.941	0.24	0.889	0.671	0.559	0.137	0.996	0.829	0.819	0.988	0.798
Compound_624	N#Cc1cc(Cl)c(c(c1Cl)C(=O)N)Cl	0.893	0.272	0.631	0.443	0.649	0.471	0.989	0.899	0.646	0.768	0.817
Compound_625	N#Cc1c(O)c(Cl)c(c(c1Cl)C(=O)N)Cl	0.724	0.378	0.1	0.511	0.858	0.702	0.743	0.244	0.604	0.258	0.883
Compound_626	N#Cc1c(Cl)c(C(=O)N)c(c(c1S(=O)(=O)O)Cl)Cl	0.437	0.408	0.39	0.39	0.723	0.654	0.564	0.269	0.427	0.114	0.2
Compound_627	N#Cc1c(Cl)c(Cl)c2c(c1Cl)c(=O)[nH]s2	0.417	0.775	0.642	0.495	0.791	0.569	0.976	0.822	0.805	0.986	0.742
Compound_628	N#Cc1c(Cl)c(Cl)c2c(c1Cl)c(=O)[nH]s2=O	0.438	0.767	0.24	0.418	0.784	0.572	0.969	0.932	0.776	0.968	0.579
Compound_629	N#Cc1c(Cl)c(cc(c1Cl)Cl)C(=O)N	0.833	0.272	0.631	0.424	0.656	0.477	0.988	0.879	0.522	0.768	0.817
Compound_630	N#Cc1c(Cl)c(C(=O)N)c(c(c1Cl)Cl)O	0.655	0.413	0.1	0.474	0.856	0.689	0.726	0.245	0.5	0.278	0.856
Compound_631	N#Cc1c(Cl)c(C(=O)N)c(c(c1Cl)Cl)Cl	0.763	0.272	0.099	0.416	0.793	0.601	0.981	0.239	0.562	0.768	0.817
Compound_632	COc1ccc(cc1Cl)NC(=O)OC(C)C	0.777	0.456	0.978	0.793	0.736	0.574	0.58	0.644	0.562	0.678	0.16
Compound_633	CCS(=O)C(CC1CC(=C(C(=O)C1)C(=N)CC)O)C	0.665	0.525	0.123	0.434	0.212	0.132	0.344	0.953	0.311	0.646	0.514
Compound_634	CCSC(CC1CC(=O)c2c(C1)oc(n2)CC)C	0.571	0.624	0.045	0.481	0.386	0.599	0.611	0.65	0.29	0.988	0.828
Compound_635	CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C	0.573	0.637	0.035	0.431	0.339	0.605	0.845	0.763	0.388	0.985	0.25
Compound_636	CCS(=O)C(CC1CC(=O)c2c(C1)oc(n2)CC)C	0.567	0.592	0.034	0.43	0.34	0.601	0.658	0.36	0.317	0.959	0.415
Compound_637	Cl/C=C/CON=C(C1=C(O)CC(CC1=O)CC(S(=O)CC)C)CC	0.609	0.627	0.085	0.566	0.843	0.641	0.868	0.936	0.377	0.912	0.628
Compound_638	Fc1cc(Cl)c[nH]c1=O	0.438	0.517	0.204	0.521	0.269	0.063	0.811	0.046	0.667	0.492	0.543
Compound_639	O=C(c1ccccc1Cl)NNC(=O)c1ccccc1Cl	0.738	0.64	0.697	0.492	0.388	0.881	0.974	0.401	0.639	0.973	0.423
Compound_640	Clc1ccccc1c1nnc([nH][nH]1)c1ccccc1Cl	0.724	0.675	0.797	0.482	0.519	0.898	0.613	0.11	0.976	0.055	0.193
Compound_641	Clc1ccccc1/C=N/NC(=O)c1ccccc1Cl	0.609	0.641	0.955	0.503	0.311	0.798	0.481	0.316	0.44	0.964	0.705
Compound_642	OC(=O)c1cc(O)c(cc1Cl)O	0.66	0.127	0.242	0.481	0.846	0.421	0.634	0.704	0.505	0.983	0.408
Compound_643	CN(C(=O)N)Cc1cnc(s1)Cl	0.182	0.354	0.172	0.295	0.071	0.41	0.137	0.03	0.498	0.039	0.247
Compound_644	Cc1ccc(cc1)c1[nH]c(nc1Cl)C(=O)N	0.247	0.531	0.625	0.419	0.441	0.769	0.806	0.038	0.463	0.12	0.177
Compound_645	Cc1ccc(cc1)c1[nH]c(nc1Cl)C(=O)O	0.252	0.484	0.694	0.474	0.506	0.71	0.771	0.622	0.449	0.019	0.169
Compound_646	CCCC(=N)C1=C(O)CC(CC1=O)C1CCCSC1	0.738	0.518	0.015	0.408	0.401	0.222	0.229	0.771	0.304	0.025	0.235
Compound_647	CCCC(=N)C1=C(O)CC(CC1=O)C1CCCS(=O)C1	0.708	0.571	0.08	0.473	0.215	0.147	0.044	0.934	0.341	0.07	0.26
Compound_648	CCCC(=N)C1=C(O)CC(CC1=O)C1CCCS(=O)(=O)C1	0.708	0.591	0.067	0.427	0.2	0.182	0.044	0.951	0.365	0.254	0.218
Compound_649	CCCc1nc2c(o1)CC(CC2=O)C1CCCSC1	0.543	0.535	0.01	0.417	0.392	0.6	0.267	0.082	0.337	0.414	0.5
Compound_650	CCON=C(C1=C(O)CC(CC1=O)C1CCCS(=O)C1)CCC	0.631	0.602	0.02	0.491	0.376	0.427	0.257	0.836	0.355	0.673	0.446
Compound_651	CCON=C(C1=C(O)CC(CC1=O)C1CCCS(=O)(=O)C1)CCC	0.631	0.661	0.016	0.464	0.356	0.468	0.257	0.886	0.377	0.475	0.389
Compound_652	CCCc1nc2c(o1)CC(CC2=O)C1CCCS(=O)C1	0.548	0.559	0.024	0.477	0.346	0.602	0.309	0.182	0.361	0.252	0.224
Compound_653	CCCc1nc2c(o1)CC(CC2=O)C1CCCS(=O)(=O)C1	0.554	0.629	0.019	0.431	0.345	0.605	0.541	0.424	0.373	0.498	0.184
Compound_654	N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F	0.593	0.5	0.029	0.459	0.512	0.448	0.623	0.82	0.38	0.188	0.571
Compound_655	NC(=N)c1c(F)c(F)ccc1C(F)(F)F	0.854	0.397	0.441	0.568	0.279	0.412	0.75	0.992	0.428	0.177	0.165
Compound_656	O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O	0.28	0.459	0.111	0.334	0.549	0.632	0.217	0.977	0.398	0.186	0.547
Compound_657	NC(=O)c1c(F)c(F)ccc1C(F)(F)F	0.774	0.351	0.2	0.389	0.141	0.23	0.951	0.962	0.329	0.389	0.287
Compound_658	OC(=O)c1ccc(c(c1)Oc1ccccc1)F	0.684	0.509	0.627	0.503	0.704	0.382	0.994	0.608	0.802	0.844	0.735
Compound_659	CONC1(C#N)C(=O)NC(=O)N1CC	0.064	0.344	0.11	0.275	0.214	0.106	0.001	0.371	0.4	0.003	0.689
Compound_660	CCNC(=O)NC(=O)C(=O)O	0.032	0.088	0.121	0.215	0.046	0.006	0.001	0.088	0.203	0.048	0.073
Compound_661	CONC1(C(=O)N)C(=O)NC(=O)N1CC	0.072	0.346	0.021	0.191	0.092	0.1	0.001	0.035	0.341	0.003	0.6
Compound_662	CON=C1C(=O)NC(=O)N1CC	0.055	0.246	0.135	0.312	0.048	0.058	0.0	0.1	0.48	0.044	0.476
Compound_663	ON=C(C(=O)O)C#N	0.535	0.294	0.066	0.219	0.425	0.118	0.688	0.844	0.457	0.487	0.877
Compound_664	CCN1C(=O)NC(=O)C1=O	0.06	0.228	0.184	0.244	0.036	0.011	0.0	0.045	0.257	0.068	0.256
Compound_665	CON=C1C(=O)NC(=O)N(C1=N)CC	0.059	0.259	0.252	0.338	0.02	0.514	0.0	0.107	0.538	0.009	0.43
Compound_666	CO/N=C(/C(=O)O)\C#N	0.571	0.24	0.032	0.267	0.229	0.072	0.91	0.829	0.494	0.776	0.881
Compound_667	Cc1nc(Nc2ccccc2)nc(c1O)C1CC1	0.711	0.658	0.717	0.507	0.476	0.688	0.103	0.98	0.531	0.828	0.875
Compound_668	Cc1cc(nc(n1)O)C1CC1	0.74	0.285	0.304	0.54	0.606	0.574	0.02	0.902	0.201	0.424	0.164
Compound_669	CC(C(=O)O)Nc1nc(N)nc(n1)N	0.075	0.268	0.307	0.132	0.035	0.006	0.0	0.006	0.453	0.014	0.206
Compound_670	CN1CN(C(=S)S1)C	0.443	0.3	0.073	0.499	0.154	0.638	0.057	0.72	0.912	0.992	0.521
Compound_671	CN1CN(C(=S)S1=O)C	0.464	0.37	0.051	0.514	0.222	0.499	0.047	0.058	0.835	0.989	0.315
