Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Oc1ccc(cc1)C(=O)/C=C/c1ccccc1	0.96	0.767	0.881	0.787	0.889	0.997	0.989	0.973	0.973	0.775	0.866
Compound_2	CN(C[C@H](CN1c2ccccc2CCc2c1cccc2)C)C	0.053	0.772	0.022	0.057	0.663	0.58	0.981	0.01	0.188	0.865	0.24
Compound_3	CC(CCCCCCCCCCCCCCCC(=O)O)O	0.777	0.037	0.05	0.114	0.097	0.057	0.976	0.684	0.023	0.528	0.026
Compound_4	CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O	0.855	0.3	0.051	0.143	0.921	0.183	0.997	0.1	0.132	0.99	0.146
Compound_5	CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)O	0.73	0.3	0.104	0.143	0.826	0.204	0.983	0.109	0.27	0.99	0.146
Compound_6	O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C	0.754	0.915	0.047	0.219	0.786	0.851	0.02	0.889	0.047	0.992	0.087
Compound_7	O[C@@H]1CC[C@]2([C@H](C1)C[C@@H]([C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.647	0.915	0.047	0.17	0.806	0.814	0.021	0.819	0.047	0.992	0.087
Compound_8	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)O	0.487	0.393	0.01	0.906	0.964	0.986	0.004	0.186	0.356	0.015	0.154
Compound_9	COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@H](CO3)O	0.604	0.698	0.786	0.543	0.759	0.686	0.1	0.713	0.239	0.22	0.374
Compound_10	OC(=O)CN=C([C@@H](N=C(CC[C@@H](C(=O)O)N)O)CSC1C(=CC(C=C1N(=O)=O)N(=O)=O)N(=O)=O)O	0.363	0.254	0.006	0.277	0.798	0.366	0.011	0.224	0.138	0.551	0.337
Compound_11	OC(=O)CCCC=CC[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2	0.361	0.406	0.019	0.148	0.26	0.414	0.016	0.052	0.345	0.286	0.137
Compound_12	CCC=CCC=CCC=CCCCCC=CCCCC(=O)O	0.693	0.038	0.104	0.102	0.462	0.045	0.992	0.066	0.242	0.975	0.239
Compound_13	CC(CCCCCCCCCCCCCC(=O)O)O	0.777	0.037	0.05	0.114	0.097	0.057	0.976	0.684	0.023	0.528	0.026
Compound_14	CC(CCCCCCC=CCCCCCCCC(=O)O)O	0.944	0.053	0.057	0.085	0.404	0.078	0.97	0.6	0.034	0.858	0.045
Compound_15	OCCCCCCCCC=CCCCCCCCC(=O)O	0.944	0.267	0.077	0.128	0.483	0.223	0.987	0.222	0.071	0.21	0.187
Compound_16	O=C(CC(=O)/C=C/c1ccc(cc1)O)/C=C/c1ccc(cc1)O	0.947	0.771	0.505	0.814	0.925	0.994	0.988	0.898	0.755	0.354	0.899
Compound_17	COc1c(OC)c2oc(cc(=O)c2c(c1OC)OC)c1ccc(c(c1)O)O	0.784	0.864	0.948	0.761	0.957	0.582	0.821	0.991	0.413	0.021	0.983
Compound_18	COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1	0.774	0.898	0.932	0.819	0.91	0.626	0.939	0.968	0.718	0.008	0.715
Compound_19	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1O	0.782	0.912	0.981	0.866	0.845	0.891	0.986	0.982	0.839	0.071	0.888
Compound_20	Oc1ccc2c(c1)oc(cc2=O)c1ccc(c(c1)O)O	0.932	0.886	0.984	0.874	0.961	0.92	0.925	0.987	0.211	0.011	0.812
Compound_21	O=CC=CC=O	0.897	0.161	0.557	0.609	0.251	0.413	1.0	0.996	0.966	0.997	0.946
Compound_22	N#C/C(=C\c1ccc(c(c1)O)O)/C(=NCc1ccccc1)O	0.431	0.653	0.032	0.437	0.918	0.46	0.815	0.118	0.288	0.133	0.654
Compound_23	COc1cc(C=Cc2ccc(c(c2)O)OC)cc(c1OC)OC	0.796	0.636	0.686	0.694	0.93	0.248	0.901	0.545	0.835	0.57	0.925
Compound_24	CCCCCC1OC1CC=CCCCCCCCC(=O)O	0.91	0.3	0.051	0.137	0.831	0.225	0.997	0.1	0.053	0.99	0.146
Compound_25	CC(=CC=CC(=CC(=O)O)C)/C=C/C12OC2(C)CCCC1(C)C	0.95	0.386	0.442	0.498	0.975	0.837	0.894	0.918	0.854	0.976	0.548
Compound_26	Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F	0.96	0.671	0.873	0.57	0.825	0.634	0.905	0.922	0.593	0.936	0.867
Compound_27	COc1c(oc2c(c1=O)ccc(c2)O)c1ccccc1	0.835	0.84	0.964	0.874	0.871	0.961	0.997	0.967	0.685	0.009	0.884
Compound_28	COc1cc(ccc1OC)c1oc2cc(O)ccc2c(=O)c1O	0.804	0.944	0.965	0.856	0.756	0.559	0.971	0.968	0.517	0.006	0.88
Compound_29	COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)O	0.89	0.897	0.926	0.829	0.91	0.626	0.939	0.975	0.641	0.008	0.921
Compound_30	COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1OC)O	0.82	0.897	0.952	0.829	0.878	0.499	0.942	0.98	0.453	0.008	0.921
Compound_31	Oc1cccc(c1)c1cc(=O)c2c(o1)cc(cc2)O	0.902	0.888	0.982	0.893	0.966	0.993	0.984	0.981	0.601	0.235	0.973
Compound_32	Oc1ccc2c(c1)oc(cc2=O)c1ccccc1O	0.905	0.895	0.982	0.858	0.953	0.99	0.995	0.977	0.767	0.097	0.958
Compound_33	COc1ccccc1c1cc(=O)c2c(o1)cc(cc2)O	0.856	0.88	0.964	0.863	0.941	0.96	0.998	0.968	0.812	0.055	0.929
Compound_34	Oc1ccc2c(c1)oc(c(c2=O)C)c1ccccc1	0.904	0.841	0.958	0.838	0.871	0.917	0.979	0.988	0.896	0.128	0.904
Compound_35	Oc1cccc2c1c(=O)c(c(o2)c1ccccc1)O	0.841	0.835	0.974	0.886	0.756	0.869	0.989	0.974	0.764	0.014	0.929
Compound_36	Oc1ccc2c(c1)oc(c(c2=O)O)c1ccccc1	0.808	0.884	0.982	0.902	0.688	0.86	0.978	0.979	0.764	0.011	0.845
Compound_37	Oc1cccc(c1)c1cc(=O)c2c(o1)cc(c(c2)O)O	0.912	0.837	0.985	0.843	0.953	0.873	0.908	0.984	0.459	0.014	0.917
Compound_38	Oc1cc(C)c2c(c1)oc(cc2=O)c1ccccc1	0.895	0.887	0.976	0.765	0.879	0.842	0.977	0.989	0.814	0.271	0.733
Compound_39	Oc1cccc(c1)c1oc2cc(O)ccc2c(=O)c1O	0.875	0.835	0.982	0.893	0.697	0.719	0.946	0.979	0.268	0.014	0.929
Compound_40	N#Cc1cc2ccc(cc2oc1=O)O	0.165	0.752	0.896	0.569	0.874	0.517	0.496	0.83	0.682	0.537	0.765
Compound_41	Oc1ccc2c(c1)oc(=O)c(c2c1ccccc1)c1ccccc1	0.875	0.77	0.977	0.813	0.989	0.985	0.986	0.966	0.536	0.334	0.848
Compound_42	ClCc1cc(=O)oc2c1ccc(c2)O	0.963	0.57	0.92	0.564	0.922	0.862	0.834	0.91	0.986	0.898	0.951
Compound_43	COc1cc(ccc1O)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC	0.801	0.867	0.926	0.838	0.903	0.437	0.821	0.975	0.487	0.021	0.972
Compound_44	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(cc2)O)ccc1O	0.895	0.623	0.584	0.812	0.836	0.609	0.905	0.876	0.677	0.845	0.917
Compound_45	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)O)O)ccc1O	0.914	0.62	0.547	0.786	0.836	0.609	0.905	0.964	0.411	0.894	0.921
Compound_46	OC(=O)[C@H]1OC(Oc2ccc3c(c2)[nH]c2c3ccnc2C)[C@@H]([C@H]([C@@H]1O)O)O	0.396	0.64	0.064	0.399	0.541	0.658	0.609	0.177	0.104	0.102	0.818
Compound_47	Cc1nccc2c1[nH]c1c2ccc(c1)OS(=O)(=O)O	0.399	0.589	0.596	0.296	0.613	0.67	0.061	0.246	0.393	0.256	0.555
Compound_48	OC(=O)[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.644	0.72	0.083	0.577	0.878	0.358	0.39	0.734	0.289	0.056	0.89
Compound_49	CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)N=c1[nH][nH]c(c1)C	0.505	0.59	0.697	0.45	0.535	0.625	0.123	0.17	0.417	0.032	0.19
Compound_50	OCC=C(C=CC=C(/C=C/C1=C(C)C(O)CCC1(C)C)C)C	0.925	0.385	0.265	0.697	0.665	0.801	0.853	0.911	0.451	0.446	0.568
Compound_51	CNCC[C@@H](c1ccccc1)Oc1ccccc1C	0.028	0.376	0.038	0.192	0.08	0.389	0.101	0.031	0.136	0.002	0.046
Compound_52	CC[C@H](C(c1ccccc1)(c1ccccc1)C[C@H](NC)C)OC(=O)C	0.252	0.623	0.101	0.261	0.136	0.269	0.029	0.036	0.297	0.028	0.294
Compound_53	CCCCCC=CCC1OC1CCCCCCCC(=O)O	0.916	0.3	0.051	0.137	0.831	0.225	0.997	0.1	0.053	0.99	0.146
Compound_54	COc1cc(cc(c1OC)OC)c1oc2cc(O)ccc2c(=O)c1O	0.779	0.918	0.965	0.749	0.889	0.693	0.932	0.962	0.935	0.017	0.942
Compound_55	Clc1ccc2c(c1)N(CCC2=NOS(=O)(=O)O)C(=O)c1ccccc1C	0.731	0.635	0.169	0.341	0.736	0.711	0.58	0.137	0.061	0.748	0.492
Compound_56	CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccccc1	0.152	0.367	0.026	0.352	0.823	0.943	0.058	0.026	0.391	0.092	0.123
Compound_57	CNCC/C=C\1/c2ccccc2CC(c2c1cccc2)O	0.032	0.582	0.078	0.238	0.179	0.082	0.018	0.133	0.052	0.004	0.168
Compound_58	COc1ccc(cc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2)C(=C)C	0.43	0.595	0.2	0.21	0.118	0.927	0.16	0.115	0.525	0.003	0.47
Compound_59	COc1ccc(cc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2)C(O)(C)C	0.25	0.689	0.309	0.232	0.294	0.81	0.144	0.052	0.347	0.012	0.647
Compound_60	OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(CO)(C)C)c1ncccn1	0.376	0.518	0.026	0.293	0.5	0.579	0.882	0.649	0.296	0.668	0.174
Compound_61	OCCOc1nc(nc(c1Oc1ccccc1O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1	0.381	0.518	0.021	0.325	0.54	0.59	0.751	0.442	0.316	0.578	0.17
Compound_62	Fc1cccc(c1)CCN1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1	0.216	0.589	0.471	0.341	0.444	0.707	0.972	0.317	0.627	0.028	0.043
Compound_63	Cc1ccc(c(c1)O)C(=C)C	0.919	0.444	0.919	0.604	0.26	0.172	0.646	0.991	0.07	0.976	0.811
Compound_64	Oc1ccc(cc1)C1COc2c(C1O)ccc(c2)O	0.13	0.791	0.328	0.472	0.938	0.81	0.284	0.082	0.196	0.218	0.829
Compound_65	COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OC/C=C/c1ccccc1)C	0.913	0.868	0.958	0.585	0.848	0.81	0.943	0.926	0.953	0.308	0.906
Compound_66	OCCOC[C@H]1N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@@H](N=C(O)[C@H](CC(C)C)N(C)C(=O)CN(C(=O)[C@@H](N=C([C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)CC(C)C)C)CC(C)C)C)C(C)C)C)[C@@H]([C@@H](C/C=C/C)C)O)O)CC)C)C(C)C	0.424	0.481	0.068	0.391	0.456	0.696	0.031	0.548	0.24	0.04	0.301
Compound_67	C/C=C/CC(C(C1C(=NC(CC)C(=O)N(C)CC(=NC(CC(C)C)C(=NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=NC(C(=NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)O)C)O)O)O)O)O)C	0.411	0.451	0.153	0.391	0.251	0.602	0.022	0.301	0.199	0.128	0.418
Compound_68	CC(=CC=CC(=CC(=O)O)C)/C=C/C1=C(C)C(O)CCC1(C)C	0.91	0.423	0.194	0.512	0.793	0.851	0.962	0.972	0.663	0.812	0.223
Compound_69	Oc1ccc(cc1)C=CCN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F	0.212	0.496	0.423	0.373	0.837	0.928	0.438	0.884	0.928	0.145	0.196
Compound_70	COc1c(CC=C(CCC(=O)O)C)c(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1C)COC2=O	0.589	0.777	0.637	0.489	0.493	0.8	0.944	0.817	0.367	0.542	0.973
Compound_71	CCCCC(C=CCC=CCC=CCC=CCCCC(=O)O)O	0.66	0.054	0.164	0.117	0.553	0.106	0.887	0.539	0.228	0.94	0.082
Compound_72	CCCC(CC=CCC=CCC=CCC=CCCCC(=O)O)O	0.765	0.065	0.043	0.098	0.4	0.07	0.9	0.613	0.365	0.941	0.071
Compound_73	CC([C@H](/C=C/[C@H]([C@H]1CCC2[C@]1(C)CCC/C/2=C\C=C\1/CC(CCC1=C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C)C	0.605	0.98	0.019	0.552	0.812	0.814	0.349	0.731	0.245	0.949	0.619
Compound_74	OC1CCC(=C)/C(=C\C=C\2/CCC[C@]3(C2CC[C@@H]3[C@@H](/C=C/[C@@H](C(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)(C)C)C)C)C)/C1	0.647	0.98	0.032	0.562	0.854	0.85	0.434	0.762	0.293	0.915	0.5
Compound_75	Clc1ccc(cc1)c1ccc(c(c1)O)Cl	0.955	0.715	0.519	0.724	0.913	0.499	0.978	0.954	0.56	0.991	0.987
Compound_76	OC(=O)[C@H]1O[C@@H](OC(=O)c2cccc(c2)Oc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.536	0.694	0.116	0.491	0.553	0.377	0.53	0.032	0.168	0.057	0.571
Compound_77	Clc1cc(O)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl	0.978	0.715	0.764	0.705	0.948	0.873	0.994	0.992	0.893	0.991	0.987
Compound_78	O=NN1CCCC1O	0.045	0.29	0.027	0.456	0.03	0.258	0.004	0.34	0.289	0.012	0.12
Compound_79	N#C[C@H](c1cccc(c1)Oc1ccc(cc1)O)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br	0.885	0.56	0.749	0.782	0.932	0.535	0.942	0.585	0.438	0.853	0.372
Compound_80	OCC1=C(/C=C/C(=CC=CC(=CC(=O)O)C)C)C(CCC1)(C)C	0.939	0.357	0.371	0.508	0.85	0.872	0.974	0.891	0.747	0.296	0.256
Compound_81	O=C1N=C([C@@H](S1)Cc1ccc(cc1)OC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)O	0.474	0.799	0.071	0.479	0.912	0.871	0.682	0.879	0.257	0.617	0.805
Compound_82	CC[C@]1(N=C(N=C1O)O)c1ccccc1	0.21	0.26	0.268	0.43	0.006	0.078	0.715	0.218	0.302	0.0	0.156
Compound_83	C[C@@]1(CC)CC(=NC1=O)O	0.129	0.356	0.144	0.425	0.033	0.049	0.293	0.088	0.318	0.002	0.256
Compound_84	O[C@@H](COc1ccc(cc1)COCCOC(C)C)CNC(C)C	0.008	0.443	0.007	0.154	0.149	0.03	0.008	0.004	0.152	0.022	0.031
Compound_85	O[C@H]([C@@H](N=C(COc1c(C)cccc1C)O)Cc1ccccc1)C[C@@H](N=C([C@H](N1CCCN=C1O)C(C)C)O)Cc1ccccc1	0.391	0.394	0.032	0.342	0.367	0.576	0.12	0.128	0.26	0.662	0.074
Compound_86	O=C1C=C[C@]2(C(=C1)CC[C@@H]1C2=CC[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C	0.456	0.719	0.082	0.499	0.714	0.707	0.159	0.875	0.276	0.822	0.298
Compound_87	CN1[C@@H]2CC[C@H]1CC(C2)N=C(c1cc(Cl)cc2c1OC(C2)(C)C)O	0.408	0.644	0.063	0.197	0.13	0.397	0.037	0.014	0.296	0.628	0.552
Compound_88	COC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](C(C)(C)C)N=C(OC(C)(C)C)O)O)C(=C(C2(C)C)[C@H](C1=O)OC(=O)C)C)C)O	0.76	0.697	0.025	0.515	0.84	0.794	0.192	0.117	0.382	0.275	0.584
Compound_89	[O-]C(=Nc1ccc(cc1)C(=O)O)C	0.319	0.448	0.266	0.361	0.218	0.691	0.98	0.586	0.236	0.098	0.253
Compound_90	CN[C@H](Cc1ccccc1OC)C	0.024	0.108	0.525	0.314	0.005	0.113	0.003	0.03	0.282	0.101	0.145
Compound_91	COc1ccc(cc1)c1nc2c([nH]1)ccc(c2)C1=NN=C(C[C@@H]1C)O	0.525	0.67	0.496	0.533	0.745	0.753	0.833	0.303	0.453	0.006	0.422
Compound_92	COc1ccc(cc1)C[C@H](N)C	0.086	0.09	0.481	0.545	0.015	0.55	0.006	0.01	0.562	0.105	0.039
Compound_93	O=C1N=C(O)[C@](C(=O)N1C)(C)C1=CCCCC1	0.573	0.579	0.755	0.431	0.316	0.589	0.066	0.398	0.354	0.002	0.293
Compound_94	COc1cc2c(cc1OC)OC[C@@H]1[C@@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C	0.668	0.731	0.419	0.449	0.905	0.898	0.969	0.977	0.369	0.035	0.977
Compound_95	COc1ccccc1C[C@H](N)C	0.084	0.09	0.575	0.488	0.005	0.151	0.013	0.021	0.609	0.067	0.117
Compound_96	CN(Cc1cc(=O)oc2c1ccc(c2)O)C	0.674	0.675	0.69	0.417	0.319	0.689	0.073	0.368	0.264	0.142	0.126
Compound_97	COc1ccc2c(c1)oc(=O)cc2CN	0.703	0.68	0.928	0.707	0.082	0.354	0.007	0.229	0.58	0.041	0.404
Compound_98	COc1ccc2c(c1)oc(=O)cc2CN(C)C	0.094	0.719	0.827	0.524	0.059	0.317	0.004	0.193	0.422	0.244	0.216
Compound_99	CNCc1cc(=O)oc2c1ccc(c2)OC	0.077	0.61	0.934	0.582	0.154	0.137	0.019	0.34	0.828	0.048	0.256
Compound_100	Oc1ccc2c(c1O)ccc1c2cccc1	0.958	0.696	0.96	0.665	0.952	0.83	0.838	0.985	0.835	0.993	0.974
Compound_101	ONC(=N)N/N=C/c1c(Cl)cccc1Cl	0.524	0.463	0.971	0.442	0.443	0.63	0.027	0.238	0.269	0.355	0.479
Compound_102	ClCCN[P@@]1(=O)OCCCN1CCCl	0.053	0.278	0.16	0.356	0.397	0.124	0.001	0.994	0.8	0.049	0.087
Compound_103	CCCN1CCC[C@H](C1)c1cccc(c1)S(=O)(=O)C	0.1	0.441	0.034	0.076	0.032	0.421	0.0	0.007	0.372	0.067	0.061
Compound_104	OC[C@H]1CN(C)[C@H]2[C@@](C1)(OC)c1cccc3c1c(C2)cn3C	0.521	0.789	0.692	0.189	0.156	0.53	0.017	0.083	0.051	0.036	0.557
Compound_105	COc1cc2c(cc1OC)Cc1c2[nH][nH]c1=Nc1cccc(c1)F	0.684	0.751	0.982	0.694	0.716	0.683	0.946	0.19	0.729	0.222	0.453
Compound_106	NCC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F	0.111	0.466	0.072	0.509	0.694	0.923	0.749	0.023	0.053	0.002	0.364
Compound_107	Oc1ccc2c(c1)[nH]c(n2)S(=O)Cc1nccc(c1C)OCC(F)(F)F	0.385	0.589	0.996	0.443	0.51	0.69	0.894	0.881	0.274	0.102	0.47
Compound_108	CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C=O)Cl	0.495	0.799	0.712	0.558	0.48	0.739	0.996	0.748	0.75	0.754	0.392
Compound_109	COc1ccc(cc1)c1cc(nn1c1ccc(c(c1)CO)S(=O)(=O)N)C(F)(F)F	0.29	0.358	0.395	0.543	0.759	0.651	0.668	0.966	0.12	0.005	0.544
Compound_110	OCC(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C	0.011	0.367	0.061	0.087	0.611	0.837	0.008	0.048	0.162	0.001	0.042
Compound_111	OCC(N[C@H](C(=O)c1cccc(c1)Cl)C)(C)C	0.031	0.217	0.458	0.343	0.041	0.094	0.005	0.041	0.297	0.01	0.096
Compound_112	COc1ccc2c(c1)ccc(c2)C(CC(=O)C)O	0.149	0.738	0.508	0.464	0.542	0.899	0.508	0.476	0.742	0.075	0.396
Compound_113	CNCC[C@H](c1ccccc1)Oc1ccc(cc1C)O	0.066	0.485	0.043	0.24	0.5	0.307	0.261	0.133	0.157	0.001	0.067
Compound_114	OC1CCCn2c1c(C(=N)O)c(c2c1cccnc1)Cl	0.523	0.624	0.583	0.462	0.21	0.482	0.013	0.809	0.316	0.111	0.335
Compound_115	OCc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1	0.691	0.448	0.02	0.363	0.646	0.699	0.619	0.048	0.117	0.002	0.209
Compound_116	OCc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O	0.206	0.416	0.424	0.248	0.214	0.825	0.008	0.064	0.203	0.014	0.129
Compound_117	CCn1nnc(n1)C1=CCCNC1	0.139	0.484	0.24	0.389	0.058	0.162	0.001	0.232	0.459	0.05	0.088
Compound_118	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCC[C@@H]2O	0.447	0.551	0.649	0.114	0.303	0.68	0.017	0.105	0.445	0.019	0.169
Compound_119	COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(O)C	0.246	0.686	0.524	0.186	0.765	0.795	0.412	0.568	0.383	0.177	0.743
Compound_120	CN[C@H](C1(CCC1)c1ccc(cc1)Cl)CC(C)C	0.081	0.178	0.729	0.383	0.411	0.638	0.038	0.041	0.397	0.019	0.125
Compound_121	Oc1ccc(cc1)C1COc2c(C1=O)c(O)cc(c2)O	0.268	0.82	0.87	0.629	0.968	0.961	0.992	0.849	0.272	0.191	0.876