Compound_672	BrC(=CC1[C@H](C1(C)C)C(=O)O)Br	0.589	0.339	0.083	0.423	0.509	0.07	0.96	0.975	0.346	0.994	0.851
Compound_673	Cc1cc(O)nc(n1)C(O)(C)C	0.416	0.191	0.345	0.497	0.635	0.543	0.015	0.298	0.141	0.372	0.073
Compound_674	COP(=O)(OC=C(Cl)Cl)O	0.913	0.361	0.064	0.382	0.199	0.232	0.837	0.679	0.33	0.734	0.657
Compound_675	CCOc1cc(NC(=O)OC(C)C)c(cc1OCC)N(=O)=O	0.632	0.522	0.854	0.499	0.625	0.491	0.53	0.598	0.416	0.619	0.646
Compound_676	CCOc1cc(ccc1OCC)NC(=O)OC(C(=O)O)C	0.346	0.459	0.497	0.641	0.195	0.256	0.409	0.605	0.21	0.062	0.5
Compound_677	CCOc1cc(ccc1OCC)N1C(=O)OC(C1=O)C	0.437	0.559	0.764	0.551	0.208	0.254	0.77	0.751	0.269	0.709	0.573
Compound_678	Clc1ccc(cc1)Oc1ccc(c(c1)C(=O)O)Cl	0.54	0.551	0.502	0.462	0.827	0.722	0.915	0.397	0.485	0.909	0.924
Compound_679	Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1	0.813	0.665	0.82	0.9	0.548	0.84	0.138	0.626	0.499	0.124	0.804
Compound_680	Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O	0.581	0.662	0.835	0.818	0.542	0.785	0.018	0.042	0.329	0.091	0.71
Compound_681	NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F	0.536	0.342	0.171	0.501	0.209	0.081	0.52	0.109	0.204	0.027	0.777
Compound_682	OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F	0.43	0.421	0.247	0.54	0.385	0.079	0.96	0.897	0.181	0.058	0.816
Compound_683	COCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O	0.386	0.568	0.159	0.291	0.087	0.339	0.191	0.055	0.406	0.111	0.366
Compound_684	OCC(=O)N(c1c(C)cccc1C)CC(=O)O	0.295	0.324	0.02	0.189	0.039	0.019	0.363	0.014	0.198	0.011	0.079
Compound_685	COCCN(c1c(C)cccc1C)C(=O)CO	0.466	0.541	0.214	0.525	0.023	0.073	0.173	0.079	0.373	0.001	0.08
Compound_686	COCCN(c1c(C)cccc1C)C(=O)C	0.609	0.623	0.528	0.645	0.053	0.04	0.294	0.153	0.604	0.002	0.083
Compound_687	COCC(N(c1c(C)csc1C)C(=O)CO)C	0.371	0.591	0.032	0.383	0.136	0.45	0.274	0.115	0.39	0.003	0.451
Compound_688	COCC(N(c1c(C)csc1C)C(=O)CSCC(C(=O)O)O)C	0.29	0.57	0.039	0.308	0.197	0.415	0.31	0.09	0.316	0.153	0.418
Compound_689	COCC(N(c1c(C)csc1C)C(=O)CS(=O)(=O)[O-])C	0.31	0.544	0.131	0.372	0.142	0.478	0.523	0.581	0.402	0.644	0.4
Compound_690	COCC(N(c1c(C)csc1C)C(=O)CS(=O)CC(C(=O)O)O)C	0.297	0.566	0.016	0.269	0.138	0.371	0.248	0.262	0.332	0.721	0.308
Compound_691	COCC(N(c1c(C)csc1C)C(=O)CS(=O)CC(=O)O)C	0.285	0.505	0.028	0.245	0.198	0.394	0.766	0.154	0.419	0.66	0.272
Compound_692	COCC(N(c1c(C)csc1C)C(=O)CSCC(=O)O)C	0.289	0.529	0.021	0.32	0.286	0.467	0.852	0.068	0.418	0.131	0.411
Compound_693	COP(=S)(OC)O	0.867	0.065	0.051	0.274	0.247	0.048	0.92	0.012	0.798	0.7	0.605
Compound_694	CNC(=O)CSP(=S)(OC)O	0.105	0.089	0.034	0.225	0.06	0.024	0.003	0.03	0.392	0.01	0.291
Compound_695	O=[C]1=CC=CC2N1C[n+]1c2cccc1	0.476	0.619	0.034	0.225	0.162	0.801	0.002	0.03	0.628	0.632	0.58
Compound_696	O=C1NCC[n+]2c1cccc2	0.253	0.46	0.183	0.321	0.02	0.461	0.002	0.73	0.54	0.026	0.308
Compound_697	N#Cc1snc2c1sc1=c(s2)c(=O)c2c(c1=O)cccc2	0.566	0.76	0.975	0.615	0.701	0.753	0.345	0.935	0.856	0.496	0.823
Compound_698	O=c1c2sc3c(sc2c(=O)c2c1cccc2)c(=O)c1c(c3=O)cccc1	0.534	0.845	0.92	0.606	0.891	0.922	0.967	0.906	0.806	0.836	0.902
Compound_699	O=c1[nH]c(=O)c2c1sc1c(s2)c(=O)c2c(c1=O)cccc2	0.343	0.747	0.589	0.515	0.321	0.703	0.828	0.643	0.581	0.583	0.482
Compound_700	N#Cc1sc2c(c1C#N)C(=O)c1c(C2=O)cccc1	0.626	0.711	0.897	0.648	0.67	0.674	0.951	0.467	0.604	0.83	0.934
Compound_701	NC(=O)CC(C(=O)N)SC1=CC(=O)c2c(C1=O)cccc2	0.316	0.495	0.242	0.355	0.134	0.378	0.353	0.34	0.427	0.192	0.454
Compound_702	N#C/C(=C(\C#N)/O)/SC1=CC(=O)c2c(C1=O)cccc2	0.515	0.593	0.861	0.585	0.51	0.396	0.905	0.838	0.71	0.815	0.959
Compound_703	N#C/C=C(/SC1=C(O)C(=O)c2c(C1=O)cccc2)\C#N	0.437	0.614	0.549	0.624	0.296	0.335	0.984	0.917	0.535	0.459	0.952
Compound_704	N#Cc1sc2c(c1C(=O)N)C(=O)c1c(C2=O)cccc1	0.561	0.609	0.454	0.469	0.409	0.565	0.877	0.53	0.565	0.212	0.761
Compound_705	N#CC1=C(C#N)SC(=C(S1)C(=O)c1ccccc1O)C(=O)O	0.532	0.592	0.1	0.421	0.799	0.422	0.508	0.447	0.489	0.512	0.784
Compound_706	N#Cc1[nH]c2c(c1C#N)C(=O)c1c(C2=O)cccc1	0.623	0.698	0.835	0.596	0.744	0.644	0.549	0.756	0.867	0.338	0.994
Compound_707	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3O)O)O)C	0.858	0.94	0.013	0.48	0.905	0.898	0.067	0.995	0.927	0.447	0.219
Compound_708	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3=O)O)O)C	0.863	0.93	0.029	0.45	0.886	0.917	0.191	0.994	0.846	0.357	0.406
Compound_709	CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)N)C	0.89	0.93	0.042	0.483	0.911	0.92	0.057	0.992	0.952	0.405	0.167
Compound_710	CC[C@H]([C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](O2)CC=C(C)[C@@H](O)[C@@H](C)C=CC=C2[C@@]3([C@H](C(=O)O1)C=C(C)[C@H]([C@H]3OC2)O)O)C	0.898	0.917	0.155	0.628	0.965	0.891	0.621	0.98	0.94	0.984	0.056
Compound_711	CC[C@H](C1O[C@@]2(C=C[C@H]1C)C[C@H](O)C[C@H](O2)CC(=O)O)C	0.846	0.722	0.007	0.202	0.85	0.334	0.852	0.915	0.112	0.998	0.253
Compound_712	O=CN[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@@H]1[C@@H](OC)C[C@@H](O[C@H]1C)O[C@H]1[C@@H](C)/C=C/C=C/2\CO[C@H]3[C@]2(O)[C@@H](C=C([C@H]3O)C)C(=O)O[C@H]2C[C@@H](C/C=C/1\C)O[C@]1(C2)C=C[C@@H]([C@H](O1)[C@H](CC)C)C	0.913	0.93	0.162	0.47	0.867	0.936	0.067	0.997	0.918	0.581	0.274
Compound_713	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)N(C=O)C)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.896	0.93	0.099	0.568	0.878	0.952	0.064	0.998	0.853	0.575	0.299
Compound_714	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.862	0.937	0.062	0.549	0.935	0.91	0.836	0.995	0.947	0.872	0.087
Compound_715	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)N(N=O)C)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.836	0.87	0.12	0.514	0.919	0.926	0.021	0.998	0.901	0.663	0.476
Compound_716	Fc1ccc(cc1)C(C(c1ccccc1Cl)O)Cn1cncn1	0.331	0.66	0.636	0.789	0.25	0.823	0.172	0.08	0.496	0.039	0.633
Compound_717	Fc1ccc(cc1)/C(=C/c1ccccc1Cl)/Cn1cncn1	0.563	0.751	0.698	0.842	0.252	0.895	0.401	0.444	0.808	0.086	0.341
Compound_718	Fc1ccc(cc1)C(C(c1ccccc1Cl)O)(Cn1cncn1)O	0.431	0.736	0.605	0.809	0.295	0.752	0.072	0.095	0.388	0.031	0.782
Compound_719	OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C	0.108	0.33	0.419	0.435	0.374	0.484	0.164	0.036	0.289	0.856	0.176
Compound_720	OC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C	0.281	0.447	0.58	0.652	0.2	0.828	0.311	0.62	0.323	0.976	0.272
Compound_721	CCCSP(=O)(OCC)O	0.853	0.122	0.212	0.35	0.083	0.069	0.997	0.006	0.329	0.592	0.39
Compound_722	CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccc(cc1)O)(C)C	0.719	0.591	0.939	0.792	0.999	0.991	0.628	0.81	0.411	0.703	0.793
Compound_723	CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C	0.687	0.625	0.971	0.774	0.979	0.977	0.957	0.813	0.277	0.889	0.511
Compound_724	Oc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C	0.764	0.588	0.935	0.771	0.996	0.992	0.605	0.471	0.343	0.259	0.588
Compound_725	CCOc1ccc(cc1)C(COCc1cccc(c1)O)(C)C	0.483	0.566	0.945	0.78	0.963	0.967	0.767	0.851	0.136	0.498	0.661
Compound_726	CCOc1ccc(cc1)C(C(=O)O)(C)C	0.075	0.15	0.417	0.403	0.622	0.718	0.397	0.286	0.121	0.033	0.147
Compound_727	CCOc1ccc(cc1)C(C(=O)OCc1cccc(c1)Oc1ccccc1)(C)C	0.649	0.633	0.537	0.684	0.973	0.941	0.943	0.856	0.184	0.889	0.67
Compound_728	CCOc1ccc(cc1)C(CO)(C)C	0.198	0.138	0.327	0.627	0.596	0.893	0.762	0.73	0.21	0.381	0.311
Compound_729	CCOc1cc(ccc1C(CO)N)C(C)(C)C	0.045	0.248	0.35	0.465	0.058	0.286	0.015	0.518	0.454	0.006	0.208
Compound_730	CCOc1cc(ccc1C(COC(=O)c1c(F)cccc1F)N)C(C)(C)C	0.196	0.582	0.973	0.589	0.398	0.715	0.618	0.707	0.495	0.027	0.188
Compound_731	CCOc1cc(ccc1c1coc(n1)c1c(F)cccc1F)C(C)(C)C	0.372	0.546	0.989	0.789	0.732	0.635	0.98	0.898	0.528	0.566	0.809
Compound_732	CCOc1cc(ccc1NC(=O)c1c(F)cccc1F)C(C)(C)C	0.744	0.522	0.962	0.778	0.742	0.696	0.882	0.967	0.494	0.544	0.535
Compound_733	OC(=O)C(c1ccc(cc1)Oc1ccccc1)(O)C	0.097	0.647	0.141	0.274	0.792	0.308	0.987	0.027	0.156	0.464	0.639
Compound_734	Oc1ccc(cc1)Oc1ccc(cc1)C1(C)OC(=O)N(C1=O)Nc1ccccc1	0.475	0.709	0.644	0.762	0.953	0.9	0.949	0.97	0.409	0.062	0.583
Compound_735	O=C1OC(C(=O)N1Nc1ccccc1N(=O)=O)(C)c1ccc(cc1)Oc1ccccc1	0.571	0.715	0.802	0.75	0.866	0.732	0.98	0.985	0.405	0.138	0.722
Compound_736	O=C1OC(C(=O)N1Nc1ccc(cc1)N(=O)=O)(C)c1ccc(cc1)Oc1ccccc1	0.538	0.727	0.802	0.765	0.819	0.891	0.981	0.973	0.39	0.067	0.687
Compound_737	CSC1=NC(C(=O)N1N(N(N1C(=NC(C1=O)(C)c1ccccc1)SC)c1ccccc1)c1ccccc1)(C)c1ccccc1	0.493	0.732	0.858	0.654	0.548	0.742	0.978	0.394	0.392	0.791	0.392
Compound_738	O=C1N[C@@](C(=O)N1Nc1ccc(cc1)N(=O)=O)(C)c1ccccc1	0.399	0.586	0.5	0.526	0.245	0.706	0.988	0.951	0.393	0.126	0.805
Compound_739	O=C1N[C@@](C(=O)N1Nc1ccccc1N(=O)=O)(C)c1ccccc1	0.419	0.596	0.5	0.492	0.56	0.518	0.988	0.978	0.409	0.136	0.813
Compound_740	O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1	0.279	0.593	0.482	0.535	0.311	0.485	0.99	0.927	0.409	0.042	0.683
Compound_741	CSC1N[C@@](C(=O)N1Nc1ccc(cc1)N(=O)=O)(C)c1ccccc1	0.346	0.702	0.658	0.586	0.284	0.68	0.671	0.967	0.383	0.054	0.719
Compound_742	O=C1NC(=O)N[C@@]1(C)c1ccccc1	0.174	0.153	0.458	0.267	0.021	0.13	0.706	0.009	0.348	0.003	0.393
Compound_743	CSC1=N[C@@](C(=O)N1)(C)c1ccccc1	0.064	0.454	0.811	0.414	0.002	0.112	0.72	0.168	0.363	0.003	0.38
Compound_744	CSC1=N[C@@](C(=O)N1Nc1ccccc1N(=O)=O)(C)c1ccccc1	0.436	0.756	0.889	0.785	0.46	0.523	0.964	0.985	0.408	0.036	0.611
Compound_745	O=c1nc(OCCc2ccc(cc2)C(C)(C)C)c2c([nH]1)cccc2	0.369	0.754	0.914	0.491	0.842	0.939	0.977	0.366	0.736	0.155	0.209
Compound_746	OC(=O)C(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C	0.119	0.586	0.801	0.452	0.789	0.78	0.94	0.321	0.484	0.008	0.18
Compound_747	OC(=O)Cc1ccc(cc1)C(C(=O)O)(C)C	0.027	0.113	0.25	0.231	0.075	0.054	0.441	0.015	0.247	0.005	0.132
Compound_748	O=CNc1ccccc1C(=O)OCCc1ccc(cc1)C(C)(C)C	0.243	0.687	0.947	0.624	0.508	0.912	0.663	0.667	0.602	0.025	0.5
Compound_749	O=C(c1ccc(cc1)C(C)(C)C)COc1ncnc2c1cccc2	0.306	0.725	0.977	0.549	0.541	0.763	0.96	0.74	0.479	0.371	0.489
Compound_750	OCc1ccc(cc1)C(C(=O)O)(C)C	0.028	0.12	0.347	0.278	0.132	0.138	0.437	0.064	0.233	0.004	0.176
Compound_751	COC(=O)c1ccc(cc1)C(C(=O)O)(C)C	0.158	0.103	0.575	0.291	0.121	0.39	0.904	0.004	0.481	0.018	0.447
Compound_752	COC(=O)c1ccc(cc1)C(C(=O)OC)(C)C	0.54	0.128	0.466	0.622	0.117	0.316	0.88	0.115	0.594	0.19	0.474
Compound_753	OC(=O)C(c1ccc(cc1)CCOc1nc(=O)[nH]c2c1cccc2)(C)C	0.218	0.745	0.697	0.367	0.804	0.874	0.962	0.143	0.257	0.004	0.42
Compound_754	N#CC(c1ccccc1)(CC(c1ccc(cc1)Cl)O)Cn1cncn1	0.466	0.609	0.663	0.865	0.316	0.851	0.054	0.205	0.395	0.033	0.88
Compound_755	N#CC(c1ccccc1)(CC(=O)c1ccc(cc1)Cl)Cn1cncn1	0.595	0.632	0.753	0.92	0.297	0.851	0.531	0.728	0.417	0.045	0.926
Compound_756	Clc1ccc(cc1)C1OC(=N)C(C1)(Cn1cncn1)c1ccccc1	0.706	0.781	0.572	0.772	0.185	0.893	0.155	0.291	0.355	0.022	0.536
Compound_757	Clc1ccc(cc1)C1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1	0.638	0.741	0.753	0.813	0.251	0.806	0.45	0.651	0.425	0.01	0.739