Compound_122	CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC	0.051	0.386	0.179	0.19	0.097	0.829	0.003	0.043	0.357	0.026	0.334
Compound_123	O=C1CC(C)(C)C(C(=O)N1CCCCN1CCN(CC1)c1ncccn1)O	0.027	0.456	0.017	0.12	0.118	0.384	0.007	0.477	0.247	0.007	0.043
Compound_124	CCC[C@@H]1O[C@H]2[C@](O1)(SC)[C@@]1([C@@H](C2)[C@@H]2C[C@H](F)C3=CC(=O)CC[C@@]3([C@]2([C@H](C1)O)F)C)C	0.611	0.97	0.023	0.912	0.953	0.655	0.542	0.475	0.379	0.974	0.37
Compound_125	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.724	0.589	0.02	0.287	0.312	0.499	0.012	0.146	0.076	0.035	0.5
Compound_126	OC1=Nc2c(CC1)ccc(c2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)O	0.418	0.658	0.345	0.364	0.908	0.731	0.163	0.151	0.516	0.056	0.418
Compound_127	CN1CCN(CC1)C(=N[C@H](C(=N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)O)Cc1ccccc1)O	0.39	0.403	0.012	0.249	0.265	0.651	0.058	0.085	0.392	0.32	0.114
Compound_128	COc1ccc(cn1)[C@@H](N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)CC(=O)O	0.572	0.516	0.342	0.236	0.071	0.557	0.122	0.161	0.26	0.2	0.433
Compound_129	CC(NCC[C@@H](c1cc(C)ccc1O)c1ccccc1)C	0.214	0.398	0.055	0.228	0.117	0.772	0.011	0.133	0.171	0.017	0.08
Compound_130	C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC(=C)[C@H]1[C@H]2CCC2=C[C@H](CC[C@H]12)O	0.935	1.0	0.132	0.483	0.959	0.873	0.014	0.988	0.613	0.999	0.665
Compound_131	ONc1nc2c(s1)cc(cc2)OC(F)(F)F	0.962	0.654	0.994	0.727	0.434	0.893	0.035	0.913	0.721	0.494	0.591
Compound_132	CNC[C@@H](C1(O)CCCCC1)c1ccc(cc1)OC	0.027	0.429	0.012	0.307	0.187	0.73	0.058	0.018	0.258	0.001	0.079
Compound_133	Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCNCC1	0.233	0.395	0.123	0.24	0.617	0.843	0.563	0.078	0.669	0.099	0.108
Compound_134	CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O	0.658	0.052	0.265	0.141	0.607	0.17	0.789	0.72	0.135	0.943	0.105
Compound_135	CCc1ccc(nc1)C(COc1ccc(cc1)CC1SC(=O)N=C1O)O	0.289	0.464	0.523	0.426	0.335	0.63	0.053	0.754	0.144	0.032	0.491
Compound_136	Oc1ccc(nc1)N(CCOc1ccc(cc1)CC1SC(=O)N=C1O)C	0.459	0.514	0.682	0.459	0.292	0.499	0.019	0.611	0.239	0.066	0.264
Compound_137	CN[C@@H]1CN(C[C@H]1OC)c1ccc2c(n1)n(cc(c2=O)C(=O)O)c1nccs1	0.757	0.571	0.002	0.224	0.231	0.686	0.05	0.296	0.313	0.027	0.635
Compound_138	CNCCOC1(CC2C(C1(C)CC2)(C)C)c1ccccc1	0.146	0.583	0.012	0.2	0.208	0.337	0.006	0.054	0.339	0.004	0.126
Compound_139	OC/C=C/[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21	0.928	0.96	0.616	0.617	0.959	0.988	0.842	0.748	0.295	0.013	0.588
Compound_140	O=C(c1ccc(cc1)CN1CCNCC1)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C	0.336	0.443	0.766	0.504	0.522	0.624	0.6	0.521	0.598	0.007	0.235
Compound_141	OCC(N[C@@H](C(=O)c1cccc(c1)Cl)C)(C)C	0.031	0.217	0.458	0.343	0.041	0.094	0.005	0.041	0.297	0.01	0.096
Compound_142	CNCC[C@H](c1ccccc1)Oc1ccccc1CO	0.036	0.476	0.013	0.179	0.107	0.22	0.02	0.011	0.071	0.004	0.088
Compound_143	COc1ccc(cc1C1(F)C(=Nc2c1ccc(c2)C(F)(F)F)O)Cl	0.278	0.61	0.947	0.469	0.875	0.669	0.895	0.119	0.44	0.976	0.943
Compound_144	COC([C@@]1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(c1ccc(cc1)Cl)Cc1nnn(n1)C)N)OC	0.516	0.695	0.42	0.376	0.45	0.719	0.004	0.489	0.314	0.256	0.742
Compound_145	OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2[C@@H](CC[C@@H](c3ccc(cc3)F)O)C(=O)N2c2ccc(cc2)F)[C@@H]([C@H]([C@@H]1O)O)O	0.628	0.473	0.168	0.38	0.718	0.614	0.378	0.302	0.406	0.221	0.369
Compound_146	COc1ccc(cc1C[C@@H]1COc2c([C@@H]1O)cc(cc2)OCc1sc2c(n1)cc(c(c2)F)F)NS(=O)(=O)C(F)(F)F	0.653	0.567	0.985	0.591	0.754	0.733	0.857	0.689	0.387	0.739	0.627
Compound_147	OC(=O)Cc1cc(C)ccc1Nc1c(F)cc(cc1Cl)O	0.239	0.532	0.287	0.338	0.947	0.684	0.998	0.009	0.634	0.067	0.253
Compound_148	O=C(c1ccc(cc1)n1cncc1)/C=C/c1ccc(cc1)N(C)C	0.542	0.67	0.79	0.655	0.44	0.864	0.451	0.465	0.952	0.737	0.712
Compound_149	CN=C(Cc1ccc2c(c1)n(cc2)C1CCN(CC1)CCc1ccccc1F)O	0.257	0.632	0.479	0.222	0.296	0.682	0.824	0.016	0.421	0.039	0.082
Compound_150	CC(CCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)O	0.153	0.686	0.076	0.332	0.314	0.691	0.606	0.478	0.244	0.867	0.401
Compound_151	COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)N=C(c1c(Cl)cccc1Cl)O)OC	0.368	0.677	0.349	0.432	0.965	0.752	0.726	0.111	0.249	0.153	0.057
Compound_152	CCc1ccc2c(n1)n(CC)c(=O)nc2C1CCCCC1	0.541	0.488	0.206	0.473	0.143	0.89	0.01	0.917	0.447	0.035	0.081
Compound_153	Oc1ccc(cc1CNC1CCCNC1c1ccccc1)OC(F)(F)F	0.08	0.467	0.087	0.42	0.684	0.364	0.319	0.072	0.288	0.007	0.397
Compound_154	O=c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)O)ccc(c1)OCc1ccccc1	0.72	0.781	0.934	0.697	0.959	0.846	0.997	0.868	0.72	0.188	0.78
Compound_155	COC1OCCN(C1)[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO	0.935	0.87	0.047	0.565	0.903	0.898	0.925	0.959	0.655	0.395	0.936
Compound_156	CCNCC#CCOC(=O)[C@@](c1ccccc1)(C1CCCCC1)O	0.192	0.427	0.023	0.398	0.077	0.468	0.002	0.008	0.257	0.014	0.114
Compound_157	C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCC(=O)C1(C)C	0.913	0.372	0.696	0.499	0.846	0.814	0.989	0.876	0.559	0.922	0.459
Compound_158	OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1\C(=Nc2c1ccc(c2)O)O	0.652	0.619	0.019	0.31	0.888	0.648	0.977	0.003	0.314	0.054	0.374
Compound_159	COCCCOc1ccnc(c1C)CSc1nc2c([nH]1)cccc2	0.235	0.603	0.857	0.468	0.349	0.723	0.417	0.364	0.382	0.155	0.654
Compound_160	CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)C[C@H](C1)NS(=O)(=O)N(CC)CC	0.511	0.582	0.278	0.263	0.096	0.706	0.645	0.023	0.225	0.979	0.348
Compound_161	OC(=O)[C@H]1OC(O[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCc3c2ccc(c3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.691	0.784	0.001	0.331	0.939	0.923	0.493	0.123	0.115	0.937	0.788
Compound_162	OCC(c1ccccc1CC[C@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCC1(CC1)CC(=O)O)(O)C	0.738	0.572	0.977	0.609	0.988	0.773	0.855	0.168	0.901	0.058	0.463
Compound_163	CCCCCC(/C=C/C=CCC=CCC=CCCCC(=O)O)O	0.735	0.052	0.265	0.141	0.536	0.218	0.87	0.72	0.195	0.943	0.105
Compound_164	Fc1ccccc1c1nnc2n1nc(OCc1n[nH]cn1)c(c2)C(C)(C)C	0.447	0.648	0.315	0.446	0.579	0.679	0.368	0.257	0.778	0.468	0.505
Compound_165	C=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O)O	0.671	0.573	0.059	0.322	0.464	0.121	0.014	0.156	0.078	0.006	0.528
Compound_166	OC1OC(=O)C(=C1c1ccc(cc1)S(=O)(=O)C)c1ccccc1	0.417	0.64	0.12	0.489	0.415	0.716	0.823	0.276	0.372	0.96	0.27
Compound_167	O=C(c1ccc(cc1)F)CCCn1ccc(=C2C=CC(=[Cl+])C=C2)cc1	0.399	0.421	0.622	0.181	0.369	0.851	0.444	0.158	0.143	0.06	0.492
Compound_168	CCOP(=O)(Cc1ccc(cc1)C(=Nc1ccc(cc1C#N)Br)O)O	0.578	0.686	0.611	0.373	0.702	0.652	0.901	0.073	0.518	0.775	0.595
Compound_169	CCN(C(=S=O)SC)CC	0.1	0.2	0.759	0.666	0.013	0.436	0.085	0.79	0.829	0.999	0.417
Compound_170	N#Cc1cnn2c1nccc2c1cccc(c1)N=C(O)C	0.342	0.631	0.227	0.541	0.426	0.541	0.029	0.328	0.648	0.2	0.604
Compound_171	COC(=O)c1c(C)nc(c(c1c1cccc(c1)N(=O)=O)C(=O)O)C	0.571	0.734	0.947	0.573	0.408	0.592	0.88	0.571	0.436	0.127	0.862
Compound_172	COC(=O)c1c(C)nc(c(c1c1cccc(c1)N(=O)=O)C(=O)OC/C=C/c1ccccc1)C	0.655	0.818	0.94	0.753	0.741	0.746	0.978	0.682	0.524	0.383	0.886
Compound_173	CC(OS(=O)(=O)O)(C)C	0.685	0.08	0.008	0.192	0.088	0.128	0.951	0.215	0.247	0.72	0.251
Compound_174	NC(=N)NC(=N)NCCc1ccc(cc1)O	0.048	0.234	0.262	0.383	0.08	0.889	0.001	0.728	0.152	0.0	0.014
Compound_175	OC(=Nc1c(C)cccc1C)[C@@H]1CCCCN1	0.103	0.454	0.008	0.157	0.023	0.015	0.0	0.002	0.368	0.002	0.019
Compound_176	CC(OC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)O)C)C	0.928	0.736	0.473	0.387	0.695	0.55	0.141	0.582	0.94	0.121	0.906
Compound_177	OC1CCC(CC1)n1nnnc1CCCCOc1ccc2c(c1)CCC(=O)N2	0.071	0.689	0.024	0.321	0.25	0.707	0.005	0.559	0.375	0.061	0.196
Compound_178	COc1ccc(cc1)CCN1CCC(CC1)N=c1[nH]c2c(n1Cc1ccc(cc1)F)cc(cc2)O	0.677	0.311	0.863	0.416	0.799	0.719	0.046	0.261	0.623	0.131	0.39
Compound_179	COc1ccc2c(c1)c(CC(=NCC(=O)c1ccccc1)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.267	0.723	0.898	0.381	0.928	0.947	0.998	0.092	0.396	0.411	0.423
Compound_180	Cc1[nH][nH]c(=Nc2nc(Sc3ccc(cc3)NC(=O)C3CC3)nc(c2)N2CCN(=O)(CC2)C)c1	0.382	0.526	0.513	0.48	0.533	0.64	0.088	0.278	0.394	0.017	0.536
Compound_181	CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2	0.304	0.497	0.107	0.388	0.659	0.361	0.073	0.036	0.378	0.025	0.737
Compound_182	OC1=Nc2c(C(C1)O)cc(cc2)OCCCCc1nnnn1C1CCCCC1	0.393	0.689	0.109	0.247	0.541	0.715	0.003	0.017	0.511	0.032	0.271
Compound_183	CC(NCC(OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)COc1cccc2c1cccc2)C	0.042	0.646	0.057	0.391	0.21	0.122	0.21	0.013	0.296	0.092	0.109
Compound_184	OC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=C)c1ccc(cc1)C(=O)O)C	0.793	0.522	0.028	0.4	0.756	0.978	0.775	0.405	0.056	0.996	0.65
Compound_185	OC(=O)Cc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)N=C1O	0.255	0.384	0.453	0.403	0.447	0.78	0.116	0.767	0.134	0.051	0.44
Compound_186	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)NC)C1=C3CCC(=O)C=C3CC[C@@H]21	0.929	0.972	0.691	0.623	0.92	0.974	0.879	0.944	0.524	0.279	0.824
Compound_187	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)NCCCCC(=O)O	0.95	0.769	0.1	0.482	0.72	0.841	0.281	0.436	0.383	0.071	0.883
Compound_188	CNCC[C@@H](c1cccs1)Oc1cccc2c1ccc(c2)O	0.223	0.498	0.097	0.268	0.629	0.791	0.409	0.363	0.606	0.01	0.16
Compound_189	OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)sc(c3C(=O)c2ccc(cc2)OCCN2CCCCC2)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.686	0.5	0.042	0.71	0.793	0.701	0.892	0.479	0.312	0.802	0.839
Compound_190	OC(=O)C(c1cccc(c1)Oc1ccc(cc1)O)C	0.19	0.71	0.038	0.369	0.944	0.295	0.993	0.031	0.198	0.282	0.479
Compound_191	OCCN=c1[nH]c2c(cccc2c2c1CCN2c1ccc(cc1C)OC)OC(F)(F)F	0.623	0.569	0.98	0.573	0.881	0.701	0.911	0.81	0.294	0.003	0.266
Compound_192	Fc1ccc(cc1)[C@@H]1NCCO[C@@H]1O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	0.137	0.459	0.11	0.489	0.41	0.589	0.278	0.086	0.511	0.018	0.083
Compound_193	OC(=O)CC(N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)c1ccc(nc1)O	0.557	0.508	0.092	0.212	0.43	0.613	0.018	0.113	0.256	0.307	0.338
Compound_194	O=C(c1c[nH]c2c1cccc2)OC1CC2CCC(C1)N2	0.154	0.545	0.74	0.352	0.403	0.625	0.067	0.382	0.233	0.27	0.151
Compound_195	ON([C@H](c1cc2c(s1)cccc2)C)C(=N)O	0.386	0.356	0.457	0.398	0.224	0.382	0.018	0.122	0.656	0.79	0.562
Compound_196	Oc1cnc(nc1)N1CCN(CC1)CCCCN1C(=O)CC(C(C1=O)O)(C)C	0.047	0.446	0.049	0.186	0.136	0.48	0.006	0.455	0.321	0.173	0.159
Compound_197	CN1CCC=C(C1)c1n[nH]nn1	0.123	0.572	0.034	0.148	0.067	0.258	0.001	0.049	0.652	0.004	0.078
Compound_198	Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1	0.096	0.351	0.035	0.121	0.487	0.563	0.068	0.091	0.371	0.062	0.351
Compound_199	CN(CCCN1c2ccccc2CCc2c1cc(Cl)c(c2)O)C	0.22	0.655	0.026	0.11	0.933	0.706	0.503	0.511	0.33	0.415	0.938
Compound_200	CNc1ccccc1C(=NC(=O)Nc1ccc(c(c1)C)Oc1ncc(cn1)Br)O	0.505	0.649	0.9	0.59	0.569	0.654	0.212	0.099	0.576	0.03	0.458
Compound_201	O=C1CC(C)(C)CC(=O)N1CCCCN1CCN(CC1)c1ncc(cn1)O	0.04	0.416	0.126	0.139	0.164	0.466	0.002	0.672	0.466	0.015	0.054
Compound_202	Cc1[nH][nH]c(=Nc2nc(Sc3ccc(cc3)NC(=O)C3CC3)nc(c2)N2CCNCC2)c1	0.381	0.583	0.158	0.351	0.5	0.625	0.067	0.208	0.339	0.006	0.161
Compound_203	C=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.681	0.649	0.05	0.395	0.346	0.53	0.087	0.168	0.111	0.049	0.47
Compound_204	CCN(CCCN(C1Cc2c(C1)ccc(c2)O)c1ccccc1)CC	0.284	0.64	0.307	0.306	0.649	0.716	0.011	0.412	0.339	0.9	0.866
Compound_205	C[C@H]1[C@@H](OCc2ccc(cc2)C(=O)O)O[C@H]2[C@@]34[C@H]1CC[C@H]([C@@H]4CC[C@](O2)(OO3)C)C	0.84	0.836	0.012	0.422	0.87	0.458	0.949	0.854	0.219	0.84	0.897
Compound_206	O=C1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O	0.632	0.43	0.133	0.283	0.068	0.244	0.023	0.071	0.056	0.002	0.314
Compound_207	COc1ccc2c(c1)[nH]cc2C(=O)c1cc(OC)c(c(c1)OC)OC	0.348	0.798	0.92	0.653	0.667	0.668	0.433	0.246	0.889	0.052	0.988
Compound_208	COc1c(OC2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccccc1	0.593	0.806	0.091	0.59	0.888	0.374	0.231	0.838	0.311	0.057	0.594
Compound_209	CCc1nn(c(=O)n1CCOc1ccccc1)CCCO	0.162	0.437	0.156	0.499	0.041	0.313	0.027	0.068	0.327	0.004	0.198
Compound_210	CN1C2CCC1CC(C2)N=C(c1cc(Cl)cc2c1OC(C2O)(C)C)O	0.427	0.705	0.155	0.119	0.108	0.26	0.009	0.017	0.286	0.315	0.478
Compound_211	Cc1c(ccnc1CS(=O)(=O)c1nc2c([nH]1)cccc2)OCC(F)(F)F	0.292	0.548	1.0	0.503	0.381	0.713	0.874	0.895	0.31	0.12	0.288
Compound_212	COC(=O)c1c(C)nc(c(c1c1ccccc1N(=O)=O)C(=O)OCC(C)C)C	0.642	0.762	0.504	0.703	0.468	0.647	0.618	0.772	0.45	0.065	0.827
Compound_213	CC/C(=C(\c1ccc(c(c1)O)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1	0.46	0.503	0.011	0.867	0.96	0.586	0.01	0.632	0.1	0.027	0.208
Compound_214	OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)O)F	0.906	1.0	0.231	0.983	0.84	0.929	0.007	0.01	0.093	0.018	0.06
Compound_215	O=C1N(/N=C/c2ccc(o2)c2ccc(cc2)Cl)CC(=O)N1CCCCN1CCNCC1	0.196	0.495	0.144	0.452	0.219	0.639	0.075	0.225	0.212	0.006	0.191
Compound_216	COc1cc(ccc1Cc1cn(c2c1cc(cc2)N=C(OC1CCC(C1)O)O)C)C(=NS(=O)(=O)c1ccccc1C)O	0.699	0.649	0.804	0.524	0.727	0.676	0.741	0.716	0.155	0.79	0.331
Compound_217	CC(COc1c(C)cccc1C)O	0.098	0.145	0.07	0.464	0.096	0.115	0.057	0.074	0.334	0.734	0.341
Compound_218	CCCNCCc1cccc2c1CC(=N2)O	0.047	0.411	0.16	0.205	0.032	0.012	0.001	0.006	0.253	0.224	0.291
Compound_219	CNCC(CN1c2ccccc2Sc2c1cc(C#N)cc2)C	0.067	0.602	0.086	0.326	0.88	0.219	0.406	0.01	0.561	0.136	0.688
Compound_220	CC(=Nc1ccc(cc1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.216	0.628	0.013	0.334	0.517	0.368	0.064	0.026	0.088	0.646	0.056
Compound_221	COc1c(C)cnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)O	0.352	0.579	0.993	0.432	0.439	0.696	0.165	0.144	0.394	0.332	0.301
Compound_222	Oc1ccc(cc1Cl)N1CCNCC1	0.149	0.427	0.031	0.272	0.697	0.228	0.002	0.758	0.485	0.027	0.405
Compound_223	COc1c2OC3C(c2cc2c1oc(=O)cc2)O3	0.632	0.587	0.916	0.642	0.764	0.551	0.138	0.452	0.855	0.158	0.801
Compound_224	Oc1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1	0.13	0.483	0.449	0.35	0.709	0.965	0.003	0.947	0.557	0.106	0.202
Compound_225	OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)c2c1cccc2	0.184	0.505	0.447	0.355	0.717	0.347	0.016	0.13	0.157	0.119	0.135
Compound_226	OCCOC(=O)c1c(C)nc(c(c1c1cccc(c1)N(=O)=O)C(=O)OC(C)C)C	0.533	0.699	0.775	0.726	0.402	0.533	0.149	0.476	0.399	0.019	0.649
Compound_227	CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1ccc(c(c1)Cl)O	0.357	0.71	0.159	0.405	0.737	0.839	0.102	0.72	0.438	0.009	0.355
Compound_228	CCn1nnc(n1)C1=CCCN(=O)(C1)C	0.353	0.572	0.049	0.532	0.081	0.363	0.006	0.939	0.63	0.092	0.506
Compound_229	OCCCOc1cccc(c1)CN1CCCCC1	0.015	0.326	0.337	0.228	0.026	0.266	0.002	0.097	0.129	0.038	0.013
Compound_230	CC(c1cc(cc(c1O)C(C)C)OS(=O)(=O)O)C	0.366	0.312	0.079	0.334	0.46	0.328	0.075	0.025	0.266	0.971	0.174
Compound_231	OC(COc1cccc2c1cccc2O)CNC(C)C	0.016	0.546	0.061	0.145	0.223	0.022	0.326	0.001	0.177	0.056	0.056
Compound_232	COc1cc2c(cc1OC)CC(C2=O)CC1CCNCC1	0.171	0.497	0.255	0.372	0.048	0.631	0.03	0.056	0.376	0.004	0.045
Compound_233	COc1cc(cc(c1OC)OC)C(=O)c1c[nH]c2c1ccc(c2)O	0.511	0.774	0.878	0.691	0.724	0.67	0.441	0.322	0.859	0.05	0.986
Compound_234	Clc1ccc2c(c1)N(CCCN1CCNCC1)c1c(S2)cccc1	0.043	0.34	0.322	0.2	0.779	0.645	0.484	0.666	0.602	0.015	0.106
Compound_235	O=c1ccc2c(o1)cc1c(c2)C2C(O1)O2	0.673	0.538	0.93	0.644	0.814	0.676	0.323	0.653	0.908	0.446	0.784
Compound_236	Oc1ccccc1OC(c1ccccc1)C1CNCCO1	0.075	0.505	0.011	0.298	0.345	0.064	0.047	0.014	0.192	0.019	0.202
Compound_237	CC(Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O)C	0.889	0.863	0.959	0.876	0.937	0.982	0.967	0.981	0.945	0.047	0.955
Compound_238	CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/C(O)C)/c1ccccc1	0.078	0.437	0.007	0.3	0.866	0.888	0.009	0.007	0.272	0.014	0.078
Compound_239	COc1ccc2c(c1)c(CC(=NCC(c1ccccc1)O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.287	0.724	0.754	0.375	0.925	0.936	0.979	0.117	0.269	0.531	0.517