Compound_758	Clc1c(ccc(c1Cl)NC(=O)C1(C)CCCCC1)Oc1cc(NC(=O)C2(C)CCCCC2)c(c(c1O)Cl)Cl	0.827	0.834	0.906	0.583	0.706	0.7	0.954	0.942	0.425	0.493	0.718
Compound_759	O=C(C1(C)CCCCC1)Nc1cc(c2cc(NC(=O)C3(C)CCCCC3)c(c(c2O)Cl)Cl)c(c(c1Cl)Cl)O	0.926	0.839	0.664	0.649	0.879	0.745	0.902	0.979	0.439	0.586	0.684
Compound_760	COP(=S)(Oc1ccc(c(c1)C)N)OC	0.774	0.489	0.987	0.748	0.579	0.078	0.93	0.741	0.817	0.354	0.671
Compound_761	O=Nc1ccc(cc1C)OP(=O)(OC)O	0.894	0.501	0.881	0.506	0.823	0.082	0.988	0.003	0.662	0.055	0.611
Compound_762	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)O	0.954	0.583	0.736	0.498	0.867	0.157	0.992	0.102	0.56	0.32	0.739
Compound_763	O=CNc1ccc(cc1C)OP(=S)(OC)OC	0.763	0.591	0.942	0.666	0.448	0.089	0.02	0.419	0.665	0.271	0.492
Compound_764	COP(=O)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.964	0.593	0.968	0.795	0.864	0.09	0.993	0.919	0.464	0.568	0.813
Compound_765	Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl	0.369	0.492	0.883	0.657	0.903	0.647	0.901	0.948	0.988	0.697	0.736
Compound_766	CCOC(=O)NCCOc1ccc(cc1)O	0.177	0.343	0.536	0.486	0.5	0.541	0.015	0.297	0.352	0.022	0.03
Compound_767	OCCOC(=O)NCCOc1ccc(cc1)Oc1ccc(cc1)O	0.256	0.484	0.094	0.464	0.848	0.827	0.111	0.394	0.383	0.231	0.068
Compound_768	NCCOc1ccc(cc1)Oc1ccccc1	0.339	0.472	0.307	0.562	0.5	0.804	0.309	0.025	0.311	0.004	0.073
Compound_769	OCCOc1ccc(cc1)Oc1ccccc1	0.692	0.477	0.476	0.562	0.798	0.753	0.942	0.416	0.246	0.371	0.443
Compound_770	OC(=O)COc1ccc(cc1)Oc1ccc(cc1)O	0.671	0.517	0.126	0.39	0.772	0.462	0.929	0.039	0.429	0.226	0.544
Compound_771	CCOC(=O)NCCOc1ccc(cc1)Oc1ccc(cc1)O	0.284	0.595	0.536	0.517	0.856	0.904	0.135	0.542	0.36	0.1	0.075
Compound_772	NCCOc1ccc(cc1)Oc1ccc(cc1)O	0.386	0.515	0.453	0.557	0.718	0.826	0.381	0.068	0.501	0.003	0.121
Compound_773	CC(CN1(=O)CCCCC1)Cc1ccc(cc1)C(C)(C)C	0.286	0.432	0.244	0.586	0.038	0.566	0.001	0.415	0.613	0.112	0.394
Compound_774	CC(Cc1ccc(cc1)C(C(=O)O)(C)C)CN1CCCCC1	0.01	0.414	0.091	0.108	0.021	0.068	0.001	0.019	0.226	0.048	0.031
Compound_775	OCC(c1ccc(cc1)CC(CN1CCCCC1)C)(C)C	0.025	0.283	0.121	0.107	0.011	0.247	0.001	0.103	0.286	0.011	0.051
Compound_776	CC(Cc1ccc(cc1)C(C)(C)C)CN1CCC(CC1)O	0.045	0.372	0.116	0.136	0.02	0.187	0.001	0.035	0.503	0.173	0.045
Compound_777	CC(C(=O)O)Cc1ccc(cc1)C(C)(C)C	0.377	0.104	0.088	0.295	0.143	0.068	0.091	0.1	0.456	0.028	0.035
Compound_778	OC(=O)C(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1	0.071	0.418	0.012	0.147	0.034	0.043	0.0	0.054	0.374	0.077	0.018
Compound_779	OCC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1	0.072	0.332	0.041	0.117	0.016	0.188	0.001	0.068	0.493	0.039	0.025
Compound_780	OCCNCC(Cc1ccc(cc1)C(C)(C)C)C	0.007	0.213	0.008	0.224	0.02	0.102	0.004	0.023	0.374	0.047	0.025
Compound_781	CC(Cc1ccc(cc1)C(C)(C)C)CNCC(O)C	0.009	0.185	0.004	0.242	0.019	0.064	0.004	0.014	0.385	0.033	0.016
Compound_782	Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C	0.183	0.457	0.802	0.635	0.062	0.228	0.001	0.255	0.466	0.037	0.197
Compound_783	CC(N1N=C(C(C1=O)(O)c1ccccc1C)N)C	0.093	0.312	0.101	0.414	0.006	0.24	0.008	0.016	0.346	0.013	0.289
Compound_784	N#Cc1c(C)nn(c1Oc1ccccc1)C	0.694	0.477	0.515	0.575	0.595	0.525	0.041	0.911	0.942	0.68	0.711
Compound_785	Cc1n[nH]c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1	0.398	0.611	0.103	0.472	0.871	0.753	0.972	0.464	0.601	0.369	0.749
Compound_786	ON=Cc1c(C)nn(c1Oc1ccccc1)C	0.519	0.455	0.677	0.5	0.435	0.577	0.029	0.833	0.835	0.813	0.538
Compound_787	OCc1ccc(cc1)CC(=O)OC(C)(C)C	0.112	0.145	0.11	0.543	0.158	0.183	0.315	0.88	0.444	0.012	0.289
Compound_788	OCc1ccc(cc1)C(=O)O	0.466	0.125	0.218	0.344	0.082	0.319	0.964	0.416	0.148	0.005	0.29
Compound_789	OC(=O)c1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C	0.477	0.646	0.013	0.355	0.729	0.718	0.723	0.095	0.662	0.482	0.581
Compound_790	Oc1ccc(cc1)Oc1n(C)nc(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)C	0.505	0.666	0.388	0.622	0.887	0.815	0.791	0.943	0.708	0.468	0.586
Compound_791	OCc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C	0.498	0.708	0.027	0.428	0.701	0.741	0.757	0.163	0.642	0.307	0.525
Compound_792	Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)O)Oc1ccccc1)C	0.416	0.658	0.055	0.34	0.806	0.783	0.765	0.814	0.347	0.424	0.508
Compound_793	O=Cc1c(C)nn(c1Oc1ccccc1)C	0.62	0.45	0.243	0.513	0.399	0.489	0.042	0.829	0.944	0.335	0.409
Compound_794	Cn1nc(c(c1Oc1ccccc1)C(=O)O)C	0.577	0.484	0.08	0.288	0.484	0.351	0.043	0.249	0.871	0.129	0.253
Compound_795	O=Cc1c([nH]nc1C)Oc1ccccc1	0.522	0.526	0.25	0.413	0.674	0.672	0.272	0.333	0.811	0.154	0.639
Compound_796	NC(=O)c1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.426	0.46	0.383	0.432	0.713	0.66	0.432	0.645	0.613	0.098	0.66
Compound_797	OC(=O)c1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.337	0.548	0.146	0.467	0.735	0.645	0.888	0.517	0.535	0.108	0.702
Compound_798	NC(=O)c1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.416	0.305	0.068	0.412	0.658	0.651	0.44	0.693	0.549	0.07	0.416
Compound_799	OC(=O)c1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.321	0.337	0.08	0.451	0.674	0.644	0.285	0.737	0.477	0.143	0.468
Compound_800	OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.313	0.401	0.085	0.473	0.683	0.643	0.743	0.762	0.535	0.061	0.567
Compound_801	COc1nc(NC(=O)N)nc(c1)OC	0.282	0.113	0.797	0.207	0.167	0.33	0.015	0.02	0.48	0.002	0.153
Compound_802	COc1cc(OC)nc(n1)Nc1ncccc1C(F)(F)F	0.293	0.4	0.986	0.6	0.204	0.413	0.38	0.286	0.433	0.113	0.616