Compound_240	Oc1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccc(cc1)F)c1ccc(cc1)F	0.189	0.485	0.195	0.316	0.924	0.879	0.903	0.259	0.807	0.368	0.173
Compound_241	O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2=C1CCCC2	0.339	0.664	0.879	0.124	0.312	0.811	0.048	0.948	0.511	0.506	0.129
Compound_242	O=C(Nc1ccc(cc1)O)/C=C/c1c([nH]c2c1c(Cl)cc(c2)Cl)C(=O)O	0.54	0.627	0.738	0.684	0.92	0.666	0.978	0.716	0.79	0.954	0.886
Compound_243	C(Cc1c[nH]c2c1cc(cc2)n1cnnc1)CN1CCNCC1	0.214	0.406	0.131	0.356	0.315	0.708	0.559	0.268	0.488	0.006	0.088
Compound_244	Oc1ccc(c(c1)OS(=O)(=O)O)C(=O)C	0.844	0.306	0.153	0.351	0.666	0.729	0.465	0.044	0.395	0.476	0.162
Compound_245	O=N(=O)c1cc(ccc1COS(=O)(=O)O)N(=O)=O	0.675	0.459	0.169	0.305	0.223	0.427	0.985	0.905	0.381	0.033	0.455
Compound_246	CCCN(CCc1ccc(c(c1)OCCc1ccccc1)O)CCC	0.073	0.426	0.299	0.353	0.285	0.323	0.005	0.078	0.57	0.188	0.3
Compound_247	CCCNCCc1ccc(c(c1)OCCc1ccccc1)OC	0.04	0.429	0.136	0.346	0.074	0.456	0.019	0.097	0.32	0.022	0.217
Compound_248	Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2O	0.443	0.618	0.428	0.543	0.518	0.797	0.649	0.676	0.319	0.009	0.269
Compound_249	Oc1cnc2c(c1)C(=Nc1c(N2C2CC2)nccc1C)O	0.45	0.663	0.104	0.375	0.388	0.506	0.017	0.026	0.545	0.074	0.176
Compound_250	OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)C[C@@H](c2ccccc2C(O)(C)C)O)CC1	0.808	0.514	0.959	0.634	0.986	0.758	0.754	0.233	0.881	0.188	0.524
Compound_251	Oc1cc(O)c(cc1OS(=O)(=O)O)C(=O)C	0.843	0.334	0.213	0.341	0.649	0.617	0.463	0.039	0.302	0.401	0.174
Compound_252	Oc1cc(C)c2c(n1)N(C1CC1)c1ncccc1C(=N2)O	0.523	0.65	0.064	0.368	0.575	0.588	0.009	0.007	0.503	0.085	0.186
Compound_253	CSc1nc(c([nH]1)c1ccnc(c1)N[C@@H](c1ccccc1)C)c1ccc(cc1)F	0.387	0.625	0.904	0.576	0.475	0.798	0.993	0.138	0.451	0.047	0.307
Compound_254	CS(=O)(=O)c1cccc(c1)C1CCCNC1	0.072	0.323	0.029	0.271	0.027	0.306	0.0	0.006	0.334	0.025	0.046
Compound_255	OC1=NCS[C@H]1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.353	0.566	0.012	0.354	0.432	0.836	0.117	0.543	0.743	0.656	0.376
Compound_256	Oc1cnc2c(c1C)N=C(O)c1c(N2C2CC2)nccc1	0.495	0.661	0.183	0.392	0.41	0.53	0.01	0.009	0.523	0.034	0.172
Compound_257	O=C1C[C@]2([C@@H]([C@H]1C)C2)C(O)(C)C	0.789	0.489	0.034	0.427	0.542	0.338	0.076	0.213	0.257	0.581	0.476
Compound_258	FC(OC([C@@H](Cl)F)(F)F)F	0.931	0.082	0.64	0.603	0.17	0.042	0.961	0.996	0.441	0.998	0.988
Compound_259	COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)O	0.574	0.658	0.938	0.34	0.82	0.82	0.542	0.983	0.319	0.942	0.908
Compound_260	CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c1n[nH]c2c1cccc2	0.566	0.579	0.121	0.213	0.544	0.688	0.251	0.844	0.464	0.071	0.314
Compound_261	Clc1ccc(cc1)NCc1nnn(n1)C	0.588	0.577	0.852	0.492	0.204	0.646	0.021	0.614	0.78	0.006	0.246
Compound_262	C=CCc1cc(OC)c(c(c1)O)O	0.894	0.314	0.912	0.659	0.756	0.061	0.894	0.995	0.421	0.86	0.221
Compound_263	BrCc1ccccc1I	0.854	0.147	0.818	0.663	0.272	0.36	0.999	0.967	0.511	0.999	0.525
Compound_264	COc1cc2c(cc1O)CC(C2=O)CC1CCN(CC1)Cc1ccccc1	0.442	0.726	0.787	0.594	0.456	0.749	0.102	0.324	0.276	0.025	0.07
Compound_265	CCOc1ccccc1OCCNC(Cc1ccc(c(c1)S(=O)(=O)N)O)C	0.05	0.614	0.053	0.207	0.248	0.524	0.031	0.006	0.215	0.012	0.165
Compound_266	N#Cc1cccc2c1cc(s2)C(=O)NC(=N)N	0.561	0.522	0.971	0.476	0.49	0.6	0.851	0.373	0.503	0.211	0.47
Compound_267	OC(=O)c1cc(O)c2c(n1)c(ccc2)OS(=O)(=O)O	0.657	0.47	0.758	0.483	0.674	0.589	0.921	0.79	0.415	0.505	0.565
Compound_268	OC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F	0.178	0.599	0.53	0.415	0.096	0.596	0.159	0.576	0.358	0.098	0.121
Compound_269	COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncn(=O)c1C)c1ccc(cc1)C(F)(F)F	0.385	0.716	0.153	0.394	0.127	0.624	0.241	0.922	0.394	0.384	0.622
Compound_270	C[C@@H]1NCCN(C1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C	0.183	0.492	0.266	0.306	0.029	0.466	0.005	0.429	0.405	0.027	0.038
Compound_271	COc1ccc2c(c1)[nH]cc2C(=O)c1cc(OC)c(c(c1)OC)O	0.369	0.808	0.837	0.698	0.736	0.655	0.441	0.213	0.824	0.045	0.992
Compound_272	Clc1ccc2c(c1)C(=NC(c1n2cnn1)O)c1ccccc1	0.645	0.694	0.51	0.581	0.471	0.807	0.288	0.203	0.868	0.696	0.539
Compound_273	NCc1cc(ccc1O)OC(F)(F)F	0.208	0.228	0.804	0.742	0.42	0.113	0.319	0.309	0.245	0.004	0.399
Compound_274	Fc1ccc2c(c1)onc2C1CCN(CC1)CCCOc1ccc(cc1O)C(=O)C	0.343	0.606	0.479	0.234	0.842	0.752	0.631	0.939	0.363	0.499	0.632
Compound_275	COc1ccc2c3c1O[C@@H]1[C@]3(C=C[C@@H](C1)O)CCN(=O)(C2)C	0.736	0.649	0.3	0.619	0.433	0.57	0.003	0.955	0.079	0.049	0.348
Compound_276	Clc1cccc(c1)N1CCN(CC1)CCCn1nc(n(c1=O)CCOc1ccccc1)C(O)C	0.344	0.64	0.505	0.264	0.41	0.815	0.081	0.336	0.414	0.004	0.292
Compound_277	OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)C[C@H](c2ccccc2C(O)(C)C)O)CC1	0.808	0.514	0.959	0.634	0.986	0.758	0.754	0.233	0.881	0.188	0.524
Compound_278	CC1(C)[C@@H]2CC[C@@]3([C@@]1(O)CC=C[C@@H]3C2)C	0.964	0.76	0.214	0.568	0.835	0.389	0.255	0.822	0.55	0.996	0.612
Compound_279	COc1ccc(cc1)[C@H](C1(O)CCCCC1)CN(C)C	0.07	0.384	0.002	0.232	0.249	0.87	0.039	0.06	0.233	0.004	0.06
Compound_280	CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O	0.64	0.052	0.265	0.141	0.547	0.197	0.831	0.581	0.222	0.943	0.105
Compound_281	O=C1N=C(C(S1)Cc1ccc(cc1)OCCNc1ccccn1)O	0.366	0.502	0.595	0.494	0.276	0.491	0.015	0.402	0.302	0.026	0.173
Compound_282	COc1c(OC2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c2c1oc(cc2=O)c1ccccc1)O	0.583	0.774	0.109	0.556	0.871	0.621	0.231	0.844	0.172	0.06	0.824
Compound_283	C[C@H](Cc1ccc(cc1)O)N	0.117	0.157	0.445	0.457	0.067	0.506	0.002	0.1	0.62	0.031	0.057
Compound_284	C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=N[C@H](C(=O)O)Cc1ccccc1)O	0.613	0.531	0.074	0.39	0.805	0.765	0.919	0.007	0.429	0.682	0.107
Compound_285	Clc1ccc2c(c1)C(=N[C@H](C(=O)N2C)O)c1ccccc1	0.848	0.812	0.711	0.737	0.604	0.871	0.569	0.265	0.787	0.83	0.653
Compound_286	C[C@H](C(C)(C)C)NC(=NC#N)N=c1cc[nH]cc1	0.17	0.378	0.036	0.446	0.344	0.289	0.0	0.071	0.583	0.166	0.238
Compound_287	Cc1ccc(c(c1)OS(=O)(=O)O)C(C)C	0.423	0.328	0.194	0.288	0.231	0.341	0.482	0.026	0.384	0.966	0.179
Compound_288	NCc1cc(=O)oc2c1ccc(c2)O	0.04	0.533	0.9	0.459	0.375	0.621	0.009	0.409	0.402	0.047	0.565
Compound_289	CNCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OC)C	0.894	0.597	0.268	0.46	0.605	0.314	0.054	0.033	0.747	0.135	0.694
Compound_290	COc1cc(O)c(cc1O)C(=O)C	0.922	0.179	0.88	0.626	0.661	0.287	0.704	0.082	0.491	0.284	0.415
Compound_291	CC(c1ccc(cc1)c1sccc1C)C(=O)O	0.179	0.625	0.167	0.334	0.221	0.421	0.931	0.068	0.328	0.046	0.038
Compound_292	OC(=O)CCC(C1CCC2C1(C)CCC1C2C(O)CC2C1(C)CCC(=O)C2)C	0.745	0.905	0.016	0.2	0.783	0.907	0.019	0.731	0.074	0.957	0.225
Compound_293	CN1CCC[C@H](CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.553	0.675	0.43	0.281	0.534	0.744	0.447	0.22	0.323	0.006	0.282
Compound_294	CN1CCC[C@@H](CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.553	0.675	0.43	0.281	0.534	0.744	0.447	0.22	0.323	0.006	0.282
Compound_295	OCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.511	0.248	0.136	0.524	0.051	0.024	0.213	0.333	0.28	0.003	0.166
Compound_296	CN(CCOC1=Cc2ccccc2S(=O)c2c1cc(Cl)cc2)C	0.375	0.533	0.187	0.27	0.627	0.428	0.019	0.172	0.265	0.423	0.658
Compound_297	CN(CCOC1=Cc2cc(O)ccc2Sc2c1cc(Cl)cc2)C	0.391	0.486	0.261	0.342	0.726	0.532	0.018	0.396	0.188	0.114	0.925
Compound_298	CN(CCOC1=Cc2ccc(cc2Sc2c1cc(Cl)cc2)O)C	0.427	0.486	0.175	0.379	0.796	0.62	0.004	0.141	0.194	0.114	0.925
Compound_299	OC(=O)[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.706	0.76	0.103	0.567	0.863	0.643	0.864	0.72	0.466	0.054	0.719
Compound_300	CCOc1cc2oc(=O)ccc2cc1O	0.855	0.437	0.728	0.541	0.893	0.055	0.03	0.501	0.566	0.294	0.66
Compound_301	N[P@@]1(=O)OCCCN1CCCl	0.063	0.349	0.031	0.381	0.405	0.127	0.201	0.63	0.818	0.042	0.167
Compound_302	CC(CCCCCCCCCCCC(=O)O)O	0.777	0.037	0.05	0.114	0.074	0.016	0.928	0.684	0.023	0.528	0.026
Compound_303	C=C[C@@]1(O)CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	0.112	0.733	0.963	0.345	0.532	0.544	0.024	0.061	0.317	0.011	0.259
Compound_304	CCc1cc2c(s1)n1c(C)nnc1C(N=C2c1ccccc1Cl)O	0.845	0.627	0.439	0.588	0.122	0.849	0.926	0.231	0.86	0.225	0.286
Compound_305	COc1ccccc1NO	0.853	0.364	0.883	0.662	0.095	0.213	0.945	0.046	0.505	0.929	0.375
Compound_306	Oc1cc(O)c2c(c1)oc(c(c2=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	0.749	0.72	0.175	0.603	0.906	0.564	0.359	0.71	0.336	0.056	0.89
Compound_307	COc1cc2CC[C@@H]3[C@@H](c2cc1O)CC[C@]1([C@H]3CC[C@@H]1O)C	0.959	0.9	0.007	0.48	0.952	0.753	0.235	0.726	0.06	0.931	0.889
Compound_308	Clc1ccc2c(c1)C(=Cc1c(S2)cccc1)OCCN(=O)(C)C	0.336	0.532	0.487	0.714	0.707	0.442	0.02	0.469	0.312	0.107	0.544
Compound_309	OC1C=Cc2c(C1O)c(C)c1c(n2)c2ccccc2cc1	0.473	0.654	0.782	0.52	0.772	0.553	0.559	0.78	0.562	0.088	0.917
Compound_310	Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cc(O)cc2	0.557	0.492	0.663	0.332	0.883	0.559	0.873	0.227	0.333	0.809	0.247
Compound_311	CNCCC[C@](c1ccc(c(c1)OC)OC)(C(C)C)C#N	0.055	0.369	0.042	0.332	0.155	0.385	0.004	0.102	0.455	0.001	0.078
Compound_312	COc1ccc(cc1)[C@@H](C(Cl)(Cl)Cl)c1ccc(cc1)O	0.956	0.638	0.33	0.8	0.95	0.984	0.954	0.049	0.172	0.427	0.985
Compound_313	OCC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21	0.946	0.96	0.682	0.63	0.924	0.977	0.93	0.732	0.54	0.013	0.763
Compound_314	CCOc1ccc2c3c1OC1C43CCNC(C2)C4C=CC1O	0.639	0.317	0.061	0.216	0.13	0.098	0.02	0.364	0.032	0.018	0.517
Compound_315	O[C@@H]1[C@@H](O)C(Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2CCC3=O)C)O[C@@H]([C@H]1O)C(=O)O	0.547	0.759	0.005	0.3	0.811	0.813	0.408	0.613	0.084	0.476	0.966
Compound_316	O[C@@H]1[C@@H](O)C(Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2CC[C@@H]3O)C)O[C@@H]([C@H]1O)C(=O)O	0.571	0.871	0.005	0.365	0.871	0.834	0.678	0.771	0.108	0.918	0.439
Compound_317	CCCCCC=CCC(/C=C/C=CCC=CCCCC(=O)O)O	0.64	0.052	0.265	0.141	0.547	0.197	0.831	0.581	0.222	0.943	0.105
Compound_318	COc1cc2CC[C@@H]3[C@@H](c2cc1O)CC[C@]1([C@H]3CCC1=O)C	0.939	0.853	0.068	0.429	0.915	0.827	0.089	0.208	0.053	0.905	0.931
Compound_319	OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CC(C2=CC(=O)C=C[C@]12C)O)F	0.906	1.0	0.231	0.983	0.84	0.929	0.007	0.01	0.093	0.018	0.06
Compound_320	CCN[C@H](Cc1ccc2c(c1)OCO2)C	0.072	0.373	0.671	0.268	0.009	0.309	0.004	0.018	0.108	0.67	0.374
Compound_321	OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)NC)C1=C3CCC(=O)C=C3CCC21	0.897	0.931	0.653	0.654	0.943	0.984	0.549	0.643	0.164	0.005	0.352
Compound_322	O=CC1(C)C(CCC2(C1CCC1(C2CC=C2C1(C)CCC1(C2CC(CC1)(C)C)C(=O)O)C)C)OC1OC(C(=O)O)C(C(C1O)O)O	0.639	0.97	0.013	0.486	0.859	0.873	0.685	0.758	0.33	0.52	0.164
Compound_323	COC1(C)CC(C)C(=O)C(C)C(O)C(C)(O)C(OC(=O)C(C(C(C1OC1OC(C)CC(C1O)N(C)C)C)OC1OC(C)C(C(C1)(C)OC)O)C)C(O)C	0.056	0.664	0.0	0.147	0.375	0.614	0.003	0.144	0.268	0.045	0.142
Compound_324	OC(=O)[C@H]1O[C@@H](Oc2cc3c(cc2O)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2CCC3=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.636	0.779	0.002	0.335	0.82	0.541	0.32	0.437	0.094	0.485	0.942
Compound_325	O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)Oc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.653	0.871	0.002	0.358	0.872	0.59	0.563	0.555	0.113	0.918	0.439
Compound_326	Oc1cc(O)c2c(c1)oc(c(c2=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1cc(O)c(c(c1)O)O	0.748	0.76	0.194	0.527	0.869	0.65	0.352	0.716	0.357	0.054	0.719
Compound_327	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(c1ccccc1)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.854	0.717	0.023	0.513	0.897	0.831	0.287	0.108	0.362	0.576	0.716
Compound_328	OCC1(C)C2CCC(C1=O)(C2)C	0.869	0.669	0.121	0.445	0.47	0.211	0.023	0.164	0.042	0.111	0.442
Compound_329	CCC1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O	0.555	0.875	0.206	0.406	0.867	0.657	0.971	0.159	0.181	0.673	0.918
Compound_330	CCCCCC=CC=CC(CC=CCC=CCCCC(=O)O)O	0.669	0.052	0.265	0.141	0.547	0.197	0.831	0.581	0.222	0.943	0.105
Compound_331	CNCC/C=C/1\c2cc(ccc2OCc2c1cccc2)CC(=O)O	0.178	0.551	0.04	0.227	0.524	0.622	0.427	0.029	0.236	0.143	0.137
Compound_332	CCC1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O	0.596	0.754	0.39	0.321	0.785	0.655	0.956	0.067	0.216	0.656	0.95
Compound_333	CCC/C(=C/C=C)/C(=O)O	0.651	0.106	0.18	0.31	0.425	0.054	0.963	0.787	0.361	0.572	0.697
Compound_334	COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1	0.764	0.735	0.886	0.629	0.875	0.722	0.422	0.949	0.328	0.168	0.478
Compound_335	Oc1ccc(cc1)N1C(=O)CC(=O)N(c2c1cc(Cl)cc2)C	0.786	0.674	0.796	0.65	0.808	0.716	0.809	0.334	0.567	0.185	0.847
Compound_336	OC1CCC2(C(C1)C(O)C(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C	0.605	0.886	0.047	0.191	0.799	0.81	0.086	0.795	0.056	0.928	0.065
Compound_337	O=C1C=C2CC[C@@H]3[C@@H]([C@]2(C[C@H]1O)C)CC[C@]1([C@H]3CC[C@@H]1O)C	0.973	1.0	0.026	0.846	0.806	0.922	0.004	0.927	0.062	0.861	0.048
Compound_338	O=C1C=C2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1O)C)CC[C@]1([C@H]3CC[C@@H]1O)C	0.973	1.0	0.026	0.846	0.806	0.922	0.004	0.927	0.062	0.861	0.048
Compound_339	O[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C	0.968	1.0	0.028	0.744	0.678	0.928	0.004	0.822	0.064	0.872	0.087
Compound_340	Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)n1cnnc1O)Cn1cncn1	0.196	0.677	0.904	0.791	0.725	0.653	0.791	0.945	0.413	0.517	0.522
Compound_341	OC(=O)C(N=C(c1cc(Cl)c2c(c1O)C(=O)OC(C2O)C)O)Cc1ccccc1	0.64	0.526	0.105	0.387	0.76	0.698	0.937	0.007	0.416	0.706	0.12
Compound_342	COc1cc2CC(C(=O)c2cc1O)CC1CCN(CC1)Cc1ccccc1	0.487	0.756	0.787	0.594	0.456	0.749	0.102	0.324	0.276	0.017	0.11
Compound_343	CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cc(O)cc2	0.331	0.615	0.442	0.305	0.662	0.653	0.148	0.295	0.102	0.188	0.507
Compound_344	C=C[C@H]1CN2(=O)CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	0.129	0.692	0.892	0.512	0.616	0.603	0.023	0.819	0.454	0.024	0.403
Compound_345	OC1CC2CC1(C)C(=O)C2(C)C	0.84	0.531	0.031	0.496	0.634	0.307	0.04	0.306	0.071	0.497	0.173
Compound_346	COc1cc(OC)c2c(c1)oc(c(c2=O)O)c1ccccc1	0.784	0.88	0.926	0.873	0.856	0.872	0.998	0.964	0.902	0.006	0.922
Compound_347	O=C1[C@@H](C)S[C@@H](N1C)c1cccnc1	0.12	0.45	0.518	0.522	0.03	0.116	0.024	0.03	0.309	0.02	0.057
Compound_348	O=S1C(C)C(=O)N(C1c1cccnc1)C	0.21	0.437	0.267	0.469	0.057	0.18	0.035	0.002	0.336	0.154	0.086
Compound_349	OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)NC)C1=C3CCC(=O)C=C3CCC21	0.904	0.931	0.662	0.595	0.899	0.977	0.669	0.579	0.1	0.005	0.352
Compound_350	O=S1CC2(OC1C)CN1CCC2CC1	0.441	0.714	0.011	0.218	0.087	0.098	0.005	0.081	0.348	0.525	0.213
Compound_351	Clc1cc2CC(Oc2c(c1)C(=NC1CC2CCC(C1)N2)O)(C)C	0.334	0.648	0.27	0.33	0.1	0.32	0.057	0.029	0.511	0.562	0.372
Compound_352	CC(COC(=O)C1=C(C)NC(=C(C1c1ccccc1N(=O)=O)C(=O)O)C)C	0.47	0.738	0.254	0.391	0.43	0.549	0.015	0.523	0.934	0.038	0.871
Compound_353	CCCCSC[C@@H](C(=NCC(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O	0.139	0.059	0.004	0.28	0.305	0.012	0.0	0.005	0.147	0.096	0.114
Compound_354	OCCc1ccc2c3c1ccc1c3c(cc2)ccc1	0.183	0.453	0.978	0.559	0.791	0.856	0.981	0.491	0.481	0.726	0.78
Compound_355	Oc1ccc(cc1C(=NCC1CCCCN1)O)OCC(F)(F)F	0.349	0.431	0.176	0.316	0.389	0.134	0.049	0.025	0.198	0.002	0.097
Compound_356	COC(=O)C(c1ccccc1Cl)N1CCC2=C(C1)CC(=O)S2	0.404	0.649	0.271	0.368	0.661	0.149	0.414	0.402	0.219	0.226	0.206
Compound_357	Clc1ccccc1C1=NCc2n(c3c1cc(s3)C(O)C)c(nn2)C	0.833	0.727	0.537	0.711	0.122	0.855	0.87	0.111	0.85	0.021	0.378
Compound_358	OCCCOc1ccnc(c1C)CSc1nc2c([nH]1)cccc2	0.198	0.526	0.665	0.4	0.34	0.718	0.166	0.06	0.223	0.048	0.691
Compound_359	N#Cc1nn(c(c1[S@](=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.31	0.358	0.498	0.573	0.728	0.645	0.593	0.964	0.748	0.215	0.727