Compound_803	COc1cc(OC)nc(n1)N(c1ncccc1C(F)(F)F)C(=O)N	0.275	0.472	0.205	0.312	0.168	0.484	0.227	0.744	0.399	0.0	0.654
Compound_804	NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.132	0.287	0.021	0.258	0.136	0.57	0.342	0.711	0.22	0.001	0.389
Compound_805	COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.315	0.281	0.136	0.316	0.484	0.634	0.533	0.907	0.283	0.08	0.473
Compound_806	Oc1ncccc1C(F)(F)F	0.505	0.253	0.566	0.637	0.368	0.373	0.927	0.597	0.596	0.7	0.765
Compound_807	COc1nc(nc(c1)O)Nc1ncccc1C(F)(F)F	0.343	0.395	0.979	0.605	0.529	0.578	0.445	0.421	0.397	0.131	0.813
Compound_808	COc1cc(O)nc(n1)N(c1ncccc1C(F)(F)F)C(=O)N	0.32	0.446	0.12	0.29	0.5	0.591	0.278	0.657	0.368	0.001	0.804
Compound_809	FC(c1cccnc1S(=O)(=O)N)(F)F	0.162	0.414	0.008	0.287	0.086	0.362	0.921	0.681	0.284	0.056	0.336
Compound_810	OC(=O)c1cnccc1C(F)(F)F	0.065	0.289	0.453	0.464	0.088	0.036	0.952	0.8	0.447	0.018	0.456
Compound_811	NC(=O)c1cnccc1C(F)(F)F	0.102	0.356	0.061	0.342	0.027	0.025	0.129	0.074	0.49	0.023	0.262
Compound_812	Oc1ncc(c(c1)C(F)(F)F)C(=O)O	0.251	0.248	0.465	0.443	0.461	0.441	0.881	0.881	0.447	0.014	0.55
Compound_813	O=C(c1cnccc1C(F)(F)F)NCC(=O)O	0.05	0.347	0.106	0.315	0.102	0.021	0.15	0.559	0.111	0.001	0.223
Compound_814	O=C(c1cnccc1C(F)(F)F)NCC(=O)N	0.068	0.414	0.026	0.215	0.055	0.035	0.034	0.063	0.273	0.004	0.457
Compound_815	Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F	0.661	0.238	0.017	0.316	0.594	0.579	0.265	0.393	0.424	0.106	0.466
Compound_816	OC(=O)c1n[nH]c(n1)S(=O)(=O)N	0.331	0.168	0.014	0.2	0.415	0.499	0.001	0.023	0.227	0.001	0.228
Compound_817	Fc1cccc(c1NS(=O)(=O)c1[nH]nc(n1)C(=O)O)F	0.464	0.228	0.122	0.34	0.494	0.593	0.048	0.208	0.305	0.161	0.468
Compound_818	Fc1cccc(c1NS(=O)(=O)c1ncn[nH]1)F	0.352	0.208	0.518	0.433	0.374	0.577	0.773	0.567	0.441	0.354	0.513
Compound_819	NS(=O)(=O)c1n[nH]cn1	0.312	0.199	0.01	0.165	0.379	0.429	0.0	0.114	0.501	0.004	0.228
Compound_820	OC(=O)C(Oc1ccc(cc1)O)C	0.421	0.095	0.106	0.472	0.38	0.066	0.311	0.013	0.388	0.129	0.052
Compound_821	Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F	0.928	0.559	0.528	0.755	0.587	0.506	0.925	0.954	0.552	0.404	0.933
Compound_822	Clc1cc(cnc1Nc1c(N)cc(c(c1N)Cl)C(F)(F)F)C(F)(F)F	0.791	0.726	0.828	0.604	0.673	0.61	0.951	0.61	0.759	0.803	0.351
Compound_823	Clc1cc(cnc1Nc1c(cc(c(c1N(=O)=O)O)C(F)(F)F)N(=O)=O)C(F)(F)F	0.673	0.673	0.935	0.738	0.847	0.625	0.973	0.979	0.593	0.815	0.964
Compound_824	Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F	0.763	0.665	0.902	0.715	0.756	0.537	0.979	0.951	0.605	0.777	0.883
Compound_825	N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F	0.369	0.582	0.554	0.44	0.694	0.745	0.967	0.899	0.431	0.272	0.853
Compound_826	N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O	0.466	0.485	0.09	0.304	0.718	0.421	0.504	0.094	0.403	0.062	0.765
Compound_827	OC(=O)CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.685	0.644	0.539	0.538	0.267	0.526	0.9	0.791	0.41	0.435	0.069
Compound_828	C#CCN1C(=O)COc2c1cc(NC(=O)C1=C(CCCC1)C(=O)O)c(c2)F	0.66	0.519	0.557	0.525	0.21	0.582	0.705	0.831	0.409	0.902	0.333
Compound_829	O=C1COc2c(N1)cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.684	0.673	0.704	0.622	0.207	0.56	0.927	0.808	0.44	0.37	0.146
Compound_830	OC(=O)c1ncc(c(c1S(=O)(=O)O)O)C(F)(F)F	0.108	0.327	0.584	0.518	0.445	0.544	0.866	0.918	0.179	0.155	0.263
Compound_831	OC(=O)c1ncc(c(c1Cl)O)C(F)(F)F	0.126	0.278	0.136	0.504	0.37	0.32	0.926	0.941	0.539	0.293	0.759
Compound_832	OC(=O)c1ncc(cc1S)C(F)(F)F	0.121	0.382	0.122	0.457	0.282	0.258	0.827	0.947	0.64	0.051	0.663
Compound_833	OC(c1ncc(cc1Cl)C(F)(F)F)NC(=O)c1c(Cl)cccc1Cl	0.367	0.475	0.36	0.492	0.475	0.61	0.07	0.809	0.587	0.817	0.83
Compound_834	CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F	0.114	0.417	0.184	0.455	0.192	0.247	0.769	0.941	0.521	0.082	0.434
Compound_835	OC(=O)c1ncc(cc1S(=O)(=O)O)C(F)(F)F	0.106	0.307	0.749	0.508	0.352	0.471	0.808	0.889	0.438	0.089	0.17
Compound_836	Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F	0.394	0.369	0.733	0.624	0.423	0.526	0.796	0.909	0.527	0.23	0.268
Compound_837	OC(=O)c1ncc(cc1Cl)C(F)(F)F	0.144	0.294	0.42	0.547	0.251	0.202	0.947	0.93	0.753	0.674	0.463
Compound_838	OC(=O)c1nc(O)c(cc1S(=O)(=O)O)C(F)(F)F	0.213	0.304	0.802	0.437	0.664	0.617	0.406	0.975	0.179	0.244	0.251
Compound_839	OC(=O)c1nc(O)c(cc1Cl)C(F)(F)F	0.321	0.236	0.458	0.434	0.688	0.483	0.96	0.975	0.539	0.578	0.5
Compound_840	OC(c1ncc(cc1Cl)C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F	0.193	0.399	0.203	0.353	0.539	0.414	0.224	0.712	0.435	0.142	0.493
Compound_841	CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C(=O)N	0.526	0.568	0.521	0.4	0.694	0.759	0.986	0.072	0.489	0.038	0.616
Compound_842	CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1cccc(c1Cl)O)/C1=NOCCO1	0.726	0.651	0.928	0.698	0.831	0.674	0.924	0.94	0.494	0.489	0.644
Compound_843	COc1cc(OC)nc(n1)C1C(=O)NC(=O)c2c1cnc(c2)C(F)(F)F	0.261	0.532	0.207	0.275	0.26	0.586	0.645	0.914	0.397	0.004	0.738
Compound_844	COc1cc(O)nc(n1)C1C(=O)NC(=O)c2c1cnc(c2)C(F)(F)F	0.32	0.475	0.144	0.281	0.547	0.634	0.724	0.862	0.395	0.01	0.834
Compound_845	Oc1cc(O)nc(n1)C1C(=O)NC(=O)c2c1cnc(c2)C(F)(F)F	0.286	0.456	0.197	0.242	0.58	0.633	0.617	0.871	0.396	0.055	0.797
Compound_846	COc1cc(OC)nc(n1)N(c1nc(ccc1C(=O)OC)C(F)(F)F)C(=O)N	0.332	0.466	0.707	0.327	0.369	0.674	0.117	0.59	0.393	0.035	0.658