Compound_360	OC(=O)CC1(CC1)CS(=O)[C@@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)CCc1ccccc1C(O)(C)C	0.769	0.629	0.989	0.518	0.975	0.737	0.479	0.773	0.9	0.475	0.464
Compound_361	COc1ccc(cc1OCc1ccccc1)c1oc2cc(O)cc(c2c(=O)c1OC)O	0.758	0.88	0.929	0.83	0.925	0.645	0.865	0.972	0.466	0.011	0.79
Compound_362	CC1C=CC(=O)C=C1	0.871	0.218	0.618	0.687	0.141	0.03	0.545	0.832	0.932	0.999	0.335
Compound_363	CCc1c[nH]c2c1cc(O)cc2	0.382	0.594	0.951	0.552	0.5	0.655	0.002	0.748	0.783	0.795	0.831
Compound_364	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.67	0.76	0.133	0.591	0.852	0.339	0.39	0.71	0.302	0.054	0.719
Compound_365	Oc1c(O)ccc2c1cc1ccc3c4c1c2c1ccccc1c4ccc3	0.958	0.696	0.964	0.699	0.991	0.896	0.729	0.969	0.771	0.993	0.974
Compound_366	COc1ccc2c(c1)oc(=O)c(c2C)CC[N+](CC)(CC)C	0.409	0.745	0.718	0.656	0.067	0.43	0.021	0.195	0.459	0.123	0.393
Compound_367	Clc1ccccc1c1cc(Cl)c(c(c1)Cl)O	0.966	0.715	0.835	0.741	0.927	0.629	0.98	0.947	0.924	0.991	0.987
Compound_368	COc1ccc(cc1OC)CCNCCC[C@](c1ccc(c(c1)OC)OC)(C(C)C)C#N	0.029	0.485	0.05	0.443	0.14	0.635	0.029	0.282	0.338	0.002	0.391
Compound_369	c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)C1OC1C=C3	0.636	0.659	0.909	0.663	0.963	0.93	0.933	0.981	0.811	0.998	0.937
Compound_370	O=C1C(CCc2c1c1cccc(c1n2C)OS(=O)(=O)O)Cn1ccnc1C	0.534	0.727	0.126	0.336	0.411	0.656	0.832	0.282	0.221	0.154	0.518
Compound_371	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]([C@@H]2O)O)C)C	0.964	1.0	0.03	0.805	0.95	0.878	0.026	0.808	0.059	0.861	0.036
Compound_372	OCC(OC(=N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)O)OC(=O)C)O)c1ccccc1)O)(C)C	0.842	0.709	0.002	0.496	0.816	0.865	0.3	0.072	0.363	0.502	0.751
Compound_373	CNCc1cc(=O)oc2c1ccc(c2)O	0.043	0.629	0.8	0.336	0.281	0.464	0.013	0.374	0.751	0.047	0.24
Compound_374	CCC(C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)(C)C	0.932	0.91	0.011	0.756	0.939	0.766	0.02	0.998	0.525	0.99	0.337
Compound_375	Cc1ccc2c(c1)c(=O)c(c(o2)c1ccc2c(c1)OCO2)O	0.689	0.791	0.992	0.748	0.51	0.775	0.974	0.99	0.437	0.057	0.686
Compound_376	OC1=Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1ns(=O)c2c1cccc2	0.339	0.556	0.421	0.422	0.622	0.696	0.257	0.117	0.432	0.047	0.148
Compound_377	OC(=O)[C@H]1OC(OC(=O)c2nn(c3c2cccc3)Cc2ccc(cc2Cl)Cl)[C@@H]([C@H]([C@@H]1O)O)O	0.602	0.579	0.67	0.479	0.805	0.586	0.067	0.39	0.322	0.086	0.797
Compound_378	COCCOc1cc2c(ncnc2cc1OCCO)Nc1cccc(c1)C#C	0.505	0.625	0.991	0.676	0.723	0.702	0.621	0.974	0.418	0.384	0.164
Compound_379	Fc1ccc(cc1)[C@H](CCCN1CCC(CC1)(O)c1ccc(cc1)Cl)O	0.03	0.373	0.275	0.157	0.518	0.457	0.001	0.004	0.809	0.043	0.286
Compound_380	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N)C1=C3CCC(=O)C=C3CC[C@@H]21	0.921	0.951	0.473	0.599	0.942	0.978	0.833	0.907	0.55	0.086	0.717
Compound_381	Clc1cc(O)c2c(c1)[C@](C#CC1(O)CC1)(OC(=N2)O)C(F)(F)F	0.539	0.61	0.035	0.502	0.838	0.676	0.901	0.062	0.378	0.757	0.708
Compound_382	COCc1c(c2ccc(cc2)F)c(/C=C/C(CC(CC(=O)O)O)O)c(nc1C(CO)C)C(C)C	0.794	0.775	0.84	0.445	0.59	0.571	0.596	0.561	0.194	0.329	0.27
Compound_383	CCCCCCCCCc1ccc(cc1)OS(=O)(=O)O	0.498	0.295	0.16	0.237	0.458	0.638	0.848	0.218	0.464	0.935	0.284
Compound_384	COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2ccc(c1)O	0.505	0.66	0.187	0.439	0.832	0.666	0.224	0.304	0.184	0.113	0.446
Compound_385	COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cc(cc1)O	0.554	0.679	0.569	0.409	0.729	0.688	0.113	0.364	0.184	0.167	0.5
Compound_386	CC12OC1Nc1c2cccc1	0.396	0.578	0.973	0.592	0.413	0.299	0.028	0.689	0.485	0.677	0.661
Compound_387	COc1cc2c(cc1OC)Cc1c2n([nH]c1=Nc1cccc(c1)F)C1OC(C(=O)O)C(C(C1O)O)O	0.742	0.759	0.333	0.577	0.455	0.418	0.02	0.503	0.239	0.059	0.26
Compound_388	COc1cc2c(cc1OC)Cc1c2[nH]nc1N(C1OC(C(=O)O)C(C(C1O)O)O)c1cccc(c1)F	0.7	0.715	0.866	0.57	0.669	0.652	0.05	0.675	0.282	0.3	0.49
Compound_389	OCC(=O)c1ccc(c(c1)OC)OCCCN1CCC(CC1)c1noc2c1ccc(c2)F	0.256	0.618	0.935	0.2	0.671	0.799	0.533	0.531	0.346	0.017	0.666
Compound_390	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C	0.647	0.599	0.036	0.172	0.218	0.579	0.012	0.236	0.075	0.059	0.43
Compound_391	COc1ccc(cc1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.292	0.548	0.021	0.38	0.414	0.259	0.025	0.119	0.17	0.213	0.073
Compound_392	C=C1C=[NH+]c2c1cccc2	0.374	0.526	0.661	0.517	0.117	0.063	0.097	0.977	0.84	0.974	0.962
Compound_393	COCCOc1cc2ncnc(c2cc1O)Nc1cccc(c1)C#C	0.523	0.659	0.971	0.678	0.803	0.682	0.807	0.977	0.68	0.535	0.179
Compound_394	OCC(c1ccc(c(c1)CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2)OC)(O)C	0.237	0.688	0.278	0.232	0.275	0.734	0.076	0.032	0.199	0.001	0.576
Compound_395	O=S1CN=C(C1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O	0.45	0.556	0.023	0.388	0.368	0.642	0.075	0.141	0.72	0.539	0.346
Compound_396	CCCN(CCc1ccc(c(c1)OCCc1ccc(cc1)O)OC)CCC	0.09	0.426	0.377	0.434	0.214	0.837	0.014	0.116	0.122	0.007	0.349
Compound_397	Oc1cc2[nH]c(=N)sc2cc1OC(F)(F)F	0.632	0.627	0.862	0.599	0.604	0.629	0.102	0.82	0.666	0.459	0.903
Compound_398	OCCN=c1[nH]c2c(cccc2c2c1CCN2c1ccc(cc1C)O)OC(F)(F)F	0.668	0.548	0.959	0.581	0.877	0.411	0.911	0.577	0.269	0.016	0.311
Compound_399	Oc1ccc(cc1)C(=C)C(=O)O	0.394	0.432	0.496	0.304	0.697	0.783	0.977	0.098	0.749	0.312	0.537
Compound_400	CCC(c1ccc2c(n1)cccc2)O	0.241	0.533	0.671	0.455	0.371	0.274	0.192	0.487	0.754	0.465	0.72
Compound_401	COCNc1c(CC)cccc1CC	0.442	0.447	0.854	0.419	0.095	0.134	0.026	0.16	0.665	0.809	0.342
Compound_402	CCCCc1cc(N)n2c(n1)ccn2	0.339	0.602	0.057	0.577	0.319	0.662	0.002	0.172	0.267	0.02	0.178
Compound_403	O=C1C(CCc2c1c1cccc(c1n2C)O)Cn1ccnc1C	0.531	0.7	0.112	0.448	0.433	0.697	0.804	0.236	0.339	0.05	0.4
Compound_404	O=C1N(CCc2c1c1cccc(c1n2C)O)Cc1[nH]cnc1C	0.529	0.533	0.587	0.4	0.294	0.656	0.161	0.517	0.315	0.024	0.137
Compound_405	CN=C(c1cc(N)ccc1O)O	0.304	0.449	0.248	0.336	0.351	0.273	0.076	0.002	0.667	0.09	0.395
Compound_406	OCC(N=C(C1CCC2C1(C)CCC1C2CCC2C1(C)C=CC(=N2)O)O)(C)C	0.644	0.664	0.013	0.476	0.87	0.963	0.094	0.599	0.3	0.022	0.091
Compound_407	COCC(=O)N(c1c(C)cccc1CO)C(C(=O)OC)C	0.255	0.363	0.216	0.586	0.028	0.024	0.104	0.116	0.24	0.006	0.166
Compound_408	CCN(C(O)C)C=O	0.122	0.072	0.037	0.454	0.014	0.209	0.018	0.214	0.281	0.037	0.173
Compound_409	Oc1ccc2c(c1)c1C(=O)C(CCc1n2C)Cn1ccnc1C	0.505	0.717	0.253	0.441	0.577	0.778	0.851	0.116	0.385	0.04	0.465
Compound_410	CCn1c(nn(c1=O)CCCN1CCN(CC1)c1cccc(c1)Cl)C(O)C	0.257	0.514	0.544	0.222	0.214	0.637	0.064	0.076	0.427	0.011	0.095
Compound_411	CCC(Cc1ccc(c(c1)O)O)N	0.371	0.187	0.548	0.431	0.109	0.063	0.003	0.437	0.123	0.047	0.11
Compound_412	Oc1ccc(cc1)C(C(=O)c1c(O)cc(cc1O)O)C	0.505	0.765	0.768	0.584	0.913	0.973	0.991	0.536	0.329	0.865	0.481
Compound_413	OCCC1CC2CN3C1C(C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2	0.442	0.74	0.553	0.197	0.658	0.662	0.184	0.33	0.088	0.001	0.74
Compound_414	CC(OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.108	0.192	0.011	0.331	0.08	0.14	0.029	0.067	0.214	0.146	0.014
Compound_415	COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C(C(O3)SC[C@@H](C(=NCC(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O)O	0.705	0.616	0.424	0.461	0.775	0.687	0.254	0.347	0.174	0.197	0.298
Compound_416	CC(CCCC=CCC=CCC=CCC=CCCCC(=O)O)O	0.698	0.053	0.048	0.091	0.402	0.073	0.91	0.6	0.109	0.858	0.045
Compound_417	CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)OS(=O)(=O)O	0.984	0.98	0.035	0.378	0.838	0.757	0.011	0.914	0.1	0.98	0.37
Compound_418	OC1C=Cc2c(C1O)ccc1c2cc(N(=O)=O)c2c1cccc2	0.43	0.717	0.764	0.547	0.939	0.901	0.946	0.673	0.519	0.993	0.982
Compound_419	Oc1ccc2c(c1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.87	0.867	0.02	0.435	0.954	0.991	0.004	0.135	0.014	0.998	0.92
Compound_420	Oc1ccc(cc1)S(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1	0.496	0.329	0.275	0.438	0.818	0.771	0.035	0.38	0.401	0.09	0.279
Compound_421	CCCCN(CCCC)S	0.174	0.148	0.206	0.553	0.056	0.136	0.056	0.51	0.868	0.992	0.431
Compound_422	CC(C(=O)c1ccc(cc1)O)N1CCCC1	0.151	0.371	0.287	0.299	0.266	0.811	0.011	0.087	0.376	0.011	0.061
Compound_423	OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.286	0.9	0.008	0.269	0.679	0.804	0.382	0.393	0.205	0.355	0.664
Compound_424	CC(=O)C(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C	0.337	0.712	0.869	0.696	0.707	0.801	0.749	0.932	0.406	0.561	0.363
Compound_425	OC(=O)[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2ccccc2O)[C@@H]([C@H]([C@@H]1O)O)O	0.665	0.76	0.081	0.567	0.882	0.74	0.883	0.682	0.256	0.054	0.719
Compound_426	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.72	0.669	0.029	0.182	0.189	0.564	0.021	0.113	0.079	0.022	0.527
Compound_427	CCCOc1ccc(cc1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.292	0.468	0.035	0.422	0.414	0.259	0.025	0.358	0.175	0.498	0.234
Compound_428	Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CC(N=C1O)O	0.393	0.496	0.009	0.244	0.579	0.793	0.085	0.017	0.464	0.223	0.233
Compound_429	COC(=O)[C@@H]1[C@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1	0.45	0.675	0.411	0.249	0.508	0.666	0.08	0.187	0.166	0.011	0.288
Compound_430	COc1cc2c(cc1O)occ(c2=O)c1ccccc1	0.839	0.846	0.928	0.839	0.8	0.411	0.993	0.938	0.702	0.007	0.946
Compound_431	COc1cc(ccc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC	0.708	0.816	0.121	0.609	0.837	0.311	0.272	0.819	0.342	0.131	0.953
Compound_432	OCCCc1ccc2c(n1)cccc2	0.543	0.443	0.792	0.457	0.429	0.518	0.434	0.183	0.368	0.029	0.631
Compound_433	OCC(C#C/C=C/CN(Cc1cccc2c1cccc2)C)(C)C	0.16	0.421	0.251	0.176	0.042	0.949	0.015	0.562	0.438	0.124	0.248
Compound_434	OC(=O)[C@H]1OC(Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.733	0.72	0.165	0.588	0.898	0.394	0.343	0.81	0.411	0.056	0.89
Compound_435	Oc1cccc(c1)C(NCCCc1ccccc1Cl)C	0.102	0.44	0.331	0.343	0.624	0.403	0.107	0.321	0.272	0.015	0.446
Compound_436	Oc1ccc2c(c1)oc1c(c2c2ccccc2C(=O)OCc2ccccc2)ccc(=O)c1	0.797	0.781	0.994	0.833	0.987	0.96	0.997	0.986	0.907	0.188	0.78
Compound_437	CC(CC(c1ccccc1N1CCCCC1)N=C(Cc1ccc(c(c1)O)C(=O)O)O)C	0.281	0.628	0.008	0.305	0.763	0.865	0.942	0.134	0.249	0.091	0.025
Compound_438	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]([C@@H]2C(=O)C)O)C)C	0.979	1.0	0.031	0.714	0.952	0.901	0.008	0.797	0.045	0.832	0.114
Compound_439	CCOC(=Nc1ccc(cc1NC1OC(C(=O)O)C(C(C1O)O)O)NCc1ccc(cc1)F)O	0.586	0.621	0.395	0.417	0.394	0.48	0.018	0.009	0.132	0.486	0.286
Compound_440	OC1CCC2(C(=CC(C3C2CCC2(C3CCC2=O)C)O)C1)C	0.973	1.0	0.023	0.799	0.954	0.952	0.003	0.746	0.035	0.986	0.096
Compound_441	OCCc1ccccc1Nc1c(Cl)cccc1Cl	0.235	0.4	0.987	0.4	0.657	0.736	0.99	0.462	0.208	0.089	0.829
Compound_442	Oc1ccc2c(c1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.87	0.867	0.02	0.435	0.954	0.991	0.004	0.135	0.014	0.998	0.92
Compound_443	Oc1ccc(cc1)c1c2CC(Cn2c(c1c1ccc(cc1)Cl)CC(=O)O)(C)C	0.148	0.596	0.286	0.445	0.963	0.841	0.249	0.499	0.436	0.431	0.712
Compound_444	COc1cccc(c1c1ccc(cc1)CC(C(=O)O)N=C(c1c(Cl)cccc1Cl)O)O	0.428	0.631	0.284	0.439	0.974	0.771	0.726	0.446	0.229	0.369	0.073
Compound_445	c1ccc(c(c1)COc1ccc(cc1)OCc1ccc2c(n1)cccc2)c1n[nH]nn1	0.632	0.772	0.994	0.751	0.858	0.803	0.454	0.93	0.675	0.17	0.813
Compound_446	N#Cc1nn(c(c1S(=O)(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.288	0.373	0.497	0.571	0.706	0.646	0.797	0.97	0.437	0.407	0.639
Compound_447	OC(=O)[C@H]1OC(Oc2ccc(cc2)N(=O)=O)[C@@H]([C@H]([C@@H]1O)O)O	0.4	0.596	0.045	0.432	0.63	0.536	0.019	0.596	0.108	0.863	0.866
Compound_448	COc1cccc(c1)C[C@H](N)C	0.094	0.09	0.564	0.552	0.005	0.049	0.006	0.03	0.401	0.105	0.039
Compound_449	OC(=O)[C@H]1OC(Oc2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1O)O)O	0.209	0.46	0.321	0.472	0.178	0.209	0.011	0.145	0.078	0.794	0.35
Compound_450	OCC(c1ccc(c(c1)OC)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.248	0.406	0.007	0.301	0.334	0.181	0.043	0.05	0.241	0.214	0.195
Compound_451	COc1cc2c(cc1O[C@@H]1O[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.55	0.804	0.008	0.44	0.747	0.866	0.218	0.813	0.07	0.657	0.893
Compound_452	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.755	0.72	0.175	0.593	0.891	0.89	0.879	0.71	0.18	0.056	0.89
Compound_453	OC(CC(C(=NC1C(O)Cc2c1cccc2)O)Cc1ccccc1)CN1CCNCC1C(=NC(C)(C)C)O	0.364	0.656	0.04	0.297	0.218	0.35	0.01	0.326	0.142	0.57	0.118
Compound_454	OC[C@@H](C(=O)c1cccc(c1)Cl)NC(C)(C)C	0.04	0.229	0.149	0.373	0.049	0.076	0.005	0.033	0.173	0.01	0.157
Compound_455	OC[C@H](C(=O)c1cccc(c1)Cl)NC(C)(C)C	0.04	0.229	0.149	0.373	0.049	0.076	0.005	0.033	0.173	0.01	0.157
Compound_456	NCc1cc(ccc1OC)OC(F)(F)F	0.252	0.263	0.706	0.707	0.187	0.087	0.234	0.139	0.319	0.016	0.44
Compound_457	CCCCCOc1ccc2c(c1)oc(=O)cc2	0.78	0.556	0.958	0.731	0.374	0.351	0.289	0.904	0.748	0.935	0.919
Compound_458	OCc1onc(c1C(=NC1C(=O)N2C1SC(C2C(=O)O)(C)C)O)c1c(F)cccc1Cl	0.361	0.563	0.022	0.462	0.782	0.507	0.035	0.412	0.189	0.296	0.215
Compound_459	OC(=O)[C@H]1OC(Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.678	0.76	0.103	0.578	0.882	0.74	0.883	0.604	0.422	0.054	0.719
Compound_460	ONc1ccc2c3c1cccc3C(=O)c1c2cccc1	0.942	0.693	0.98	0.821	0.873	0.986	1.0	0.995	0.665	0.962	0.629
Compound_461	CCCN1CCCC[C@H]1C(=Nc1c(C)ccc(c1C)O)O	0.354	0.389	0.134	0.228	0.641	0.253	0.021	0.033	0.31	0.109	0.046
Compound_462	OCc1nc(nc(c1)C)O[C@@H](C(c1ccccc1)(c1ccccc1)OC)C(=O)O	0.505	0.653	0.026	0.345	0.544	0.136	0.186	0.075	0.154	0.001	0.525
Compound_463	COC1CN(CC1N)c1ccc2c(n1)n(cc(c2=O)C(=O)O)c1nccs1	0.653	0.592	0.003	0.21	0.229	0.686	0.055	0.453	0.349	0.023	0.53
Compound_464	COc1cc(cc(c1OC)OC)C(=O)c1c[nH]c2c1ccc(c2O)OC	0.417	0.813	0.849	0.671	0.646	0.646	0.423	0.311	0.839	0.127	0.986
Compound_465	CCC(C(=O)O[C@H]1C[C@](C)(O)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)(C)C	0.919	0.93	0.011	0.766	0.967	0.825	0.045	0.988	0.415	0.991	0.396
Compound_466	OC1=N[C@H](CO1)Cc1ccc2c(c1)c(CCN(=O)(C)C)c[nH]2	0.382	0.642	0.371	0.38	0.453	0.645	0.364	0.022	0.218	0.005	0.452
Compound_467	C=CC1=C(C)/C(=C/c2[nH]c(c(c2C)CCC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)Cc2[nH]c(c(c2CCC(=O)O)C)C=C2N=C(C(=C2C=C)C)O)/N=C1O	0.704	0.656	0.153	0.337	0.618	0.654	0.684	0.431	0.186	0.544	0.758
Compound_468	COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.539	0.512	0.082	0.519	0.729	0.311	0.435	0.466	0.186	0.141	0.793
Compound_469	CN(CCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c1ccc(cc1)O)C	0.689	0.703	0.009	0.265	0.862	0.519	0.016	0.117	0.223	0.157	0.289
Compound_470	OC(=O)CCC(=CCc1c(O)c(C)c2c(c1O)C(=O)OC2)C	0.779	0.695	0.757	0.377	0.889	0.968	0.993	0.914	0.358	0.865	0.658
Compound_471	COc1ccc2c(c1)Oc1c([C@]32OC(=O)c2c3cccc2)ccc(c1)O	0.389	0.616	0.933	0.723	0.918	0.837	0.997	0.023	0.468	0.148	0.838
Compound_472	CN([C@@H](Cc1ccccc1)C)Cc1ccccc1	0.015	0.451	0.073	0.136	0.055	0.884	0.336	0.503	0.376	0.033	0.076
Compound_473	COc1c(C)cnc(c1C)C[S@](=O)c1nc2c([nH]1)cc(cc2)O	0.352	0.579	0.993	0.432	0.439	0.696	0.165	0.144	0.394	0.332	0.301
Compound_474	CN(C[C@H]1CCCC[C@]1(O)c1cccc(c1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.216	0.622	0.001	0.221	0.301	0.238	0.007	0.096	0.077	0.012	0.061
Compound_475	COc1cc(ccc1OC)[C@](C(C)C)(CCCN(CCc1ccc(c(c1)OC)O)C)C#N	0.076	0.519	0.05	0.167	0.377	0.527	0.012	0.191	0.381	0.01	0.605
Compound_476	CCN(C(=O)/C(=C/c1cc(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)c(c(c1)N(=O)=O)O)/C#N)CC	0.493	0.655	0.036	0.535	0.717	0.599	0.097	0.954	0.403	0.953	0.865
Compound_477	C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC(=C)[C@H]1[C@H]2CCC2=C[C@@H](CC[C@H]12)O	0.935	1.0	0.132	0.483	0.959	0.873	0.014	0.988	0.613	0.999	0.665
Compound_478	CNCC[C@@H](c1cccs1)Oc1ccc(c2c1cccc2)O	0.218	0.498	0.067	0.258	0.616	0.708	0.494	0.378	0.625	0.01	0.16
Compound_479	CNCC[C@@H](c1cccs1)Oc1ccc(c2c1cccc2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.286	0.478	0.02	0.416	0.557	0.64	0.503	0.268	0.356	0.05	0.175
Compound_480	COc1ccc(cc1C(=NCCc1ccc(cc1)S(=O)(=O)NC(=N[C@H]1CCC[C@H](C1)O)O)O)Cl	0.271	0.433	0.027	0.209	0.426	0.594	0.014	0.05	0.2	0.54	0.281
Compound_481	C[C@H](c1ccc(cc1)CC(O)(C)C)C(=O)O	0.023	0.122	0.009	0.237	0.081	0.032	0.063	0.058	0.172	0.035	0.042
Compound_482	CN1(=O)CCN2[C@@H](C1)c1ccccc1Cc1c2cccc1	0.278	0.679	0.087	0.477	0.54	0.653	0.004	0.127	0.495	0.006	0.368
Compound_483	CN1(=O)CCN2[C@H](C1)c1ccccc1Cc1c2cccc1	0.278	0.679	0.087	0.477	0.54	0.653	0.004	0.127	0.495	0.006	0.368
Compound_484	Oc1cnc(nc1)N1CCNCC1	0.02	0.351	0.006	0.268	0.07	0.226	0.001	0.092	0.309	0.119	0.332
Compound_485	CCCCN(CC[C@H](c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC	0.053	0.382	0.199	0.092	0.911	0.648	0.351	0.177	0.546	0.728	0.647
Compound_486	CCNCCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C	0.056	0.292	0.394	0.298	0.618	0.22	0.012	0.131	0.422	0.569	0.127
Compound_487	OCCN(C(=O)c1cccc(c1)C)CC	0.036	0.282	0.239	0.501	0.002	0.413	0.071	0.018	0.275	0.003	0.018
Compound_488	O[C@H](COc1cccc2c1c1ccccc1[nH]2)CNCCOc1ccccc1O	0.124	0.555	0.162	0.169	0.907	0.648	0.873	0.003	0.33	0.784	0.599
Compound_489	COc1cc(O)ccc1OCCNC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O	0.146	0.592	0.253	0.18	0.92	0.651	0.827	0.011	0.339	0.367	0.554
Compound_490	COc1ccc(cc1OCCNC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O)O	0.167	0.592	0.253	0.18	0.92	0.651	0.827	0.011	0.339	0.367	0.554
Compound_491	CN[C@@H](Cc1ccc(cc1)OC)C	0.023	0.117	0.43	0.384	0.014	0.444	0.001	0.014	0.255	0.186	0.054
Compound_492	OCC(=O)[C@@]1(O)CC[C@H]2[C@]1(C)C[C@H](O)[C@@H]1[C@@H]2CCC2=CC(=O)CC[C@]12C	0.961	1.0	0.005	0.967	0.572	0.884	0.002	0.011	0.037	0.017	0.056
Compound_493	CCCNC[C@@H](COc1ccc(cc1C(=O)CCc1ccccc1)O)O	0.097	0.564	0.012	0.101	0.491	0.261	0.23	0.065	0.337	0.507	0.125
Compound_494	CC[C@]1(N=C(N(C1=O)C)O)c1ccc(cc1)O	0.32	0.238	0.068	0.358	0.014	0.365	0.167	0.019	0.349	0.0	0.158
Compound_495	NCCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C	0.091	0.443	0.53	0.305	0.567	0.18	0.003	0.08	0.415	0.011	0.171
Compound_496	OC(=O)[C@@H](c1ccc(c(c1)F)c1ccc(cc1)O)C	0.093	0.498	0.118	0.308	0.809	0.81	0.993	0.557	0.319	0.69	0.137
Compound_497	NC[C@@H](COc1ccccc1C(=O)CCc1ccccc1)O	0.058	0.542	0.017	0.26	0.212	0.412	0.146	0.058	0.414	0.014	0.109
Compound_498	Clc1ccc(cc1)Cc1nn([C@H]2CCNCCC2)c(=O)c2c1cccc2	0.486	0.593	0.703	0.372	0.511	0.74	0.673	0.231	0.449	0.006	0.197
Compound_499	Clc1ccc(cc1)Cc1nn([C@@H]2CCNCCC2)c(=O)c2c1cccc2	0.534	0.569	0.703	0.372	0.524	0.873	0.338	0.231	0.449	0.001	0.134
Compound_500	FC([C@@]1(C#CC2CC2)OC(=Nc2c1cc(Cl)c(c2)O)O)(F)F	0.682	0.536	0.113	0.478	0.933	0.736	0.942	0.301	0.357	0.504	0.811
Compound_501	O=C1CC[C@]2(C(=C1)CCC1C2C(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)C[C@]2(C1CC[C@@H]2C(=O)C)C)C	0.674	1.0	0.009	0.624	0.706	0.882	0.307	0.639	0.196	0.756	0.321
Compound_502	OC(=O)CCCC=CCC1C2CC(C(C1NS(=O)(=O)c1ccccc1)C2)O	0.381	0.507	0.02	0.164	0.329	0.499	0.002	0.092	0.341	0.289	0.151
Compound_503	OC(=O)CCCC=CCC1C2CC(C1NS(=O)(=O)c1ccccc1)CC2O	0.334	0.52	0.037	0.174	0.315	0.483	0.004	0.112	0.341	0.327	0.126
Compound_504	N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.287	0.526	0.008	0.624	0.801	0.735	0.077	0.242	0.163	0.062	0.307
Compound_505	OC1=NC(=O)[C@H](CC1)N1C(=O)c2c(C1=O)cc(cc2)O	0.331	0.497	0.246	0.414	0.435	0.62	0.077	0.476	0.29	0.058	0.203
Compound_506	COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2O)O)OC	0.848	0.864	0.954	0.82	0.958	0.621	0.821	0.99	0.707	0.021	0.983
Compound_507	OCc1ccc(cn1)c1ncc(cc1c1ccc(cc1)S(=O)(=O)C)Cl	0.54	0.475	0.345	0.614	0.659	0.56	0.434	0.269	0.394	0.052	0.143
Compound_508	Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(n(=O)c1)C	0.675	0.508	0.717	0.669	0.744	0.641	0.874	0.125	0.405	0.692	0.586
Compound_509	COc1ccc2c(c1)c(CC(=NC[C@H](c1ccccc1)O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.287	0.724	0.754	0.375	0.925	0.936	0.979	0.117	0.269	0.531	0.517
Compound_510	CC[C@@H](Cc1ccc2c(c1)OCO2)NC	0.115	0.39	0.962	0.298	0.011	0.333	0.004	0.15	0.143	0.898	0.524
Compound_511	CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2O	0.22	0.498	0.067	0.258	0.482	0.669	0.494	0.378	0.625	0.01	0.16
Compound_512	O=C1CCC(O1)Cc1cc(O)c(c(c1)O)O	0.89	0.245	0.111	0.567	0.891	0.141	0.546	0.828	0.471	0.956	0.156
Compound_513	COc1ccc(cc1O)CC1CCC(=O)O1	0.8	0.224	0.139	0.6	0.729	0.04	0.847	0.235	0.172	0.853	0.173
Compound_514	CC(=Nc1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)O	0.381	0.738	0.214	0.532	0.603	0.666	0.967	0.704	0.44	0.031	0.165
Compound_515	OC(=O)CN(C(=O)Oc1ccc(cc1)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.378	0.63	0.376	0.527	0.786	0.645	0.993	0.885	0.345	0.26	0.681
Compound_516	COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1CO)c1ccccc1)CC(=O)O	0.409	0.521	0.104	0.525	0.735	0.623	0.979	0.845	0.146	0.229	0.541
Compound_517	COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)O)CC(=O)O	0.124	0.586	0.018	0.405	0.423	0.758	0.226	0.007	0.201	0.041	0.096
Compound_518	COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O)CC(=O)O	0.38	0.688	0.138	0.48	0.726	0.624	0.981	0.688	0.155	0.234	0.724
Compound_519	O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.952	0.952	0.011	0.34	0.905	0.098	0.954	0.572	0.601	0.975	0.73
Compound_520	COc1cc(cc(c1OC)OC)C(=O)c1c[nH]c2c1cc(O)c(c2)OC	0.423	0.808	0.806	0.658	0.684	0.66	0.422	0.246	0.863	0.045	0.992
Compound_521	ONc1ccc(cc1)S(=O)(=O)Nc1ncccn1	0.112	0.267	0.041	0.251	0.188	0.367	0.001	0.012	0.106	0.01	0.459
Compound_522	CCNCCCC(N=c1c2cc(OC)ccc2[nH]c2c1ccc(c2)Cl)C	0.627	0.569	0.76	0.313	0.805	0.884	0.479	0.149	0.475	0.671	0.711
Compound_523	O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3(C2CC[C@@H]3[C@@H](/C=C/[C@@H](C(O)(C)C)C)C)C)/C1	0.97	0.97	0.383	0.759	0.894	0.952	0.507	0.987	0.401	0.999	0.941
Compound_524	CC([C@@]12CC(=O)[C@]([C@H]2C1)(C)O)C	0.797	0.488	0.121	0.438	0.425	0.445	0.036	0.352	0.221	0.281	0.266
Compound_525	CN(CCCCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C	0.099	0.7	0.014	0.222	0.907	0.174	0.974	0.081	0.424	0.003	0.788
Compound_526	CC(=NCCc1c[nH]c2c1cc(cc2)OS(=O)(=O)O)O	0.168	0.463	0.249	0.28	0.483	0.652	0.003	0.015	0.175	0.281	0.53
Compound_527	Oc1cc(N(=O)=O)c(cc1N)C(F)(F)F	0.919	0.278	0.84	0.536	0.43	0.418	0.967	0.986	0.524	0.026	0.936
Compound_528	O=C1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OS(=O)(=O)O	0.603	0.749	0.097	0.206	0.067	0.575	0.066	0.364	0.059	0.313	0.571
Compound_529	CCOc1cc(ccc1C(=O)O)CC(=NC(c1ccccc1N1CCCC(C1)O)CC(C)C)O	0.34	0.714	0.099	0.348	0.676	0.622	0.908	0.255	0.263	0.698	0.105
Compound_530	OC1CN=C(N1)Nc1c(Cl)ccc2c1nsn2	0.313	0.518	0.835	0.474	0.541	0.589	0.026	0.114	0.194	0.133	0.513
Compound_531	Clc1cc(ccc1O)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2	0.296	0.611	0.076	0.276	0.575	0.742	0.032	0.374	0.534	0.009	0.189
Compound_532	CN1(=O)CCN2C(C1)c1ccccc1Cc1c2nccc1	0.331	0.662	0.026	0.366	0.196	0.444	0.001	0.027	0.452	0.018	0.384
Compound_533	CCCc1nn(c2c1nc(nc2Nc1ccc(cn1)C)N1CCNCC1)C	0.514	0.611	0.002	0.288	0.636	0.63	0.351	0.162	0.441	0.794	0.473
Compound_534	C[C@H](C(=O)c1ccc(c(c1)Cl)O)NC(C)(C)C	0.093	0.292	0.11	0.397	0.564	0.499	0.001	0.172	0.22	0.749	0.605
Compound_535	O=C1C(CC2CCN(CC2)Cc2ccccc2)Cc2c1cc(O)c(c2)O	0.549	0.678	0.724	0.494	0.778	0.86	0.104	0.424	0.273	0.198	0.166
Compound_536	OC(=O)[C@H]1O[C@@H](Oc2cc3OC(CC(=O)c3c(c2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.165	0.652	0.012	0.443	0.874	0.815	0.801	0.148	0.258	0.019	0.863
Compound_537	OC(Cc1cc(O)cc(c1)O)CCC(=O)O	0.565	0.217	0.064	0.238	0.491	0.058	0.24	0.116	0.598	0.099	-0.002
Compound_538	Clc1ccc(c(c1)Cl)c1ccc(c(c1)Cl)O	0.968	0.715	0.654	0.701	0.949	0.65	0.968	0.954	0.84	0.991	0.987
Compound_539	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@H](O)C[C@@H]2O)C)C	0.985	1.0	0.028	0.87	0.923	0.751	0.003	0.883	0.049	0.96	0.075
Compound_540	O=NN(CCCC(c1ccc[n+](c1)[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O)C	0.434	0.477	0.012	0.35	0.036	0.297	0.003	0.228	0.089	0.164	0.263
Compound_541	C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2O)O	0.948	0.927	0.01	0.394	0.972	0.86	0.132	0.247	0.122	0.988	0.774
Compound_542	COc1cc(cc(c1O)O)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C	0.931	0.867	0.192	0.513	0.953	0.866	0.828	0.147	0.928	0.13	0.956
Compound_543	OC(=O)C1OC(C(C(C1O)O)O)[N+](CCOC(c1ccccc1)c1ccccc1)(C)C	0.135	0.591	0.003	0.454	0.057	0.043	0.004	0.014	0.137	0.021	0.113
Compound_544	CCC1(N=C(N(C1=O)C1OC(C(=O)O)C(C(C1O)O)O)O)c1ccccc1	0.535	0.395	0.026	0.347	0.004	0.184	0.016	0.018	0.228	0.131	0.292
Compound_545	OC(=NCCS(=O)(=O)O)CC[C@H](C1CCC2[C@]1(C)[C@@H](O)CC1C2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O)C	0.423	0.728	0.003	0.259	0.728	0.698	0.046	0.189	0.34	0.908	0.417
Compound_546	OC(=O)[C@H]1O[C@@H](Oc2ccc3c(n2)c(O)ccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.611	0.657	0.143	0.487	0.459	0.571	0.074	0.798	0.202	0.768	0.719
Compound_547	CCCCCC=CCC=CC(C=CCC=CCCCC(=O)O)O	0.66	0.052	0.048	0.097	0.553	0.106	0.887	0.4	0.265	0.943	0.105
Compound_548	CCCCCC=CC(C=CCC=CCC=CCCCC(=O)O)O	0.645	0.052	0.048	0.097	0.553	0.106	0.887	0.4	0.265	0.943	0.105
Compound_549	OC(=O)C1O[C@@H](OC(=O)c2c[nH]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.442	0.539	0.762	0.41	0.318	0.63	0.015	0.128	0.151	0.041	0.911
Compound_550	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)OC(C)(C)C	0.117	0.198	0.003	0.325	0.079	0.15	0.05	0.057	0.144	0.459	0.073
Compound_551	CCCCCCOc1ccc2c(c1)oc(=O)cc2	0.384	0.723	0.958	0.731	0.374	0.351	0.289	0.904	0.954	0.984	0.782
Compound_552	OCc1ccc2c(c1C)oc1c(c2=O)cccc1CC(=O)O	0.742	0.59	0.691	0.326	0.459	0.847	0.866	0.748	0.435	0.373	0.405
Compound_553	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C	0.595	0.754	0.005	0.175	0.224	0.59	0.026	0.168	0.064	0.156	0.61
Compound_554	OC(=O)[C@H]1OC(OC(c2ccccc2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.111	0.511	0.036	0.433	0.077	0.15	0.129	0.037	0.123	0.313	0.046
Compound_555	OCC(c1ccc(c(c1)CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2)OC)C	0.244	0.577	0.193	0.205	0.183	0.903	0.141	0.047	0.196	0.003	0.469
Compound_556	C=CCc1ccc(c(c1)OC)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.343	0.425	0.079	0.452	0.334	0.188	0.198	0.916	0.059	0.487	0.09
Compound_557	OC(=O)[C@H]1OC(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_558	OC(=O)[C@H]1OC(OCC(Cl)(Cl)F)[C@@H]([C@H]([C@@H]1O)O)O	0.238	0.246	0.008	0.54	0.098	0.228	0.046	0.213	0.192	0.73	0.401
Compound_559	OC(=O)CN=C(C(N=C(CCC(C(=O)O)N)O)CSC(C(=O)O)Cl)O	0.211	0.089	0.005	0.293	0.631	0.051	0.006	0.1	0.322	0.144	0.319
Compound_560	OC(=O)[C@H]1OC(Oc2ccc(cc2)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.276	0.724	0.068	0.464	0.646	0.468	0.521	0.585	0.291	0.195	0.199
Compound_561	O=CCCC(=O)c1ccc(cc1)C(C)(C)C	0.858	0.175	0.474	0.475	0.095	0.733	0.583	0.508	0.54	0.624	0.626
Compound_562	OC(=O)[C@H]1OC(OC(C(F)(F)F)C(F)(F)F)[C@@H]([C@H]([C@@H]1O)O)O	0.155	0.217	0.011	0.561	0.441	0.3	0.017	0.392	0.085	0.663	0.234
Compound_563	COc1c(OC2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	0.677	0.806	0.083	0.596	0.837	0.311	0.272	0.867	0.173	0.057	0.594
Compound_564	Nc1ccccc1COS(=O)(=O)O	0.474	0.397	0.202	0.173	0.121	0.396	0.978	0.014	0.167	0.003	0.346
Compound_565	CCCCCN(N=O)CO	0.167	0.097	0.042	0.474	0.017	0.296	0.002	0.626	0.615	0.416	0.403
Compound_566	COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.242	0.746	0.028	0.434	0.588	0.734	0.8	0.171	0.435	0.013	0.642
Compound_567	OC(COc1nsnc1N1CCOC(C1)O)CNC(C)(C)C	0.087	0.649	0.042	0.155	0.077	0.171	0.001	0.012	0.321	0.906	0.456
Compound_568	OCN(c1ccccc1)N=O	0.832	0.334	0.376	0.483	0.124	0.678	0.556	0.356	0.382	0.027	0.4
Compound_569	OC1=NC(=O)C(C1)(C)C(O)C	0.128	0.342	0.029	0.428	0.046	0.077	0.656	0.287	0.285	0.0	0.178
Compound_570	CNCC1OCCn2cc(c3c2cccc3)C2=C(c3cn(CC1)c1ccccc31)C(=NC2=O)O	0.63	0.582	0.63	0.368	0.511	0.543	0.894	0.03	0.363	0.01	0.173
Compound_571	OC(=O)[C@H]1OC(Oc2c(I)cc(c3c2nccc3)Cl)[C@@H]([C@H]([C@@H]1O)O)O	0.482	0.527	0.225	0.621	0.513	0.682	0.249	0.44	0.377	0.799	0.901
Compound_572	CC[C@@H](Cc1ccc2c(c1)OCO2)N	0.293	0.341	0.948	0.432	0.015	0.427	0.008	0.119	0.15	0.59	0.453
Compound_573	OC(=Nc1ccccc1)c1c(O)c2ccccc2n(c1=O)C	0.356	0.786	0.548	0.401	0.838	0.723	0.955	0.009	0.597	0.044	0.176
Compound_574	CCC(c1c(=O)oc2c(c1O)ccc(c2)O)c1ccccc1	0.655	0.538	0.379	0.481	0.963	0.966	0.989	0.481	0.636	0.835	0.626
Compound_575	CCC(c1c(=O)oc2c(c1O)cc(cc2)O)c1ccccc1	0.688	0.538	0.453	0.487	0.919	0.715	0.892	0.582	0.492	0.835	0.626
Compound_576	CC[C@@H](c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.552	0.524	0.312	0.486	0.786	0.859	0.919	0.462	0.52	0.831	0.546
Compound_577	CN(C(=O)c1c(O)nc2c(c1O)cccc2)c1ccccc1	0.89	0.783	0.779	0.524	0.772	0.575	0.974	0.753	0.379	0.29	0.604
Compound_578	Cc1ccc2c(c1)c(O)cc(=O)o2	0.303	0.61	0.909	0.574	0.268	0.821	0.84	0.901	0.744	0.934	0.44
Compound_579	OC(=Nc1ccccc1)c1c(O)c2c(Cl)cccc2n(c1=O)C	0.409	0.752	0.556	0.347	0.899	0.909	0.991	0.005	0.619	0.21	0.329
Compound_580	COc1cc2oc(=O)cc(c2cc1)O	0.688	0.716	0.897	0.708	0.7	0.212	0.573	0.259	0.921	0.707	0.731
Compound_581	Oc1ccc(nc1)N=C(C1=C(O)c2sc(cc2S(=O)(=O)N1C)Cl)O	0.505	0.521	0.048	0.308	0.353	0.599	0.012	0.215	0.387	0.126	0.194
Compound_582	CC(=O)C[C@H](c1c(=O)oc2c(c1O)ccc(c2)O)c1ccccc1	0.658	0.403	0.313	0.494	0.471	0.449	0.987	0.35	0.551	0.691	0.157
Compound_583	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2O)c1ccccc1	0.655	0.384	0.239	0.489	0.235	0.056	0.614	0.51	0.462	0.395	0.133
Compound_584	CCC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)O	0.699	0.538	0.365	0.488	0.932	0.982	0.955	0.435	0.418	0.835	0.626
Compound_585	CCOc1cc2oc(=O)cc(c2cc1)O	0.692	0.568	0.847	0.69	0.801	0.328	0.331	0.432	0.624	0.872	0.85
Compound_586	Oc1ccc(cc1)N(C(=O)c1c(O)c2ccccc2n(c1=O)C)C	0.442	0.764	0.445	0.438	0.93	0.83	0.571	0.081	0.563	0.12	0.288
Compound_587	Oc1ccc2c(c1)c(O)c(c(=O)n2C)C(=O)N(c1ccccc1)C	0.436	0.805	0.463	0.414	0.894	0.83	0.629	0.089	0.427	0.066	0.196
Compound_588	CC(=O)C[C@H](c1c(=O)oc2c(c1O)cc(cc2)O)c1ccccc1	0.689	0.403	0.395	0.493	0.298	0.133	0.869	0.256	0.485	0.691	0.157
Compound_589	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.125	0.743	0.014	0.442	0.845	0.531	0.145	0.38	0.252	0.019	0.779
Compound_590	OC/C=C/CC(C(C1C(=NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=NC(C(=NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)O)C)O)O)O)O)C	0.447	0.461	0.109	0.406	0.33	0.635	0.009	0.533	0.214	0.039	0.397
Compound_591	O=CCCCOc1ccc2c(c1)N=C(CC2)O	0.465	0.554	0.605	0.328	0.876	0.715	0.974	0.016	0.544	0.012	0.103
Compound_592	CN1CCCC[C@@H]1CCN1c2ccccc2Sc2c1cc(cc2)[S@](=O)C	0.053	0.666	0.071	0.012	0.632	0.262	0.117	0.014	0.343	0.094	0.087
Compound_593	COc1ccc(cc1OC1CCC(C1)O)C(=O)N=c1c(Cl)c[nH]cc1Cl	0.512	0.463	0.013	0.542	0.656	0.705	0.136	0.446	0.181	0.037	0.106
Compound_594	CC(=O)CC(c1c(=O)oc2c(c1O)ccc(c2)O)c1ccc(cc1)N(=O)=O	0.699	0.604	0.395	0.459	0.755	0.616	0.999	0.729	0.48	0.978	0.875
Compound_595	CC(=O)CC(c1c(=O)oc2c(c1O)cc(cc2)O)c1ccc(cc1)N(=O)=O	0.746	0.604	0.5	0.468	0.65	0.384	0.995	0.676	0.457	0.978	0.875
Compound_596	CCCCCSC[C@@H](C(=NCC(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O	0.152	0.057	0.004	0.299	0.305	0.012	0.0	0.007	0.248	0.102	0.126
Compound_597	CCCCCCCSC[C@@H](C(=NCC(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O	0.203	0.057	0.004	0.299	0.4	0.026	0.003	0.007	0.268	0.102	0.126
Compound_598	CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C	0.952	0.847	0.057	0.779	0.424	0.898	0.008	0.997	0.84	0.43	0.404
Compound_599	O=C1C=Cc2c(C1)nccc2	0.333	0.577	0.76	0.567	0.037	0.457	0.004	0.528	0.815	0.292	0.941