Compound_847	COc1nc(nc(c1)O)Nc1nc(ccc1C(=O)OC)C(F)(F)F	0.391	0.533	0.976	0.523	0.663	0.615	0.105	0.913	0.396	0.015	0.603
Compound_848	OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F	0.183	0.282	0.013	0.239	0.292	0.49	0.1	0.951	0.169	0.007	0.269
Compound_849	Clc1ccc(c(c1)Cl)n1c(=O)c2cc(F)ccc2n(c1=O)C	0.682	0.502	0.325	0.513	0.647	0.803	0.984	0.175	0.448	0.104	0.544
Compound_850	ClCC1CN(C(=O)C1O)c1cccc(c1)C(F)(F)F	0.766	0.483	0.098	0.553	0.467	0.151	0.905	0.546	0.422	0.037	0.44
Compound_851	ClCC1CC(=O)N(C1)c1cccc(c1)C(F)(F)F	0.911	0.631	0.549	0.581	0.547	0.147	0.982	0.953	0.529	0.611	0.775
Compound_852	COc1nc(F)c(c(c1Cl)N)Cl	0.593	0.342	0.924	0.551	0.26	0.253	0.898	0.343	0.896	0.884	0.362
Compound_853	Clc1c(O)nc(c(c1N)Cl)F	0.607	0.404	0.919	0.488	0.665	0.333	0.948	0.783	0.908	0.618	0.692
Compound_854	OC(=O)C(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.578	0.49	0.568	0.772	0.6	0.061	0.996	0.794	0.184	0.146	0.619
Compound_855	CC(Oc1cc(ccc1O)NC(=O)c1ccccc1C(F)(F)F)C	0.71	0.4	0.955	0.836	0.842	0.148	0.975	0.95	0.365	0.077	0.744
Compound_856	OCC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.611	0.468	0.827	0.732	0.805	0.072	0.849	0.675	0.191	0.031	0.776
Compound_857	Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	0.89	0.467	0.966	0.848	0.918	0.142	0.982	0.994	0.227	0.439	0.961
Compound_858	O=C(c1ccccc1C(F)(F)F)Nc1ccc(c(c1)O)O	0.879	0.459	0.964	0.839	0.909	0.187	0.982	0.998	0.289	0.34	0.935
Compound_859	COc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F	0.793	0.462	0.978	0.831	0.698	0.155	0.989	0.488	0.279	0.307	0.879
Compound_860	COc1cc(ccc1O)NC(=O)c1ccccc1C(F)(F)F	0.782	0.508	0.961	0.85	0.724	0.199	0.986	0.82	0.342	0.196	0.903
Compound_861	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1cc(N)ccc1C(=O)N(C)C	0.225	0.358	0.106	0.166	0.407	0.745	0.25	0.039	0.317	0.021	0.395
Compound_862	Nc1ccc(c(c1)S(=O)(=O)N)C(=O)N(C)C	0.087	0.324	0.017	0.2	0.162	0.662	0.102	0.002	0.291	0.004	0.194
Compound_863	O=CNc1ccc(c(c1)S(=O)(=O)N)C(=O)N(C)C	0.232	0.341	0.054	0.37	0.202	0.688	0.037	0.011	0.352	0.006	0.179
Compound_864	OC(=O)c1nc2c([nH]1)cccc2	0.219	0.449	0.598	0.424	0.363	0.678	0.118	0.666	0.387	0.025	0.662
Compound_865	CC(=O)c1nc2c([nH]1)cccc2	0.279	0.634	0.999	0.473	0.32	0.734	0.142	0.563	0.454	0.235	0.781
Compound_866	OC(=O)[C@H]1c2c(C)cccc2[C@H]2[C@]31CC(=C)[C@](C3)(O)CC2	0.256	0.722	0.125	0.325	0.866	0.74	0.021	0.114	0.114	0.989	0.471
Compound_867	OC(=O)[C@H]1[C@H]2C([C@H]3[C@]41CC(=C)[C@](C4)(O)CC3)C=C[C@@H]([C@@]2(C)C(=O)O)O	0.854	0.789	0.04	0.338	0.914	0.567	0.007	0.932	0.34	0.851	0.395
Compound_868	OC(=O)[C@H]1[C@H]2C(=CC3[C@@H]([C@@]2(C)C(=O)O3)O)[C@H]2[C@]31CC(=C)[C@](C3)(O)CC2	0.907	0.859	0.002	0.267	0.96	0.656	0.236	0.982	0.455	0.433	0.153
Compound_869	OC(=O)CP(=O)(O)C	0.203	0.102	0.014	0.086	0.656	0.26	0.077	0.015	0.383	0.019	0.221
Compound_870	CC(=O)NC(C(=O)O)CCP(=O)(O)C	0.006	0.067	0.003	0.083	0.563	0.238	0.001	0.015	0.131	0.002	0.123
Compound_871	OC(=O)P(=O)(O)C	0.574	0.107	0.008	0.123	0.649	0.106	0.081	0.013	0.71	0.128	0.385
Compound_872	NC(=N)NCCCCCCCCNC(=N)N	0.142	0.095	0.158	0.345	0.042	0.928	0.001	0.561	0.601	0.016	0.055
Compound_873	NC(=N)N(CCCCCCCCNC(=N)N)CCCCCCCCNC(=N)N	0.119	0.105	0.058	0.355	0.072	0.966	0.249	0.168	0.516	0.022	0.074
Compound_874	NCCCCCCCCN(C(=N)N)CCCCCCCCNC(=N)N	0.119	0.105	0.018	0.343	0.045	0.98	0.249	0.012	0.314	0.022	0.074
Compound_875	NCCCCCCCCNC(=N)N	0.142	0.095	0.031	0.293	0.042	0.928	0.001	0.016	0.34	0.016	0.055
Compound_876	NCCCCCCCCNCCCCCCCCNC(=N)N	0.119	0.11	0.011	0.334	0.055	0.979	0.139	0.039	0.234	0.016	0.053
Compound_877	NCCCCCCCCN(C(=N)N)CCCCCCCCN	0.119	0.105	0.021	0.404	0.044	0.985	0.281	0.014	0.309	0.022	0.074
Compound_878	NCCCCCCCCNCCCCCCCCN	0.222	0.04	0.019	0.441	0.046	0.379	0.229	0.023	0.359	0.102	0.232
Compound_879	Cn1cc(cc(c1=O)Cl)C(F)(F)F	0.583	0.544	0.251	0.67	0.635	0.092	0.907	0.674	0.689	0.208	0.615
Compound_880	OC1CCC(CC1)n1c(=O)nc(n(c1=O)C)N(C)C	0.426	0.457	0.014	0.311	0.062	0.682	0.007	0.061	0.167	0.036	0.2
Compound_881	CNc1nc(=O)n(c(=O)n1C)C1CCC(CC1)O	0.386	0.364	0.032	0.316	0.052	0.443	0.002	0.105	0.167	0.002	0.251
Compound_882	CC1N(C(=O)N)C(=O)SC1c1ccc(cc1)Cl	0.147	0.404	0.115	0.316	0.317	0.375	0.702	0.116	0.226	0.048	0.237
Compound_883	CC1NC(=O)SC1c1ccc(cc1)Cl	0.169	0.544	0.675	0.382	0.138	0.276	0.34	0.109	0.185	0.668	0.113
Compound_884	OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl	0.206	0.429	0.173	0.545	0.462	0.423	0.035	0.645	0.221	0.15	0.216
Compound_885	O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl	0.255	0.386	0.417	0.442	0.402	0.429	0.793	0.842	0.266	0.315	0.159
Compound_886	OC1CCC(CC1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl	0.215	0.412	0.173	0.519	0.544	0.563	0.062	0.45	0.254	0.151	0.223
Compound_887	O=C1CCC(CC1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl	0.212	0.372	0.417	0.408	0.516	0.481	0.844	0.663	0.247	0.344	0.183
Compound_888	Cc1c[nH]c(=O)o1	0.157	0.303	0.314	0.391	0.019	0.001	0.002	0.005	0.604	0.641	0.407
Compound_889	CC(C1(C)N=C(NC1=O)c1ncc(cc1C(=O)O)C(=O)O)C	0.335	0.149	0.021	0.298	0.005	0.156	0.006	0.765	0.426	0.132	0.144
Compound_890	CC(C1(C)N=C(NC1=O)c1ncc(cc1O)C(=O)O)C	0.27	0.204	0.017	0.308	0.035	0.356	0.008	0.734	0.432	0.175	0.175
Compound_891	O=C1NC(=O)N(C1)Cc1ccc(nc1)Cl	0.086	0.373	0.037	0.297	0.095	0.175	0.007	0.097	0.201	0.161	0.206
Compound_892	O=N(=O)/N=C/1\NCC(N1Cc1ccnc(c1)Cl)O	0.11	0.418	0.548	0.473	0.059	0.281	0.001	0.126	0.352	0.004	0.384