Compound_600	CCOc1cc(ccc1C(=O)O)CC(=NC(c1ccccc1N)CC(C)C)O	0.162	0.81	0.842	0.284	0.771	0.789	0.943	0.082	0.303	0.331	0.137
Compound_601	CNCCCC12CCC(c3c1cccc3)c1c2ccc(c1)O	0.252	0.675	0.098	0.22	0.848	0.918	0.39	0.16	0.342	0.005	0.562
Compound_602	CN(CC/C=C/1\c2ccccc2OCc2c1cc(O)cc2)C	0.138	0.59	0.005	0.303	0.883	0.653	0.014	0.615	0.258	0.188	0.268
Compound_603	CN(CC/C=C\1/c2cc(O)ccc2OCc2c1cccc2)C	0.153	0.59	0.005	0.303	0.833	0.395	0.012	0.615	0.275	0.188	0.268
Compound_604	CC12OC2C[C@@H]2[C@H](C1)C2(C)C	0.951	0.219	0.011	0.541	0.746	0.336	0.5	0.515	0.554	0.998	0.634
Compound_605	Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc(c(c1)O)O	0.089	0.453	0.13	0.381	0.716	0.201	0.116	0.317	0.375	0.016	0.099
Compound_606	Oc1ccc(cc1)C(=C)C(=O)c1c(O)cc(cc1O)O	0.926	0.779	0.732	0.592	0.932	0.985	0.986	0.941	0.621	0.951	0.832
Compound_607	CCCCCOC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.128	0.272	0.009	0.412	0.08	0.14	0.029	0.221	0.293	0.556	0.192
Compound_608	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)Oc1c(oc2c(c1=O)cccc2)c1ccccc1	0.693	0.72	0.266	0.633	0.494	0.699	0.842	0.616	0.269	0.056	0.89
Compound_609	C[C@H](NC(=N)O)C#Cc1ccc(s1)Cc1ccccc1	0.362	0.486	0.037	0.325	0.185	0.871	0.195	0.096	0.52	0.087	0.311
Compound_610	COc1ccc(cc1)C(=O)[C@@H](N1CCCC1)C	0.076	0.421	0.179	0.211	0.062	0.748	0.01	0.052	0.355	0.013	0.075
Compound_611	OC(=O)[C@H]1OC(Oc2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.235	0.509	0.024	0.399	0.206	0.2	0.033	0.047	0.133	0.442	0.056
Compound_612	CC(=C)C1CC=C(C(=O)C1O)C	0.869	0.391	0.114	0.586	0.063	0.134	0.459	0.975	0.586	0.862	0.5
Compound_613	CCC(C(=O)c1ccc(cc1)CO)N1CCCC1	0.042	0.379	0.245	0.147	0.022	0.239	0.018	0.128	0.133	0.01	0.095
Compound_614	Clc1ccc(c(c1)Cl)Oc1ccc(cc1OS(=O)(=O)O)Cl	0.934	0.655	0.531	0.582	0.168	0.608	0.759	0.399	0.559	0.971	0.333
Compound_615	CN[C@@H](Cc1ccc(c(c1)O)O)C	0.103	0.176	0.214	0.304	0.068	0.034	0.001	0.272	0.085	0.12	0.025
Compound_616	OC(=O)CN=C([C@@H](N=C(CC[C@@H](C(=O)O)N)O)CSCCCc1ccccc1)O	0.196	0.215	0.005	0.234	0.336	0.077	0.028	0.002	0.12	0.115	0.146
Compound_617	CC[C@@H](C(=O)O[C@H]1C[C@](C)(O)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C	0.917	0.96	0.059	0.761	0.947	0.714	0.204	0.975	0.377	0.991	0.401
Compound_618	NCC[C@H](c1ccccc1)Oc1ccc(cc1C)O	0.105	0.499	0.126	0.41	0.582	0.476	0.28	0.139	0.117	0.001	0.143
Compound_619	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)Oc1c(oc2c(c1=O)c(O)ccc2)c1ccccc1	0.742	0.72	0.139	0.612	0.836	0.78	0.879	0.66	0.286	0.056	0.89
Compound_620	COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.659	0.774	0.07	0.595	0.852	0.406	0.231	0.888	0.286	0.06	0.824
Compound_621	OC(=O)[C@H]1OC(Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.674	0.752	0.109	0.541	0.824	0.74	0.819	0.622	0.322	0.054	0.93
Compound_622	CC(C(c1ccc(c(c1)O)O)O)N1CCC(CC1)(O)c1ccccc1	0.084	0.599	0.119	0.245	0.314	0.041	0.0	0.061	0.143	0.073	0.446
Compound_623	OC(=O)C(c1ccc2c(c1)CC(O)c1c(S2)cccc1)C	0.085	0.496	0.015	0.256	0.799	0.417	0.538	0.02	0.037	0.539	0.164
Compound_624	CCCCOC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.114	0.215	0.008	0.393	0.08	0.14	0.029	0.148	0.195	0.435	0.083
Compound_625	COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2Cc2c1cc(O)c(c2)O	0.859	0.783	0.547	0.65	0.971	0.537	0.993	0.131	0.951	0.371	0.925
Compound_626	O=n1cccc(c1)c1c(Cl)c(c2n1CCCC2)C(=N)O	0.478	0.586	0.593	0.475	0.507	0.673	0.005	0.953	0.591	0.172	0.654
Compound_627	OC(=O)[C@H]1OC(Oc2ccc(cc2)C(=O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.315	0.694	0.019	0.454	0.662	0.744	0.728	0.242	0.222	0.057	0.571
Compound_628	Fc1ccc2c(c1)[nH]c(n2)[S@@](=O)Cc1nccc(c1)OCC1CC1	0.441	0.55	0.995	0.51	0.466	0.7	0.504	0.866	0.44	0.804	0.333
Compound_629	OCC(=O)N(c1c(C)cccc1C)C(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_630	COC(=O)[C@H](c1ccccc1Cl)N1CCC2=C(C1)CC(=O)S2	0.404	0.649	0.271	0.368	0.661	0.149	0.414	0.402	0.219	0.226	0.206
Compound_631	OS(=O)(=O)OC1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C	0.809	0.93	0.043	0.453	0.464	0.618	0.06	0.808	0.14	0.637	0.437
Compound_632	OC(=O)[C@H]1O[C@@H](Nc2nc3c(n2C)cc(cn3)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.55	0.672	0.243	0.401	0.233	0.591	0.427	0.447	0.263	0.382	0.733
Compound_633	Clc1ccccc1CN1CCC2=[S+]C=CC2=C1	0.498	0.639	0.819	0.234	0.235	0.886	0.274	0.155	0.527	0.832	0.364
Compound_634	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.616	0.659	0.036	0.571	0.767	0.347	0.239	0.667	0.348	0.412	0.668
Compound_635	N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2=O)cccc1	0.067	0.673	0.117	0.28	0.847	0.228	0.028	0.053	0.476	0.922	0.512
Compound_636	CNCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1	0.28	0.399	0.75	0.281	0.322	0.671	0.395	0.226	0.345	0.072	0.225
Compound_637	CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.24	0.649	0.003	0.373	0.648	0.439	0.056	0.028	0.161	0.198	0.05
Compound_638	NCC(C1(O)CCCCC1)c1ccc(cc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.165	0.571	0.003	0.401	0.352	0.499	0.056	0.008	0.233	0.022	0.082
Compound_639	CCOc1ccc2c(c1)oc(=O)cc2CCl	0.287	0.593	0.966	0.698	0.907	0.534	0.436	0.762	0.896	0.98	0.964
Compound_640	OCc1cccc(c1OC[C@@H](N)C)C	0.018	0.321	0.191	0.372	0.028	0.098	0.005	0.073	0.409	0.001	0.126
Compound_641	C[C@H](COc1c(C)cc(cc1C)O)N	0.098	0.193	0.787	0.502	0.182	0.085	0.007	0.449	0.541	0.01	0.158
Compound_642	CC(N(C(C)C)CCc1c[nH]c2c1cc(O)cc2)C	0.169	0.538	0.832	0.353	0.51	0.671	0.018	0.18	0.358	0.209	0.414
Compound_643	CC(=O)ONc1ccc(cc1)n1c2ccccc2c2c1cncc2	0.475	0.645	0.122	0.549	0.432	0.791	0.997	0.378	0.542	0.118	0.793
Compound_644	CCC1(C(=NC(=O)N=C1O)O)c1ccc(cc1)OS(=O)(=O)O	0.09	0.567	0.07	0.316	0.515	0.7	0.23	0.074	0.151	0.022	0.402
Compound_645	CCCN(CCc1ccc(c(c1)OCCc1cccc(c1)O)OC)CCC	0.08	0.383	0.484	0.375	0.316	0.685	0.015	0.222	0.042	0.007	0.287
Compound_646	CC(C(=O)c1ccc(c(c1)O)O)N1CCCC1	0.255	0.382	0.291	0.251	0.263	0.237	0.019	0.681	0.178	0.014	0.132
Compound_647	OCc1ccc(cc1)C(=O)C(N1CCCC1)C	0.036	0.393	0.262	0.087	0.022	0.239	0.018	0.027	0.139	0.001	0.052
Compound_648	Cn1c(NOS(=O)(=O)O)nc2c1cc(cn2)c1ccccc1	0.349	0.543	0.446	0.407	0.49	0.706	0.152	0.841	0.589	0.234	0.557
Compound_649	COc1cc(ccc1Cc1cn(c2c1cc(cc2)N=C(OC1CCCC1)O)CO)C(=NS(=O)(=O)c1ccccc1C)O	0.69	0.689	0.934	0.544	0.622	0.79	0.822	0.693	0.166	0.199	0.393
Compound_650	COc1ccc2c(c1)[nH]c(n2)S(=O)Cc1ncc(c(c1CO)OC)C	0.299	0.611	0.936	0.465	0.416	0.693	0.083	0.36	0.349	0.767	0.287
Compound_651	OC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=C)c1ccc(cc1)C(=O)O	0.798	0.522	0.028	0.4	0.756	0.978	0.775	0.405	0.056	0.996	0.65
Compound_652	OCc1ccc(cc1)C(=O)C(CN1CCCCC1)C	0.082	0.163	0.213	0.071	0.018	0.424	0.021	0.369	0.106	0.004	0.025
Compound_653	COc1ccc(cc1C(=NCCc1ccc(cc1)S(=O)(=O)NC(=N[C@H]1CCC[C@@H](C1)O)O)O)Cl	0.271	0.433	0.027	0.209	0.426	0.594	0.014	0.05	0.2	0.54	0.281
Compound_654	O=C1CC[C@]2(C(=C1)[C@](C)(O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C	0.958	1.0	0.024	0.914	0.809	0.961	0.106	0.987	0.088	0.509	0.042
Compound_655	Oc1ccc2c(c1)n(C)c1c2C(=O)C(CC1)Cn1ccnc1C	0.467	0.717	0.193	0.461	0.7	0.769	0.735	0.172	0.377	0.04	0.465
Compound_656	CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c1ccc(cc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)/c1ccccc1	0.277	0.647	0.0	0.62	0.758	0.569	0.015	0.216	0.048	0.118	0.132
Compound_657	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccccc1	0.551	0.451	0.015	0.49	0.148	0.191	0.287	0.342	0.285	0.406	0.402
Compound_658	O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)CC1CC1	0.67	0.594	0.02	0.32	0.52	0.628	0.078	0.368	0.14	0.683	0.533
Compound_659	OCC(CO[C@H]1O[C@@H](C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O)(CBr)CBr	0.194	0.245	0.01	0.587	0.293	0.411	0.056	0.711	0.099	0.888	0.31
Compound_660	CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)N([C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)C(F)(F)F)Cl	0.75	0.53	0.954	0.554	0.719	0.668	0.599	0.867	0.544	0.709	0.798
Compound_661	OC(=O)[C@H]1O[C@@H](ON(C(c2cc3c(s2)cccc3)C)C(=N)O)[C@@H]([C@H]([C@@H]1O)O)O	0.566	0.618	0.137	0.43	0.28	0.525	0.013	0.118	0.291	0.372	0.642
Compound_662	CC(/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(=O)(C)C)/c1ccccc1)O	0.142	0.447	0.017	0.623	0.926	0.983	0.001	0.275	0.191	0.017	0.352
Compound_663	OC1C2CCC1(C)C(=O)C2(C)C	0.779	0.561	0.04	0.471	0.677	0.247	0.029	0.353	0.082	0.603	0.198
Compound_664	N#Cc1ccccc1OC[C@@H](CNC(C)(C)C)O	0.013	0.356	0.021	0.175	0.137	0.046	0.001	0.002	0.353	0.006	0.108
Compound_665	Oc1cccc(c1)c1noc(c1c1ccc(cc1)S(=O)(=O)N)C	0.8	0.406	0.019	0.39	0.8	0.693	0.917	0.194	0.101	0.002	0.202
Compound_666	CC1OC1(C)C(=O)OC1Cc2cc3ccc(=O)oc3cc2OC1(C)C	0.752	0.603	0.658	0.582	0.918	0.437	0.936	0.706	0.463	0.522	0.908
Compound_667	Oc1ccc(cc1)C1C(Oc2c(S1=O)cc(cc2)O)c1ccc(cc1)OCCN1CCCCC1	0.505	0.613	0.173	0.534	0.787	0.659	0.03	0.713	0.266	0.811	0.4
Compound_668	C[C@H](COc1c(C)ccc(c1C)O)N	0.097	0.206	0.733	0.568	0.352	0.445	0.009	0.71	0.588	0.01	0.151
Compound_669	C[C@@H](COc1c(C)ccc(c1C)O)N	0.097	0.206	0.733	0.568	0.352	0.445	0.009	0.71	0.588	0.01	0.151
Compound_670	NCCc1c[nH]c2c1cc(cc2)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.315	0.516	0.185	0.386	0.426	0.641	0.019	0.041	0.04	0.019	0.284
Compound_671	OC(CN1CCN(CC1C(=NC(C)(C)C)O)Cc1cccnc1)CC(C(=NC1C(O)C(c2c1cccc2)O)O)Cc1ccccc1	0.434	0.657	0.004	0.201	0.452	0.605	0.013	0.017	0.184	0.899	0.232
Compound_672	OC(=NC(C(CC(N=C(C(N1CCC(=NC1=O)O)C(C)C)O)Cc1ccccc1)O)Cc1ccccc1)COc1c(C)cccc1C	0.36	0.444	0.727	0.318	0.521	0.679	0.19	0.777	0.339	0.642	0.094
Compound_673	C#CC1(O)CCC2C1(C)CCC1C2CCc2c1cc(O)c(c2)O	0.982	0.927	0.01	0.396	0.978	0.837	0.37	0.251	0.133	0.988	0.774
Compound_674	OC(CN1CCN(CC1C(=NC(C)(C)C)O)Cc1cccn(=O)c1)CC(C(=NC1C(O)Cc2c1cccc2)O)Cc1ccccc1	0.461	0.679	0.038	0.284	0.412	0.559	0.016	0.118	0.188	0.968	0.631
Compound_675	CCCC(OC1CC2C(C1C(=O)CO)(C)CC(C1C2CCC2=CC(=O)C=CC12C)O)O	0.926	1.0	0.033	0.969	0.861	0.958	0.034	0.68	0.229	0.135	0.211
Compound_676	CCC(C(=O)OC1CC(C)(O)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)(C)C	0.887	0.88	0.015	0.345	0.961	0.763	0.145	0.972	0.378	0.972	0.391
Compound_677	COCCOc1cc2c(ncnc2cc1OCCOC)Nc1ccc(c(c1)C#C)O	0.515	0.663	0.991	0.684	0.785	0.713	0.645	0.964	0.675	0.435	0.154
Compound_678	OCC(C1CCC(CC1)C(=NC(C(=O)O)Cc1ccccc1)O)C	0.383	0.436	0.011	0.236	0.111	0.181	0.091	0.013	0.119	0.021	0.022
Compound_679	Cc1ccc(cc1)S(=O)(=O)NC(=NN1CC2C(C1)CCC2O)O	0.097	0.366	0.0	0.094	0.186	0.419	0.014	0.001	0.267	0.023	0.191
Compound_680	OC(=O)C1OC(C(C(C1O)O)O)[N+](CCCN1c2ccccc2CCc2c1cccc2)(C)C	0.23	0.646	0.115	0.494	0.574	0.374	0.035	0.088	0.071	0.099	0.279
Compound_681	OC(=NC(C(CC(N=C(C(N1CCC(N=C1O)O)C(C)C)O)Cc1ccccc1)O)Cc1ccccc1)COc1c(C)cccc1C	0.44	0.454	0.037	0.357	0.367	0.576	0.12	0.126	0.245	0.643	0.077
Compound_682	CNC1CN(CC1O)c1ccc2c(n1)n(cc(c2=O)C(=O)O)c1nccs1	0.632	0.571	0.005	0.248	0.215	0.683	0.108	0.324	0.189	0.046	0.491
Compound_683	NCCc1ccc(c(c1)O)OC1OC(C(=O)O)C(C(C1O)O)O	0.22	0.42	0.005	0.401	0.132	0.133	0.008	0.062	0.035	0.023	0.03
Compound_684	COCC(=O)N(c1c(C)ccc(c1C)O)C(C(=O)OC)C	0.562	0.371	0.634	0.659	0.329	0.132	0.223	0.427	0.318	0.011	0.108
Compound_685	COCC[C@@H]1C[C@@H]2CN3[C@H]1[C@@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2	0.456	0.792	0.58	0.198	0.668	0.664	0.475	0.333	0.187	0.007	0.639
Compound_686	OC1=Nc2ccc(cc2[C@]2(N(C1)[C@H](C)CO2)c1ccccc1Cl)Cl	0.532	0.726	0.127	0.149	0.809	0.761	0.076	0.007	0.355	0.501	0.774
Compound_687	Oc1cc2O[C@H](c3cc(O[C@@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O)O)O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O	0.238	0.642	0.035	0.531	0.851	0.365	0.279	0.644	0.229	0.06	0.191
Compound_688	CCCCNCC[C@H](c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O	0.029	0.406	0.19	0.31	0.883	0.617	0.447	0.038	0.44	0.744	0.512
Compound_689	O[C@@H]1[C@@H](O)[C@H](Oc2ccc3c(c2)[C@]24CCCC[C@H]4[C@@H](C3)NCC2)O[C@@H]([C@H]1O)C(=O)O	0.386	0.503	0.008	0.478	0.345	0.632	0.347	0.054	0.089	0.034	0.319
Compound_690	CNC1CN(CC1OC)c1ccc2c(n1)N(CC(C2=O)C(=O)O)c1nccs1	0.624	0.694	0.091	0.226	0.197	0.666	0.109	0.5	0.144	0.066	0.65
Compound_691	O=C1C=CC2(C(=C1)C(O)CC1C2=CCC2(C1CC(C2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C	0.458	0.719	0.007	0.54	0.771	0.699	0.081	0.941	0.221	0.522	0.387
Compound_692	COc1ccc(cc1S(=O)(=O)N)CC(NCCOc1ccccc1O)C	0.056	0.584	0.006	0.224	0.277	0.499	0.031	0.002	0.163	0.005	0.132
Compound_693	COc1cc2OCC3C(c2cc1O)C(=O)c1c(O3)c2CC(Oc2cc1)C(=C)C	0.684	0.727	0.276	0.505	0.962	0.734	0.901	0.969	0.295	0.034	0.942
Compound_694	OC(=O)NCC(=O)C(N=C(CCC(C(=O)O)N)O)CSCc1n2c(C)c(c(=O)n2c(=O)c1C)C	0.487	0.529	0.001	0.207	0.446	0.622	0.027	0.018	0.357	0.018	0.521
Compound_695	CC(=Nc1ccc(cc1)c1ccc(cc1)NC1OC(C(=O)O)C(C(C1O)O)O)O	0.386	0.711	0.048	0.523	0.345	0.337	0.097	0.421	0.281	0.443	0.131
Compound_696	OC(=O)C1OC(C(C(C1O)O)O)[N+]1(C)CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1	0.385	0.713	0.008	0.499	0.08	0.059	0.011	0.141	0.073	0.031	0.251
Compound_697	OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)O)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O	0.342	0.614	0.242	0.552	0.96	0.661	0.175	0.251	0.261	0.134	0.883
Compound_698	COc1c(cccc1O)CC(N)C	0.23	0.137	0.531	0.516	0.02	0.027	0.015	0.041	0.531	0.023	0.075
Compound_699	CCNS(=O)(=O)NC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3CC	0.53	0.547	0.357	0.227	0.093	0.565	0.645	0.02	0.287	0.917	0.385
Compound_700	N=c1[nH]c2c(s1)cc(cc2O)OC(F)(F)F	0.679	0.531	0.896	0.644	0.601	0.638	0.065	0.495	0.778	0.355	0.896
Compound_701	N=c1[nH]c2c(s1)c(O)c(cc2)OC(F)(F)F	0.659	0.627	0.873	0.603	0.64	0.624	0.146	0.856	0.617	0.459	0.903
Compound_702	CCNCc1cc(=O)oc2c1ccc(c2)OC	0.076	0.765	0.659	0.503	0.044	0.218	0.002	0.072	0.307	0.443	0.629
Compound_703	CCCCNCc1cc(=O)oc2c1ccc(c2)OC	0.409	0.69	0.399	0.447	0.142	0.167	0.008	0.238	0.633	0.173	0.275
Compound_704	OC(=O)c1cnc2c(n1)c1[nH]c(=N)n(c1cc2)C	0.505	0.698	0.039	0.281	0.255	0.302	0.002	0.042	0.384	0.038	0.375
Compound_705	CCN(CCCN(c1ccc(cc1)O)C1Cc2c(C1)cccc2)CC	0.144	0.68	0.223	0.324	0.718	0.756	0.01	0.29	0.547	0.918	0.904
Compound_706	C1CCC2C(C1)C1CCC3C4C1C(C2)CCC4=CC1C3O1	0.987	0.566	0.333	0.559	0.989	0.871	0.805	0.153	0.617	1.0	0.677
Compound_707	OC1CC2(CC1C(C2=O)(C)C)C	0.796	0.553	0.043	0.486	0.541	0.256	0.046	0.218	0.08	0.6	0.144
Compound_708	Oc1ccc(cc1C(F)(F)F)N1CCNCC1	0.096	0.419	0.033	0.37	0.424	0.176	0.098	0.545	0.36	0.003	0.49
Compound_709	CNCCCC12CCC(c3c1cccc3)c1c2cc(O)cc1	0.289	0.675	0.098	0.22	0.848	0.918	0.39	0.16	0.365	0.005	0.562
Compound_710	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(c(c1)O)O	0.93	0.479	0.371	0.769	0.949	0.645	0.958	0.236	0.22	0.883	0.993
Compound_711	O=C1N=C(C(S1)Cc1ccc(cc1)OCCNc1ncccc1O)O	0.486	0.568	0.265	0.44	0.308	0.523	0.007	0.628	0.355	0.518	0.303
Compound_712	CCc1cccc(c1)OS(=O)(=O)O	0.387	0.305	0.247	0.294	0.303	0.251	0.986	0.094	0.152	0.651	0.212
Compound_713	O=C1C=C2[C@H](S1)CCN(C2)[C@H](c1ccccc1F)C(=O)C1CC1	0.413	0.656	0.943	0.326	0.372	0.412	0.031	0.87	0.421	0.305	0.204
Compound_714	OC/C=C(/CCC=C(CC/C=C(/CO)\C)C)\C	0.471	0.198	0.206	0.46	0.268	0.06	0.225	0.166	0.452	0.454	0.858
Compound_715	COc1cc(ccc1C(=NCc1ccc(cc1)C(F)(F)F)O)C[C@@H]1SC(=O)N=C1O	0.486	0.562	0.798	0.505	0.662	0.689	0.816	0.666	0.28	0.054	0.73
Compound_716	OC(=O)CN=C([C@@H](N=C(CC[C@@H](C(=O)O)N)O)CSc1cccc(c1N(=O)=O)N(=O)=O)O	0.42	0.214	0.055	0.297	0.695	0.463	0.001	0.22	0.03	0.541	0.269
Compound_717	CC[N+](CCc1c(O)oc2c(c1C)ccc(=O)c2)(CC)C	0.493	0.739	0.231	0.679	0.515	0.646	0.014	0.976	0.195	0.039	0.165
Compound_718	CCOCNc1c(C)cccc1CC	0.565	0.491	0.954	0.461	0.087	0.174	0.028	0.151	0.338	0.929	0.365
Compound_719	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.768	0.806	0.133	0.601	0.834	0.389	0.308	0.866	0.34	0.057	0.594
Compound_720	Oc1ccc(cc1)[C@@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)N=C(c1ccccc1)O	0.877	0.697	0.025	0.511	0.947	0.855	0.329	0.096	0.371	0.596	0.701
Compound_721	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(cc2)O)ccc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.638	0.568	0.059	0.561	0.716	0.554	0.239	0.669	0.371	0.466	0.61
Compound_722	COc1ccccc1OCCNC[C@@H](COc1cccc2c1c1cccc(c1[nH]2)O)O	0.167	0.575	0.211	0.167	0.786	0.641	0.85	0.011	0.36	0.486	0.564
Compound_723	OC(=NC(C(=O)O)Cc1ccccc1)C1CCC(CC1)C(O)(C)C	0.417	0.544	0.038	0.251	0.175	0.162	0.113	0.027	0.184	0.015	0.043
Compound_724	CC(=CCOC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)CCC=C(CCC=C(C)C)C	0.478	0.498	0.053	0.42	0.212	0.282	0.361	0.603	0.102	0.845	0.278
Compound_725	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.243	0.604	0.065	0.416	0.696	0.685	0.297	0.022	0.193	0.092	0.646
Compound_726	OC(=O)[C@H]1OC(Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.666	0.76	0.19	0.551	0.739	0.709	0.942	0.616	0.145	0.054	0.719
Compound_727	Oc1ccc(cc1)C(c1ccc(cc1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)(C)C	0.415	0.648	0.013	0.401	0.854	0.68	0.568	0.044	0.143	0.146	0.203
Compound_728	OS(=O)(=O)OCCc1ccc2c3c1ccc1c3c(cc2)ccc1	0.514	0.516	0.351	0.372	0.83	0.732	0.988	0.559	0.169	0.456	0.363
Compound_729	CCC(Cc1ccc(c(c1)O)O)NC	0.114	0.175	0.279	0.291	0.087	0.046	0.0	0.256	0.115	0.135	0.08
Compound_730	OC(=O)[C@H]1O[C@@H](Oc2cccc3c2n(C)c2c3C(=O)C(CC2)Cn2ccnc2C)[C@@H]([C@H]([C@@H]1O)O)O	0.585	0.722	0.017	0.46	0.361	0.614	0.561	0.308	0.176	0.029	0.698
Compound_731	OC12CCCCN2CC2CC1CN1CCCCC21	0.449	0.528	0.094	0.074	0.282	0.635	0.001	0.089	0.363	0.221	0.079
Compound_732	COc1cc(CCN(CCC[C@](c2ccc(c(c2)OC)O)(C(C)C)C#N)C)ccc1OC	0.071	0.519	0.05	0.167	0.377	0.527	0.012	0.191	0.302	0.01	0.605
Compound_733	COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)CC(C(=O)O4)O)C	0.937	0.99	0.066	0.889	0.956	0.876	0.271	0.993	0.384	0.347	0.453
Compound_734	ClCCN[P@]1(=O)NCCCO1	0.129	0.26	0.054	0.388	0.268	0.11	0.003	0.993	0.884	0.014	0.094
Compound_735	OC(=O)[C@H]1OC(OC(=O)C(CCCOc2cc(C)ccc2C)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.268	0.696	0.037	0.42	0.265	0.281	0.175	0.157	0.347	0.17	0.804
Compound_736	OCc1c(c2ccc(cc2)F)c(/C=C/C(CC(CC(=O)O)O)O)c(nc1C(C)C)C(C)C	0.792	0.726	0.868	0.505	0.46	0.516	0.376	0.752	0.148	0.239	0.134
Compound_737	COC(=O)c1c(C)nc(c(c1c1cccc(c1)N(=O)=O)C(=O)OC1CCN(C1)Cc1ccccc1)C	0.453	0.88	0.205	0.351	0.691	0.578	0.679	0.302	0.333	0.584	0.672
Compound_738	Oc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1	0.119	0.483	0.449	0.35	0.589	0.901	0.004	0.947	0.359	0.106	0.202
Compound_739	OC(=O)C1OC(C(C(C1O)O)O)[N+](C(CN1c2ccccc2Sc2c1cccc2)C)(C)C	0.164	0.61	0.007	0.485	0.786	0.135	0.004	0.034	0.11	0.475	0.338
Compound_740	N=c1cc[nH]cc1OS(=O)(=O)O	0.369	0.556	0.167	0.35	0.306	0.353	0.064	0.126	0.185	0.052	0.384
Compound_741	OC(=O)[C@H]1OC(OC2(CCN(CC2)CCCC(=O)c2ccc(cc2)F)c2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1O)O)O	0.145	0.546	0.275	0.215	0.4	0.617	0.032	0.011	0.105	0.354	0.647
Compound_742	OC(=O)[C@H]1OC(Oc2ccccc2C(=Nc2ncc(s2)N(=O)=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.448	0.626	0.056	0.432	0.388	0.603	0.138	0.022	0.144	0.832	0.603
Compound_743	CC[C@@H]1C[C@@H]2CN3[C@H]1[C@H](C2)c1[nH]c2c(c1CC3)cc(cc2)OC	0.285	0.688	0.235	0.242	0.689	0.705	0.116	0.047	0.652	0.908	0.702
Compound_744	ClCCN[P@@]1(=O)NCCCO1	0.129	0.26	0.054	0.388	0.268	0.11	0.003	0.993	0.884	0.014	0.094
Compound_745	C[C@@H](COc1c(C)cc(cc1C)O)N	0.098	0.193	0.787	0.502	0.182	0.085	0.007	0.449	0.541	0.01	0.158
Compound_746	OCc1cccc(c1OC[C@H](N)C)C	0.018	0.321	0.191	0.372	0.028	0.098	0.005	0.073	0.409	0.001	0.126
Compound_747	ON[C@@H](COc1c(C)cccc1C)C	0.111	0.301	0.314	0.515	0.064	0.588	0.004	0.195	0.392	0.094	0.206
Compound_748	ON[C@H](COc1c(C)cccc1C)C	0.111	0.301	0.314	0.515	0.064	0.588	0.004	0.195	0.392	0.094	0.206
Compound_749	C[C@H](C(=O)c1ccc(cc1)C)N1CCCC1	0.061	0.344	0.099	0.064	0.011	0.121	0.009	0.108	0.203	0.043	0.054
Compound_750	C[C@H](C(=O)c1ccc2c(c1)OCO2)N1CCCC1	0.117	0.516	0.794	0.117	0.068	0.469	0.018	0.158	0.26	0.364	0.49
Compound_751	COCCc1ccc(cc1)OC[C@@H](CN)O	0.032	0.267	0.019	0.369	0.119	0.279	0.011	0.059	0.284	0.005	0.006
Compound_752	CCC[C@@H]1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@@H](C1)O)C)C	0.952	1.0	0.041	0.974	0.83	0.908	0.326	0.797	0.333	0.421	0.415
Compound_753	CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H](C[C@H](CC(=O)O)O)O)[C@H](C=C2)C)(C)C	0.902	0.88	0.013	0.366	0.929	0.684	0.087	0.982	0.372	0.972	0.391
Compound_754	OC(=N)N([C@H](c1cc2c(s1=O)cccc2)C)O	0.297	0.402	0.026	0.35	0.128	0.448	0.003	0.051	0.255	0.446	0.567
Compound_755	CC(=O)C[C@H](c1c(=O)oc2c(c1O)ccc(c2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccccc1	0.56	0.451	0.013	0.512	0.379	0.376	0.876	0.32	0.32	0.406	0.402
Compound_756	CC[C@@H](C(=O)c1ccc(cc1)C)N1CCCC1	0.059	0.4	0.103	0.125	0.011	0.121	0.009	0.239	0.205	0.77	0.101
Compound_757	OC[C@H]([C@H]1OC(=O)C(=C1O)OS(=O)(=O)O)O	0.819	0.507	0.007	0.211	0.175	0.485	0.075	0.044	0.182	0.755	0.321
Compound_758	O=C1N=C(C(S1)Cc1ccc(cc1)OCCN(c1ncccc1O)C)O	0.484	0.552	0.596	0.461	0.292	0.499	0.019	0.544	0.296	0.061	0.245
Compound_759	COc1ccc(cc1OC)CCN=C(CNc1ccc(c(c1)C(=NC)O)O)O	0.456	0.686	0.776	0.41	0.391	0.593	0.002	0.011	0.203	0.117	0.13
Compound_760	CCCC(C(=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)CCC	0.331	0.333	0.008	0.351	0.094	0.16	0.077	0.317	0.348	0.335	0.281
Compound_761	CC1OC(c2c1c(ccc2)N=C(c1c(C)[nH]nc1Cl)O)(C)C	0.307	0.692	0.107	0.342	0.859	0.693	0.833	0.023	0.501	0.959	0.757
Compound_762	CCCCCC=CCC=CCCCCCCCCO[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.748	0.326	0.017	0.404	0.321	0.273	0.52	0.721	0.222	0.926	0.353
Compound_763	CO[C@@H]1CN(CCCOc2ccc(c(c2)F)O)CC[C@@H]1N=C(c1cc(Cl)c(cc1OC)N)O	0.53	0.59	0.587	0.281	0.706	0.534	0.152	0.043	0.528	0.121	0.353
Compound_764	CO[C@@H]1CN(CCCOc2ccc(cc2O)F)CC[C@@H]1N=C(c1cc(Cl)c(cc1OC)N)O	0.479	0.6	0.482	0.251	0.5	0.472	0.193	0.039	0.537	0.1	0.306
Compound_765	O=C1CC(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=C)c1ccc(cc1)C(=O)O	0.927	0.498	0.15	0.411	0.798	0.96	0.772	0.703	0.102	0.968	0.763
Compound_766	COC1CN(CCCOc2ccc(cc2O)F)CCC1N=C(c1cc(Cl)c(cc1OC)N)O	0.479	0.6	0.482	0.251	0.5	0.472	0.193	0.039	0.537	0.1	0.306
Compound_767	O=c1oc2cc(OCc3cc(ccc3C(F)(F)F)C(F)(F)F)ccc2c(c1)C(F)(F)F	0.852	0.574	0.986	0.719	0.986	0.861	0.998	0.698	0.435	0.696	0.982
Compound_768	OCC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C	0.73	0.569	0.894	0.765	0.7	0.637	0.872	0.59	0.567	0.012	0.83
Compound_769	COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2([C@H]1CC[C@H]2O)C	0.902	0.94	0.013	0.523	0.961	0.986	0.022	0.936	0.06	0.966	0.941
Compound_770	CCCCCN(C(=O)C(N=C(c1ccc(c(c1)Cl)Cl)O)CCC(=O)O)CCCO	0.267	0.358	0.49	0.267	0.091	0.275	0.008	0.427	0.39	0.121	0.12
Compound_771	COc1cc2O[C@@H]3[C@H](c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3	0.784	0.709	0.899	0.5	0.859	0.86	0.819	0.761	0.253	0.712	0.748
Compound_772	COc1ccc(cc1)[C@H](C(Cl)(Cl)Cl)c1ccc(c(c1)O)O	0.93	0.479	0.371	0.769	0.949	0.645	0.958	0.236	0.22	0.883	0.993
Compound_773	OC(=O)[C@H]1O[C@@H](Oc2cc(C)ccc2C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.172	0.527	0.028	0.406	0.247	0.175	0.191	0.088	0.151	0.419	0.194
Compound_774	OC(=O)CC[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2	0.223	0.379	0.027	0.129	0.261	0.45	0.012	0.013	0.302	0.202	0.12
Compound_775	CCOC(=O)c1c(C)nc(c(c1c1cccc2c1OCO2)C(=O)OC)C	0.488	0.677	0.998	0.677	0.178	0.684	0.858	0.821	0.334	0.195	0.993
Compound_776	CCOC(=O)c1c(C)nc(c(c1c1cccc2c1OCO2)C(=O)O)C	0.463	0.612	1.0	0.566	0.227	0.701	0.829	0.856	0.254	0.085	0.984
Compound_777	OC(=O)CC=CC[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2	0.34	0.406	0.014	0.174	0.265	0.414	0.034	0.082	0.33	0.286	0.137
Compound_778	COc1ccc(cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	0.286	0.743	0.01	0.459	0.815	0.726	0.145	0.271	0.308	0.019	0.779
Compound_779	OC(=O)[C@H]1OC(Oc2c(cccc2C(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.192	0.527	0.019	0.413	0.157	0.148	0.38	0.089	0.089	0.419	0.194
Compound_780	OC(=O)[C@H]1OC(Oc2c(cc(cc2C(C)C)O)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.34	0.527	0.02	0.447	0.523	0.263	0.408	0.117	0.12	0.419	0.194
Compound_781	CC(C(C)(C)C)N=C(N=c1cc[nH]cc1)NC(=N)O	0.415	0.371	0.015	0.305	0.362	0.763	0.0	0.011	0.524	0.036	0.256
Compound_782	CN(=O)(CCCCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C	0.122	0.676	0.597	0.755	0.899	0.307	0.919	0.488	0.412	0.003	0.572
Compound_783	CN(CCCCCN1c2ccccc2S(=O)c2c1cc(cc2)C(F)(F)F)C	0.088	0.63	0.068	0.345	0.837	0.156	0.882	0.185	0.398	0.016	0.461
Compound_784	C=CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](O)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2	0.93	0.847	0.005	0.448	0.411	0.856	0.018	0.952	0.698	0.43	0.417
Compound_785	OC(=O)[C@H]1O[C@@H](On2nnc(=NC(=O)c3cc(Oc4ccccc4)c4n(c3=O)cccc4)[nH]2)[C@@H]([C@H]([C@@H]1O)O)O	0.635	0.522	0.012	0.434	0.124	0.451	0.143	0.087	0.305	0.502	0.547
Compound_786	OS(=O)(=O)OCc1ccco1	0.296	0.322	0.068	0.261	0.058	0.4	0.918	0.348	0.276	0.044	0.274
Compound_787	COc1cc(cc(c1O)O)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)c1cccs1	0.952	0.841	0.1	0.498	0.898	0.884	0.695	0.149	0.852	0.229	0.9
Compound_788	CCc1c(O)ccc2c1oc(c2)C(CNC(C)(C)C)O	0.113	0.554	0.183	0.227	0.036	0.575	0.394	0.034	0.104	0.026	0.344
Compound_789	OC(=O)CCc1c2[nH]c(c1CC(=O)O)Cc1[nH]c(c(c1CCC(=O)O)CC(=O)O)Cc1[nH]c(C(c3[nH]c(C2)c(CC(=O)O)c3CCC(=O)O)O)c(CC(=O)O)c1CCC(=O)O	0.402	0.479	0.046	0.249	0.775	0.654	0.909	0.055	0.204	0.196	0.394
Compound_790	CCCCCC=CCC=CCC=CC(C=CCCCC(=O)O)O	0.649	0.052	0.048	0.097	0.553	0.106	0.887	0.4	0.265	0.943	0.105
Compound_791	S=C(N(c1cccc(n1)O)C)Oc1cccc(c1)C(C)(C)C	0.653	0.678	0.467	0.633	0.446	0.535	0.117	0.557	0.569	0.802	0.184
Compound_792	CC(CCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCC(C2)O)O	0.355	0.628	0.353	0.589	0.256	0.726	0.461	0.667	0.388	0.008	0.322
Compound_793	CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCC(C2)O	0.348	0.658	0.353	0.609	0.256	0.726	0.461	0.713	0.427	0.039	0.418
Compound_794	O=C(Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl)OCC(=O)O	0.312	0.452	0.087	0.301	0.929	0.702	0.99	0.107	0.308	0.116	0.692
Compound_795	N#CC(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_796	CC(CCCCOc1ccc2c(c1)oc(=O)cc2)O	0.323	0.515	0.799	0.595	0.732	0.261	0.622	0.331	0.158	0.438	0.357
Compound_797	CCC(CCCOc1ccc2c(c1)oc(=O)cc2)O	0.344	0.712	0.799	0.543	0.3	0.265	0.161	0.281	0.314	0.895	0.738
Compound_798	CCCC(CCOc1ccc2c(c1)oc(=O)cc2)O	0.321	0.542	0.612	0.56	0.274	0.232	0.187	0.343	0.645	0.913	0.699
Compound_799	Cn1c(C)nc2c1c(=O)n(c(=O)n2Cc1ccco1)C	0.364	0.533	0.383	0.361	0.134	0.466	0.002	0.068	0.245	0.037	0.344
Compound_800	Cn1c(C)nc2c1c(=O)n(c(=O)n2CC1CCCCC1)C	0.297	0.515	0.023	0.371	0.279	0.37	0.0	0.035	0.875	0.422	0.058
Compound_801	Oc1ccc(cc1)c1sc2c(c1C(=O)c1ccc(cc1)OCCN1CCCCC1)ccc(c2O)O	0.891	0.466	0.194	0.881	0.754	0.64	0.807	0.895	0.486	0.935	0.897
Compound_802	CO[C@]12CC[C@@]3(CC1[C@@](CCc1cccs1)(O)C)[C@@]14C2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O	0.514	0.743	0.034	0.343	0.858	0.64	0.118	0.278	0.358	0.205	0.847
Compound_803	CCCCCC=CCC=CCC(C=CC=CCCCC(=O)O)O	0.656	0.052	0.265	0.141	0.547	0.197	0.831	0.581	0.222	0.943	0.105
Compound_804	O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@]2([C@@H]1CCCC2)O	0.245	0.539	0.474	0.182	0.421	0.712	0.037	0.759	0.413	0.012	0.169
Compound_805	CCC(C(=O)O[C@H]1C[C@@H](C)C(C2=CC([C@@H]([C@@H]([C@@H]12)CC[C@@H]1C[C@@H](O)CC(=O)O1)C)O)O)(C)C	0.946	0.93	0.005	0.758	0.919	0.499	0.049	0.985	0.435	0.986	0.424
Compound_806	Oc1ccc2c(c1)c1CCn3c(c1[nH]2)nc1c(c3=O)cccc1	0.571	0.672	0.965	0.471	0.781	0.712	0.864	0.402	0.411	0.012	0.137
Compound_807	O[C@@H]1CCc2c(C1)c(O)c1c(c2)cc(cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.409	0.551	0.187	0.484	0.745	0.69	0.919	0.226	0.244	0.183	0.051
Compound_808	CCCCCC=C[C@H](C=CCCCCCCCC(=O)O)OO	0.872	0.113	0.171	0.095	0.459	0.127	0.966	0.297	0.057	0.99	0.326
Compound_809	Oc1cccc2c1nc1CCCCc1c2N	0.194	0.626	0.482	0.385	0.731	0.681	0.278	0.472	0.668	0.589	0.856
Compound_810	O=CC(=O)NCCc1ccc(c(c1)OC)OC	0.05	0.311	0.413	0.288	0.012	0.213	0.006	0.042	0.182	0.002	0.003
Compound_811	OC(=O)[C@H]1OC(OC(=O)c2ccc(cc2)c2cc(nn2c2ccc(cc2)S(=O)(=O)N)C(F)(F)F)[C@@H]([C@H]([C@@H]1O)O)O	0.435	0.348	0.013	0.487	0.739	0.636	0.888	0.688	0.108	0.002	0.523
Compound_812	OC(=O)[C@H]1O[C@@H](ONc2nc3c(n2C)cc(cn3)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.487	0.661	0.091	0.453	0.323	0.655	0.629	0.519	0.293	0.073	0.845
Compound_813	OCC(N=C([C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@@H](N=C([C@@H](NC(=O)c1ccc2c(n1)cccc2)CC(=N)O)O)Cc1ccccc1)O)O)(C)C	0.68	0.599	0.013	0.393	0.85	0.742	0.481	0.398	0.42	0.043	0.221
Compound_814	OC(=O)[C@H]1OC(Oc2ccc3c(c2)OCC(C3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.403	0.69	0.02	0.49	0.903	0.833	0.938	0.488	0.148	0.009	0.971
Compound_815	OC(=O)[C@@H]1O[C@H](Oc2ccccc2O)[C@H]([C@@H]([C@H]1O)O)O	0.267	0.482	0.009	0.411	0.424	0.069	0.011	0.062	0.114	0.526	0.26
Compound_816	OC(=O)[C@@H]1O[C@H](Oc2cc3[nH]ccc3cc2O)[C@H]([C@@H]([C@H]1O)O)O	0.366	0.596	0.032	0.444	0.5	0.641	0.011	0.153	0.105	0.124	0.895
Compound_817	COc1ccc(cc1O[C@H]1O[C@@H](C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O)CC1CCC(=O)O1	0.435	0.474	0.006	0.408	0.353	0.273	0.5	0.246	0.125	0.364	0.753
Compound_818	OC(Cc1cc(O)cc(c1)O)CCC(=O)OCOC1OC(C(O)O)C(C(C1O)O)O	0.466	0.527	0.042	0.564	0.705	0.462	0.716	0.154	0.563	0.663	0.343
Compound_819	O=C1CCC(O1)Cc1cc(OC2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)c(c(c1)O)O	0.505	0.437	0.005	0.481	0.73	0.264	0.399	0.321	0.27	0.487	0.784
Compound_820	C/C=C/c1ccc(c(c1)OC)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.429	0.569	0.081	0.566	0.284	0.184	0.1	0.622	0.117	0.254	0.277
Compound_821	COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c1O)OC	0.674	0.58	0.035	0.606	0.76	0.237	0.232	0.515	0.471	0.311	0.542
Compound_822	O=C(Cc1c[nH]c2c1cccc2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.426	0.473	0.286	0.384	0.263	0.639	0.015	0.274	0.138	0.072	0.724
Compound_823	OC(=N)N[C@H](c1cc2c(s1)cccc2)C	0.384	0.498	0.49	0.387	0.164	0.432	0.016	0.127	0.592	0.2	0.183
Compound_824	O[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)ccc(c2)O)O)CC(=O)O	0.769	0.575	0.937	0.606	0.927	0.76	0.489	0.901	0.218	0.463	0.153
Compound_825	COc1ccc(cc1CN[C@@H]1CCCN[C@H]1c1ccccc1)OC(F)(F)F	0.084	0.482	0.148	0.41	0.443	0.334	0.118	0.078	0.339	0.001	0.521
Compound_826	O[C@H](C[C@@H](CC(=O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)NS(=O)(=O)C)C(C)C	0.674	0.64	0.878	0.486	0.598	0.902	0.284	0.83	0.366	0.94	0.694
Compound_827	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)[C@H](O)[C@@H]3[C@]([C@@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(c1ccccc1)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.847	0.757	0.028	0.444	0.897	0.831	0.287	0.108	0.374	0.459	0.684
Compound_828	OC[C@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)c1ncncc1F	0.422	0.703	0.793	0.834	0.283	0.578	0.651	0.541	0.383	0.005	0.365
Compound_829	O[C@@H]1CC[C@]2([C@@H](C1)[C@@H](O)[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C)O)C	0.474	0.9	0.006	0.423	0.671	0.804	0.382	0.397	0.267	0.355	0.664
Compound_830	OC(=O)[C@H]1O[C@@H](Oc2c(O)ccc3c2CC[C@@H]2[C@@H]3CC[C@]3([C@H]2CCC3=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.572	0.779	0.003	0.333	0.821	0.594	0.287	0.421	0.089	0.485	0.942