Compound_893	Clc1ccc(cn1)CN1C(=O)CNC1=O	0.098	0.4	0.103	0.183	0.107	0.152	0.006	0.113	0.2	0.046	0.288
Compound_894	N/C(=N\N(=O)=O)/NCc1ccc(nc1)Cl	0.244	0.359	0.279	0.484	0.064	0.408	0.001	0.132	0.116	0.007	0.413
Compound_895	NC(=O)Nc1ccc(cc1)OC(F)(F)F	0.63	0.385	0.929	0.607	0.766	0.35	0.454	0.151	0.465	0.006	0.569
Compound_896	COC(=O)N(c1ccc(cc1)OC(F)(F)F)C(=O)NN=C1Cc2c(C1(O)C(=O)OC)cc(cc2)Cl	0.577	0.712	0.987	0.434	0.884	0.73	0.822	0.828	0.406	0.379	0.493
Compound_897	COC(=O)C1C2OCN(NC2c2c1cc(Cl)cc2)CNc1ccc(cc1)OC(F)(F)F	0.676	0.686	0.967	0.577	0.673	0.626	0.79	0.191	0.353	0.205	0.474
Compound_898	NC(=O)Nc1nc(C)nc(n1)O	0.409	0.134	0.077	0.281	0.266	0.499	0.002	0.014	0.808	0.004	0.102
Compound_899	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc(O)ccc1C(=O)OC	0.444	0.374	0.545	0.25	0.5	0.721	0.04	0.056	0.372	0.267	0.373
Compound_900	Ic1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)O)C(=O)O	0.252	0.228	0.192	0.28	0.531	0.637	0.01	0.094	0.374	0.085	0.439
Compound_901	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)O	0.354	0.318	0.127	0.226	0.408	0.622	0.023	0.028	0.362	0.006	0.335
Compound_902	NC(=O)NC(NC(=O)Nc1nc(C)nc(n1)O)N	0.339	0.123	0.022	0.246	0.315	0.543	0.0	0.004	0.602	0.002	0.15
Compound_903	NC(=O)c1cc(I)c(c(c1)I)O	0.608	0.374	0.089	0.404	0.432	0.286	0.645	0.021	0.317	0.082	0.381
Compound_904	NC(=O)Nc1cc(Cl)cc(c1)Cl	0.849	0.246	0.648	0.634	0.546	0.267	0.964	0.216	0.77	0.281	0.366
Compound_905	CC(N(C(=O)NCC(=O)O)C(=O)Nc1cc(Cl)cc(c1)Cl)C	0.557	0.339	0.429	0.645	0.82	0.077	0.066	0.326	0.364	0.013	0.135
Compound_906	Clc1cc(cc(c1)Cl)NC(=O)N1C(=O)CNC1=O	0.784	0.455	0.849	0.554	0.688	0.101	0.034	0.795	0.467	0.007	0.705
Compound_907	CC(N1C(=O)CNC1=O)C	0.048	0.197	0.034	0.19	0.061	0.024	0.0	0.027	0.31	0.007	0.279
Compound_908	CC(NC(=O)N(C(=O)Nc1cc(Cl)cc(c1)Cl)CC(=O)O)C	0.547	0.354	0.208	0.596	0.82	0.077	0.066	0.222	0.345	0.026	0.111
Compound_909	CC(NC(=O)CNC(=O)Nc1cc(Cl)cc(c1)Cl)C	0.582	0.263	0.946	0.671	0.638	0.147	0.029	0.433	0.385	0.031	0.145
Compound_910	CC(NC(=O)NCC(=O)Nc1cc(Cl)cc(c1)Cl)C	0.365	0.266	0.953	0.6	0.557	0.125	0.029	0.243	0.382	0.031	0.143
Compound_911	CC(c1ccc(cc1)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C	0.075	0.345	0.09	0.307	0.034	0.335	0.059	0.15	0.36	0.069	0.142
Compound_912	OCC(c1ccc(cc1)NC(=O)N(C)C)C	0.34	0.328	0.384	0.497	0.203	0.769	0.106	0.029	0.476	0.001	0.168
Compound_913	CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O	0.159	0.395	0.057	0.43	0.198	0.487	0.09	0.01	0.366	0.003	0.107
Compound_914	NC(=O)Nc1ccc(cc1)C(C(=O)O)C	0.088	0.289	0.019	0.381	0.204	0.429	0.602	0.004	0.292	0.001	0.052
Compound_915	O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C	0.586	0.402	0.538	0.551	0.28	0.603	0.565	0.06	0.599	0.001	0.199
Compound_916	NC(=O)Nc1ccc(cc1)C(O)(C)C	0.467	0.33	0.247	0.446	0.291	0.558	0.815	0.013	0.657	0.0	0.144
Compound_917	CNC(=O)Nc1ccc(cc1)C(O)(C)C	0.53	0.408	0.718	0.625	0.309	0.549	0.099	0.687	0.659	0.001	0.26
Compound_918	OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F	0.454	0.398	0.146	0.368	0.225	0.499	0.452	0.969	0.384	0.856	0.275
Compound_919	N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1	0.891	0.524	0.307	0.614	0.518	0.686	0.899	0.962	0.407	0.85	0.609
Compound_920	NC=C(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1	0.662	0.513	0.262	0.556	0.302	0.692	0.413	0.808	0.396	0.51	0.493
Compound_921	CO/N=C(\c1ccccc1COc1ccccc1C(=O)O)/C(=O)O	0.248	0.718	0.133	0.3	0.646	0.557	0.997	0.079	0.45	0.776	0.844
Compound_922	NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl	0.762	0.549	0.173	0.547	0.553	0.22	0.955	0.153	0.357	0.218	0.397
Compound_923	OCC1(C)C(C1/C=C(/C(F)(F)F)\Cl)C(=O)O	0.476	0.357	0.031	0.482	0.833	0.096	0.988	0.711	0.248	0.926	0.681
Compound_924	N#CC(c1cccc(c1)Oc1ccc(cc1)O)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl	0.951	0.55	0.749	0.809	0.992	0.507	0.914	0.572	0.411	0.882	0.594
Compound_925	OC1CCc2c1c(=O)[nH]c(=O)[nH]2	0.15	0.539	0.022	0.3	0.123	0.106	0.714	0.029	0.19	0.003	0.424
Compound_926	OC1CCc2c1c(=O)n(c(=O)[nH]2)C1CCCCC1	0.398	0.502	0.169	0.37	0.169	0.705	0.014	0.103	0.301	0.004	0.31
Compound_927	OC1CCC(CC1)n1c(=O)[nH]c2c(c1=O)CCC2	0.389	0.519	0.136	0.385	0.134	0.54	0.011	0.042	0.209	0.004	0.336
Compound_928	O=C1CCC(CC1)n1c(=O)[nH]c2c(c1=O)CCC2	0.378	0.529	0.547	0.416	0.105	0.475	0.001	0.083	0.329	0.008	0.5
Compound_929	O=C1CCc2c1c(=O)n(c(=O)[nH]2)C1CCCCC1	0.485	0.529	0.624	0.427	0.093	0.618	0.002	0.336	0.409	0.008	0.487
Compound_930	O=C1NC(=O)C(C(=O)N1C1CCCCC1)C(=O)O	0.107	0.313	0.014	0.157	0.09	0.248	0.004	0.039	0.353	0.135	0.28
Compound_931	NC(=O)NC1=C(C(=O)O)C(CC1)O	0.084	0.423	0.002	0.112	0.162	0.105	0.013	0.025	0.18	0.003	0.261
Compound_932	NC1=C(C(=O)O)C(CC1)O	0.045	0.456	0.008	0.144	0.177	0.083	0.039	0.075	0.067	0.0	0.279
Compound_933	O=c1c2c(CCC2OS(=O)(=O)O)[nH]c(=O)n1C1CCCCC1	0.581	0.599	0.355	0.321	0.335	0.592	0.014	0.228	0.205	0.026	0.53
Compound_934	NC(=O)NC(=O)C1=C(CCC1)OS(=O)(=O)O	0.257	0.41	0.011	0.187	0.144	0.361	0.056	0.17	0.332	0.003	0.43
Compound_935	NC(=O)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.494	0.499	0.962	0.584	0.785	0.612	0.687	0.17	0.47	0.47	0.803
Compound_936	COc1cc(CCNC(=O)C(c2ccc(cc2)Cl)O)ccc1O	0.054	0.498	0.095	0.353	0.101	0.288	0.015	0.099	0.152	0.158	0.092
Compound_937	C#CCOc1ccc(cc1OC)CCNC(=O)C(c1ccc(cc1)Cl)O	0.092	0.496	0.255	0.326	0.084	0.627	0.029	0.206	0.219	0.207	0.244
Compound_938	C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)O	0.121	0.46	0.422	0.443	0.129	0.514	0.064	0.094	0.26	0.113	0.231
Compound_939	C#CCOC(c1ccc(cc1)Cl)C(=O)O	0.048	0.17	0.305	0.269	0.208	0.432	0.97	0.07	0.259	0.289	0.446
Compound_940	C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)O)O	0.13	0.492	0.321	0.339	0.27	0.559	0.06	0.293	0.253	0.705	0.383
Compound_941	C=CCOc1ccc(cc1OC)CCNC(=O)C(c1ccc(cc1)Cl)OCC#C	0.211	0.501	0.798	0.463	0.063	0.636	0.127	0.734	0.222	0.099	0.205
Compound_942	C=CCOc1ccc(cc1O)CCNC(=O)C(c1ccc(cc1)Cl)OCC#C	0.279	0.459	0.763	0.479	0.155	0.519	0.114	0.975	0.209	0.625	0.337
Compound_943	OCCCOc1ccc(cc1OC)CCNC(=O)C(c1ccc(cc1)Cl)OCC#C	0.093	0.483	0.301	0.403	0.049	0.584	0.023	0.312	0.253	0.084	0.197
Compound_944	C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC=CO	0.257	0.491	0.669	0.447	0.058	0.607	0.037	0.763	0.257	0.149	0.169
Compound_945	CCCCCCC(c1cc(cc(c1O)N(=O)=O)N(=O)=O)C	0.793	0.301	0.302	0.569	0.904	0.89	0.957	0.987	0.904	0.957	0.898
Compound_946	O=C1NS(=O)(=O)c2c1ccc(c2)CNS(=O)(=O)C	0.22	0.438	0.081	0.233	0.051	0.701	0.004	0.118	0.371	0.027	0.084
Compound_947	COC(=O)c1ccc(cc1S(=O)(=O)N)CNS(=O)(=O)C	0.205	0.279	0.094	0.175	0.05	0.677	0.001	0.002	0.389	0.0	0.084
Compound_948	NC(=N)NC(=O)NS(=O)(=O)c1cc(ccc1C(=O)O)CNS(=O)(=O)C	0.131	0.223	0.013	0.177	0.093	0.737	0.0	0.026	0.388	0.0	0.204
Compound_949	COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1cc(ccc1C(=O)OC)CNS(=O)(=O)C	0.404	0.448	0.407	0.216	0.578	0.646	0.142	0.04	0.398	0.337	0.328
Compound_950	COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1cc(ccc1C(=O)O)CNS(=O)(=O)C	0.367	0.388	0.297	0.292	0.563	0.646	0.015	0.115	0.396	0.012	0.282
Compound_951	OC(=O)c1ccc(cc1N)S(=O)(=O)C	0.183	0.154	0.166	0.182	0.238	0.35	0.254	0.008	0.399	0.012	0.191
Compound_952	OCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)O)C	0.298	0.284	0.058	0.239	0.041	0.022	0.18	0.021	0.151	0.004	0.232
Compound_953	OC(=O)[C@H](N(c1c(C)cccc1C)C(=O)C(=O)O)C	0.306	0.352	0.112	0.246	0.04	0.011	0.341	0.021	0.176	0.08	0.084
Compound_954	COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)C(=O)O)C	0.47	0.365	0.053	0.312	0.059	0.019	0.252	0.245	0.271	0.032	0.051
Compound_955	COCC(=O)Nc1c(C)cccc1C	0.478	0.43	0.709	0.448	0.016	0.059	0.841	0.037	0.53	0.024	0.137
Compound_956	COCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)O)C	0.339	0.281	0.171	0.284	0.043	0.025	0.391	0.037	0.218	0.009	0.122
Compound_957	OC(=O)C(CSCC(=O)N(c1c(C)cccc1C)Cn1cccn1)N	0.298	0.545	0.022	0.286	0.492	0.372	0.75	0.016	0.282	0.002	0.265
Compound_958	SCC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.342	0.63	0.188	0.466	0.35	0.436	0.075	0.007	0.688	0.004	0.215
Compound_959	ClCC(=O)N(c1c(C)cccc1CO)Cn1cccn1	0.453	0.716	0.232	0.639	0.732	0.421	0.703	0.347	0.57	0.003	0.475
Compound_960	OCC(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1	0.395	0.628	0.055	0.284	0.171	0.327	0.156	0.026	0.511	0.019	0.286
Compound_961	OCC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.415	0.629	0.188	0.466	0.169	0.31	0.112	0.007	0.492	0.002	0.165
Compound_962	O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)C	0.363	0.509	0.171	0.529	0.233	0.357	0.114	0.25	0.452	0.142	0.305
Compound_963	CC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.314	0.554	0.614	0.575	0.197	0.287	0.042	0.048	0.782	0.033	0.204
Compound_964	OC(=O)CS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.367	0.533	0.15	0.222	0.367	0.371	0.961	0.191	0.448	0.014	0.285
Compound_965	OCc1cccc(c1N(C(=O)CS(=O)(=O)O)Cn1cccn1)C	0.292	0.493	0.046	0.285	0.276	0.547	0.063	0.048	0.391	0.008	0.432
Compound_966	O=C(C1CCC(C1(O)Cn1ncnc1)(C)C)c1ccc(cc1)Cl	0.905	0.856	0.913	0.831	0.143	0.874	0.863	0.568	0.338	0.057	0.401
Compound_967	COc1cc(C)c(c(c1)C)S(=O)(=O)C	0.363	0.38	0.789	0.683	0.058	0.377	0.762	0.013	0.425	0.976	0.278
Compound_968	Cc1cc(O)cc(c1S(=O)(=O)C)C	0.505	0.347	0.789	0.572	0.116	0.412	0.458	0.443	0.413	0.968	0.237
Compound_969	COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C(=O)O	0.232	0.636	0.41	0.262	0.107	0.853	0.831	0.538	0.465	0.323	0.339
Compound_970	NC(=S)N1CCNC1=S	0.025	0.316	0.379	0.363	0.021	0.075	0.001	0.39	0.835	0.177	0.294
Compound_971	CNC(=O)Nc1ccc(cc1)Br	0.929	0.279	0.975	0.813	0.3	0.652	0.08	0.961	0.482	0.442	0.257
Compound_972	CONC(=O)Nc1ccc(cc1)Br	0.881	0.381	0.99	0.763	0.346	0.653	0.822	0.722	0.471	0.844	0.417
Compound_973	NC(=O)Nc1ccc(cc1)Br	0.903	0.248	0.731	0.612	0.267	0.651	0.922	0.089	0.491	0.242	0.236
Compound_974	CCc1cccc(c1N[C@H](C(=O)O)C)C	0.213	0.308	0.536	0.226	0.157	0.004	0.004	0.019	0.087	0.016	0.237
Compound_975	COc1cc(O)nc2n1nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C	0.63	0.352	0.459	0.458	0.662	0.646	0.193	0.732	0.266	0.626	0.514
Compound_976	COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C	0.73	0.352	0.414	0.441	0.662	0.646	0.193	0.294	0.266	0.626	0.514
Compound_977	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C(=O)O)Br)C	0.584	0.625	0.702	0.462	0.671	0.668	0.97	0.299	0.427	0.258	0.919
Compound_978	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C(=O)O	0.591	0.625	0.713	0.494	0.671	0.668	0.973	0.224	0.431	0.258	0.919
Compound_979	O=c1[nH]c(=O)[nH]nc1C(C)(C)C	0.377	0.432	0.216	0.413	0.128	0.102	0.479	0.029	0.852	0.284	0.472
Compound_980	CC(c1n[nH]c(=O)n(c1=O)C)(C)C	0.336	0.416	0.078	0.438	0.128	0.137	0.165	0.009	0.782	0.076	0.293