Compound_831	CCN(C(=O)c1c(O)nc2c(c1O)c(Cl)ccc2)c1ccccc1	0.828	0.669	0.688	0.52	0.859	0.585	0.961	0.834	0.199	0.371	0.84
Compound_832	COc1ccccc1OCCNCC(OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)COc1cccc2c1c1ccccc1[nH]2	0.225	0.654	0.185	0.375	0.795	0.646	0.979	0.038	0.278	0.141	0.5
Compound_833	O=C1C2(C)CCC(C1(C)C)(C2)O	0.776	0.616	0.093	0.47	0.698	0.361	0.051	0.266	0.131	0.417	0.158
Compound_834	OCC1=CC[C@@H]2[C@H](C1)C2(C)C	0.969	0.287	0.042	0.606	0.605	0.219	0.118	0.493	0.452	0.16	0.715
Compound_835	N#Cc1c(O)ccc2c1cc(s2)C(=O)NC(=N)N	0.527	0.507	0.948	0.536	0.576	0.662	0.753	0.496	0.492	0.06	0.5
Compound_836	N#Cc1ccc(c2c1cc(s2)C(=O)NC(=N)N)O	0.554	0.484	0.905	0.441	0.635	0.645	0.827	0.448	0.489	0.049	0.398
Compound_837	CC(=O)ONc1ccc(cc1)c1ccc(cc1)N	0.66	0.698	0.909	0.809	0.618	0.953	1.0	0.995	0.907	0.655	0.797
Compound_838	OC(=N[C@H](C(=NCC(=O)O)O)CSC(C(=O)O)Cc1ccc(cc1)N(=O)=O)CC[C@@H](C(=O)O)N	0.44	0.255	0.078	0.354	0.782	0.219	0.022	0.033	0.318	0.759	0.128
Compound_839	CCCCc1cc(N)n2c(n1)c(O)cn2	0.344	0.581	0.027	0.546	0.288	0.628	0.002	0.2	0.15	0.082	0.555
Compound_840	CC([C@@]12CC(=O)[C@@]([C@H]2C1)(C)O)C	0.797	0.488	0.121	0.438	0.425	0.445	0.036	0.352	0.221	0.281	0.266
Compound_841	O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(O)(C)C	0.789	0.489	0.034	0.427	0.542	0.338	0.076	0.213	0.257	0.581	0.476
Compound_842	OC1C[C@@]2(C([C@H]1CC2=O)(C)C)C	0.791	0.663	0.011	0.503	0.528	0.263	0.042	0.472	0.091	0.984	0.402
Compound_843	OC(=O)C1OC(C(C(C1O)O)O)[N+](CC/C=C\1/c2ccccc2OCc2c1cccc2)(C)C	0.301	0.589	0.002	0.5	0.217	0.05	0.01	0.539	0.094	0.125	0.197
Compound_844	O=C1CC(O)[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C	0.967	1.0	0.015	0.833	0.748	0.881	0.052	0.993	0.059	0.339	0.057
Compound_845	Clc1ccccc1CN1CCc2c(C1)ccs2=O	0.321	0.661	0.664	0.199	0.175	0.447	0.072	0.151	0.496	0.857	0.288
Compound_846	CCCN=C(NS(=O)(=O)c1ccc(cc1O)Cl)O	0.068	0.3	0.011	0.222	0.598	0.54	0.001	0.013	0.225	0.056	0.241
Compound_847	CCCN=C(NS(=O)(=O)c1ccc(c(c1)O)Cl)O	0.102	0.3	0.002	0.13	0.5	0.645	0.001	0.028	0.246	0.056	0.221
Compound_848	OC1CC2C(C1)CN(C2)N=C(NS(=O)(=O)c1ccc(cc1)C)O	0.096	0.392	0.0	0.097	0.17	0.406	0.025	0.001	0.278	0.021	0.211
Compound_849	O[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cc(cc2)O)O)CC(=O)O	0.798	0.592	0.915	0.61	0.973	0.699	0.716	0.901	0.119	0.366	0.18
Compound_850	OC(=O)C[C@H](C[C@H](/C=C/c1[nH]c2c(c1c1ccc(cc1)F)cccc2)O)O	0.816	0.515	0.701	0.495	0.915	0.706	0.917	0.158	0.1	0.073	0.104
Compound_851	O=C(O[C@@H]1O[C@@H](C(=O)O)[C@H]([C@H]([C@H]1O)O)O)/C=C(/C=C/C=C(\C=C\C1=C(C)CCC(=O)C1(C)C)/C)\C	0.752	0.802	0.259	0.622	0.569	0.853	0.572	0.907	0.446	0.734	0.72
Compound_852	OC1C(O)C(OC(C1O)[N+]1(C)CC/C(=C\2/c3ccccc3CC(=O)c3c2ccs3)/CC1)C(=O)O	0.266	0.663	0.001	0.487	0.376	0.474	0.05	0.159	0.317	0.091	0.377
Compound_853	CN(CC/C=C\1/c2cc(ccc2OCc2c1cccc2)OC1OC(C(=O)O)C(C(C1O)O)O)C	0.393	0.677	0.0	0.255	0.712	0.366	0.011	0.115	0.095	0.051	0.14
Compound_854	OC(=O)[C@H]1O[C@@H](Oc2cc(C)c3c(n2)N(C2CC2)c2ncccc2C(=N3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.599	0.697	0.069	0.446	0.446	0.518	0.006	0.34	0.321	0.117	0.277
Compound_855	NC1CC(OC1CO[C@@H]1[C@@H](O)C(O)O[C@@H]([C@H]1O)C(=O)O)n1cc(C)c(nc1=O)O	0.432	0.34	0.005	0.316	0.102	0.229	0.009	0.044	0.07	0.053	0.857
Compound_856	OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)Oc1ccc(cc1)Oc1cccc(c1)C(C(=O)O)C)O	0.324	0.699	0.005	0.426	0.749	0.35	0.429	0.085	0.146	0.056	0.347
Compound_857	COc1cc2c(CCN=C(O)C)c[nH]c2cc1OC1OC(C(=O)O)C(C(C1O)O)O	0.372	0.766	0.093	0.304	0.415	0.647	0.042	0.033	0.083	0.067	0.348
Compound_858	OC1C(O)C(Oc2ccc3c(c2)c2CCN(c2[nH]3)C(=O)C)OC(C1O)C(=O)O	0.545	0.602	0.086	0.439	0.507	0.666	0.146	0.407	0.077	0.159	0.5
Compound_859	COc1ccc2c(c1)c(CCN=C(O)C)cn2C1OC(C(=O)O)C(C(C1O)O)O	0.582	0.751	0.125	0.374	0.165	0.349	0.159	0.013	0.074	0.089	0.42
Compound_860	O=C1N=C(C(S1)Cc1ccc(cc1)OCCNc1ncccc1OS(=O)(=O)O)O	0.477	0.612	0.396	0.446	0.305	0.572	0.012	0.496	0.342	0.135	0.552
Compound_861	Oc1ccc(=NCCOc2ccc(cc2)CC2SC(=O)N=C2O)[nH]c1	0.428	0.48	0.58	0.375	0.703	0.86	0.731	0.41	0.239	0.451	0.364
Compound_862	O=C1N=C(C(S1)Cc1ccc(cc1)OCCN=c1ccc(c[nH]1)OS(=O)(=O)O)O	0.563	0.564	0.331	0.35	0.646	0.73	0.751	0.563	0.2	0.265	0.488
Compound_863	O=n1cccc(c1)C1=CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O	0.813	0.9	0.047	0.442	0.547	0.615	0.06	0.93	0.14	0.681	0.56
Compound_864	CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.654	0.547	0.368	0.479	0.529	0.671	0.978	0.139	0.217	0.177	0.732
Compound_865	CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.728	0.86	0.077	0.403	0.585	0.648	0.762	0.161	0.253	0.324	0.989
Compound_866	OC(=O)C(c1ccc(cc1)C(=O)c1cccs1=O)C	0.253	0.639	0.57	0.449	0.06	0.102	0.566	0.752	0.272	0.996	0.118
Compound_867	OC(=O)C(c1ccc(cc1)C(=O)C1=CC2C(S1)O2)C	0.579	0.621	0.13	0.355	0.606	0.537	0.855	0.344	0.296	0.896	0.274
Compound_868	O=C1CC[C@H]2[C@]34[C@@H]1Oc1c4c(C[C@@H]2N(CC3)C)ccc1O[C@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.635	0.716	0.039	0.223	0.167	0.654	0.03	0.322	0.115	0.061	0.9
Compound_869	OC1CCC(CC1)N=C(NS(=O)(=O)c1ccc(cc1)CCN=C(c1ncc(nc1)C)O)O	0.265	0.366	0.005	0.159	0.313	0.533	0.003	0.085	0.101	0.059	0.122
Compound_870	COc1ccc(cc1C(=NCCc1ccc(cc1)S(=O)(=O)NC(=N[C@H]1CCCC[C@@H]1O)O)O)Cl	0.256	0.443	0.043	0.199	0.419	0.583	0.01	0.05	0.287	0.621	0.282
Compound_871	Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)C=CC1C2O1	0.527	0.528	0.739	0.348	0.689	0.782	0.166	0.348	0.419	0.011	0.218
Compound_872	O=C1CCC2(O1)[C@H]1C[C@H]1C1[C@]2(C)CCC2C1[C@H]1C[C@H]1C1[C@]2(C)CCC(C1)S(=O)(=O)O	0.635	0.831	0.014	0.441	0.842	0.652	0.607	0.795	0.386	0.91	0.38
Compound_873	CNCCC(c1ccco1)Oc1cccc2c1ccc(c2OS(=O)(=O)O)OC	0.219	0.623	0.055	0.364	0.097	0.557	0.364	0.364	0.372	0.103	0.511
Compound_874	CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)OS(=O)(=O)O	0.137	0.528	0.006	0.256	0.815	0.799	0.202	0.024	0.216	0.295	0.5
Compound_875	OC(=O)[C@@H]1OC(OC(=O)N2CCc3c(C(C2)C)cc(cc3)Cl)[C@H]([C@@H]([C@H]1C)C)C	0.294	0.613	0.426	0.376	0.225	0.438	0.057	0.751	0.123	0.837	0.464
Compound_876	OC(=O)[C@@H]1O[C@H](O[n+]2ccccc2)[C@H]([C@@H]([C@H]1O)O)O	0.377	0.501	0.04	0.351	0.053	0.452	0.12	0.37	0.083	0.411	0.811
Compound_877	O=Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N	0.621	0.243	0.966	0.637	0.416	0.442	0.421	0.601	0.475	0.299	0.34
Compound_878	CCc1cc2CC(=Nc2cc1Cl)O	0.169	0.51	0.431	0.401	0.793	0.406	0.977	0.023	0.727	0.635	0.552
Compound_879	CCCCCC(C(SC[C@@H](C(=NCC(=O)O)O)N=C(CC[C@@H](C(=O)O)N)O)CC=O)O	0.279	0.124	0.002	0.279	0.413	0.447	0.027	0.023	0.132	0.171	0.072
Compound_880	C/C(=C\COS(=O)(=O)O)/CCC=C(C)C	0.682	0.132	0.305	0.347	0.315	0.213	0.862	0.868	0.079	0.912	0.337
Compound_881	OCc1cc(ccc1S(=O)(=O)N)n1nc(cc1c1ccc(cc1)O)C(F)(F)F	0.287	0.368	0.037	0.472	0.808	0.638	0.453	0.972	0.111	0.003	0.519
Compound_882	Cc1sc2c(c1)C(=Nc1c(N2)cccc1)N1CCN(=O)(CC1)C	0.304	0.659	0.287	0.488	0.314	0.57	0.011	0.173	0.596	0.004	0.379
Compound_883	CCCCCNC(=N)N/N=C/c1c[nH]c2c1cc(O)cc2	0.524	0.546	0.919	0.35	0.51	0.667	0.002	0.328	0.38	0.413	0.299
Compound_884	CCCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CC)n(n2)Cc1ccccn1)S(=O)(=O)N1CCN(CC1)CC	0.633	0.837	0.079	0.227	0.313	0.629	0.625	0.722	0.373	0.93	0.103
Compound_885	Oc1cccc(c1)c1[nH]c(=N)nc(c1Br)O	0.376	0.365	0.572	0.634	0.41	0.458	0.095	0.736	0.271	0.081	0.578
Compound_886	Oc1ccc(cc1)c1[nH]c(=N)[nH]c(=O)c1Br	0.404	0.311	0.645	0.604	0.778	0.774	0.164	0.669	0.853	0.054	0.528
Compound_887	Oc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F	0.65	0.59	0.988	0.289	0.914	0.839	0.398	0.996	0.067	0.887	0.9
Compound_888	CCCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N	0.607	0.739	0.044	0.251	0.294	0.62	0.089	0.549	0.414	0.065	0.179
Compound_889	COc1cc(O)ccc1/C=C/1\CCCN=C1c1cccnc1	0.619	0.732	0.765	0.609	0.625	0.778	0.004	0.056	0.632	0.006	0.604
Compound_890	OCc1sc2c(c1)C(=Nc1c(N2)cccc1)N1CCN(CC1)C	0.366	0.677	0.174	0.111	0.295	0.561	0.007	0.023	0.555	0.035	0.078
Compound_891	CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(c2c1c(O)ccc2)C	0.722	0.528	0.096	0.37	0.682	0.649	0.063	0.558	0.5	0.345	0.272
Compound_892	COc1ccc(c(c1)O)/C=C/1\CCCN=C1c1cccnc1	0.67	0.732	0.809	0.603	0.625	0.778	0.004	0.072	0.416	0.006	0.604
Compound_893	CCCOc1ccc(cc1c1nc2c(CCC)nn(c2c(=O)[nH]1)C)S(=O)(=O)NCC[C@@H]1CCCN1C	0.65	0.829	0.003	0.263	0.338	0.633	0.331	0.313	0.351	0.861	0.147
Compound_894	Clc1cc(O)c2c(c1NC1=NCCN1)nsn2	0.331	0.525	0.306	0.3	0.551	0.635	0.024	0.017	0.223	0.045	0.461
Compound_895	CCc1sc2c(c1)C(=NCC(=N2)O)c1ccccc1Cl	0.577	0.608	0.482	0.469	0.513	0.624	0.946	0.455	0.775	0.089	0.452
Compound_896	N=C/C(=C(\O)/C)/C(=O)Nc1ccc(cc1)C(F)(F)F	0.572	0.555	0.854	0.651	0.38	0.475	0.457	0.965	0.659	0.047	0.828
Compound_897	O=Cc1n[nH]c(n1)O	0.568	0.244	0.366	0.435	0.476	0.635	0.018	0.443	0.861	0.013	0.383
Compound_898	COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccc(cc1)O)CC(=O)O	0.409	0.665	0.417	0.527	0.82	0.644	0.993	0.869	0.188	0.041	0.739
Compound_899	CCCOc1ccc(cc1c1nc2c(CC)n(nc2c(=O)[nH]1)Cc1ccccn1)S(=O)(=O)N1CCNCC1	0.636	0.722	0.045	0.265	0.319	0.624	0.576	0.766	0.348	0.112	0.108
Compound_900	CN1CCN(CC1)C1=Nc2cc(O)ccc2Nc2c1cc(s2)C	0.378	0.702	0.791	0.286	0.515	0.618	0.008	0.019	0.628	0.101	0.108
Compound_901	O=N(=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O	0.214	0.438	0.651	0.483	0.062	0.43	0.005	0.014	0.034	0.03	0.471
Compound_902	Oc1ccc2c(c1)[nH]c1c2CCn2c1nc1ccccc1c2=O	0.564	0.682	0.848	0.485	0.867	0.693	0.783	0.391	0.411	0.013	0.181
Compound_903	O=c1n2CCc3c(c2nc2c1cccc2)[nH]c1c3c(O)ccc1	0.592	0.682	0.956	0.494	0.818	0.679	0.674	0.534	0.343	0.013	0.181
Compound_904	O=c1n2CCc3c(c2nc2c1cccc2)[nH]c1c3cccc1O	0.607	0.622	0.792	0.475	0.637	0.655	0.896	0.449	0.343	0.048	0.214
Compound_905	CCOc1cc(O)ccc1OC(c1ccccc1)C1CNCCO1	0.127	0.535	0.021	0.301	0.589	0.174	0.106	0.039	0.178	0.134	0.242
Compound_906	Oc1cccc2c1C=Cc1c(N2C(=N)O)cccc1	0.544	0.521	0.7	0.457	0.808	0.499	0.952	0.025	0.711	0.701	0.293
Compound_907	Fc1ccc2c(c1)[nH]c(n2)S(=O)(=O)Cc1nccc(c1)OCC1CC1	0.441	0.503	0.995	0.53	0.463	0.698	0.504	0.864	0.431	0.219	0.272
Compound_908	CCN[C@H](Cc1ccc(c(c1)O)O)C	0.071	0.237	0.047	0.197	0.077	0.041	0.0	0.252	0.08	0.034	0.06
Compound_909	COc1c2c(OC3C2O3)cc2c1ccc(=O)o2	0.663	0.745	0.946	0.632	0.67	0.452	0.656	0.198	0.851	0.204	0.808
Compound_910	CCN(C(=O)c1c(O)c2c(Cl)c(O)ccc2n(c1=O)C)c1ccccc1	0.605	0.779	0.175	0.457	0.94	0.75	0.686	0.171	0.328	0.127	0.411
Compound_911	COc1ccccc1NOC(=O)C	0.295	0.322	0.76	0.657	0.186	0.168	0.889	0.078	0.57	0.563	0.548
Compound_912	OCC(c1cc2nnc(n2nc1OCc1ncnn1CC)c1ccccc1F)(C)C	0.51	0.72	0.295	0.596	0.485	0.673	0.808	0.179	0.568	0.564	0.341
Compound_913	Cc1ccc2c(c1)CC(=O)N2c1c(F)cc(cc1Cl)O	0.565	0.6	0.942	0.61	0.929	0.787	0.989	0.634	0.713	0.496	0.816
Compound_914	OCc1ccc(c(c1)CC(=O)O)Nc1c(F)cccc1Cl	0.13	0.441	0.799	0.373	0.758	0.691	0.988	0.024	0.379	0.014	0.52
Compound_915	CC(Cc1ccc(cc1)[C@H](C(=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C	0.248	0.584	0.003	0.373	0.106	0.304	0.244	0.154	0.203	0.063	0.143
Compound_916	OS(=O)(=O)ONc1ccc(cn1)c1ccccc1	0.402	0.478	0.822	0.519	0.153	0.675	0.022	0.807	0.266	0.13	0.463
Compound_917	NCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C1=NC(=CC1)c1ccc(cc1)C(F)(F)F	0.419	0.425	0.372	0.43	0.887	0.706	0.894	0.67	0.22	0.011	0.334
Compound_918	CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCC(CC1)O)O)(C)C)CC	0.266	0.49	0.047	0.214	0.108	0.845	0.004	0.07	0.275	0.07	0.231
Compound_919	COc1cc2c(cc1OC)OCC1C2(O)C(=O)c2c(O1)c1CC(Oc1cc2)C1(C)CO1	0.544	0.83	0.063	0.552	0.957	0.836	0.811	0.864	0.377	0.458	0.989
Compound_920	COCC(Cn1ccnc1N(=O)=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.308	0.477	0.029	0.425	0.382	0.422	0.006	0.105	0.171	0.069	0.664
Compound_921	CCO[C@H]1O[C@@H]2O[C@]3(C)CCC[C@@H]4[C@@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.962	0.784	0.081	0.555	0.587	0.147	0.963	0.962	0.549	0.97	0.931
Compound_922	OC(=O)[C@H]1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.748	0.72	0.188	0.602	0.891	0.89	0.879	0.652	0.353	0.056	0.89
Compound_923	CN(C(=O)c1c(O)c2cccc(c2n(c1=O)C)O)c1ccccc1	0.552	0.751	0.361	0.432	0.81	0.819	0.629	0.166	0.42	0.149	0.284
Compound_924	OCCOCc1ccc(cc1)OC[C@H](CNC(C)C)O	0.007	0.284	0.007	0.13	0.104	0.021	0.005	0.007	0.163	0.049	0.008
Compound_925	OCCOCc1ccc(cc1)OC[C@@H](CNC(C)C)O	0.007	0.284	0.007	0.13	0.104	0.021	0.005	0.007	0.163	0.049	0.008
Compound_926	COc1ccc2c(c1)c(CC(=NC(Cc1ccccc1)O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.282	0.695	0.869	0.44	0.921	0.954	0.992	0.14	0.327	0.815	0.686
Compound_927	CCCCC(Oc1ccc2c(c1)oc(=O)cc2)O	0.735	0.573	0.907	0.637	0.248	0.608	0.224	0.534	0.725	0.763	0.341
Compound_928	OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1\C(=Nc2c1cc(O)cc2)O	0.666	0.642	0.031	0.271	0.805	0.654	0.948	0.007	0.343	0.079	0.339
Compound_929	CC[C@@]1(OC2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1	0.88	0.729	0.008	0.475	0.78	0.671	0.059	0.153	0.368	0.1	0.897
Compound_930	COc1cc(OS(=O)(=O)O)c(cc1O)C(=O)C	0.745	0.369	0.147	0.313	0.602	0.499	0.717	0.06	0.294	0.257	0.186
Compound_931	O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)Oc1c(O)ccc2c1cc1ccc3c4c1c2c1ccccc1c4ccc3	0.352	0.66	0.058	0.439	0.952	0.691	0.471	0.651	0.337	0.392	0.601
Compound_932	OCCCOc1ccc(c(c1Cl)Cl)C(=O)c1ccc(s1)O	0.457	0.567	0.313	0.664	0.806	0.852	0.742	0.692	0.369	0.899	0.645
Compound_933	OCC1=C(C)C(=O)C(=C(C1=O)C)[C@H](c1ccccc1)CCCCCC(=O)O	0.589	0.675	0.249	0.227	0.383	0.447	0.492	0.866	0.086	0.422	0.404
Compound_934	OC(=O)Cc1ccccc1Nc1c(Cl)ccc(c1Cl)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.279	0.552	0.111	0.572	0.523	0.647	0.244	0.035	0.404	0.22	0.538
Compound_935	O=NN(C(CC(C(=O)c1cccnc1)O)O)C	0.025	0.295	0.04	0.48	0.014	0.135	0.016	0.007	0.035	0.044	0.214
Compound_936	OC(=O)[C@H]1OC(Oc2cc(O)c(c(c2Cl)CC(=NC(=N)N)O)Cl)[C@@H]([C@H]([C@@H]1O)O)O	0.35	0.341	0.03	0.443	0.479	0.533	0.247	0.079	0.377	0.139	0.117
Compound_937	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CC(CC2O)O	0.476	0.559	0.544	0.072	0.291	0.681	0.02	0.085	0.418	0.325	0.298
Compound_938	O[C@H]1C=C[C@@]23[C@H](C1)Oc1c3c(ccc1OS(=O)(=O)O)CN(CC2)C	0.68	0.689	0.511	0.162	0.307	0.589	0.009	0.514	0.042	0.439	0.539
Compound_939	COc1c(O)cc(cc1OC)C(=O)c1c[nH]c2c1ccc(c2)O	0.495	0.8	0.868	0.681	0.722	0.654	0.47	0.421	0.776	0.048	0.974
Compound_940	OC(=O)[C@H]1OC(Oc2cc(C)c(c(c2)C)N)[C@@H]([C@H]([C@@H]1O)O)O	0.134	0.655	0.146	0.461	0.235	0.294	0.189	0.054	0.129	0.032	0.32
Compound_941	OC(=O)CC=CCC1C2CC(C(C1NS(=O)(=O)c1ccccc1)C2)O	0.374	0.514	0.015	0.2	0.331	0.494	0.003	0.257	0.317	0.289	0.154
Compound_942	OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)n(C)c2c3C(=O)C(CC2)Cn2ccnc2C)[C@@H]([C@H]([C@@H]1O)O)O	0.533	0.712	0.026	0.453	0.5	0.65	0.513	0.189	0.185	0.018	0.721
Compound_943	OC(=O)Cc1ccccc1Nc1c(Cl)cc(cc1Cl)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.2	0.542	0.039	0.508	0.787	0.668	0.167	0.046	0.18	0.22	0.445
Compound_944	CC(COC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.108	0.232	0.003	0.332	0.073	0.124	0.039	0.081	0.181	0.155	0.008
Compound_945	CC(=O)ON(C1C=CC2=C3C1C=CC=C3C(=O)c1c2cccc1)C(=O)C	0.685	0.79	0.968	0.605	0.178	0.774	0.334	0.973	0.511	0.991	0.65
Compound_946	CCCc1ccc2c(n1)C1OC1C=C2	0.698	0.501	0.406	0.617	0.474	0.572	0.108	0.903	0.578	0.291	0.582
Compound_947	O[C@@H]1[C@@H](O)C(Oc2ccc3c(c2)ccc(c3)[C@@H](C(=O)O)C)O[C@@H]([C@H]1O)C(=O)O	0.105	0.628	0.005	0.427	0.612	0.658	0.8	0.359	0.407	0.048	0.528
Compound_948	Cc1ccnc2c1N=C(O)c1c(N2C2CC2O)nccc1	0.452	0.614	0.026	0.366	0.265	0.402	0.008	0.005	0.401	0.006	0.135
Compound_949	CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)O	0.941	0.861	0.008	0.778	0.792	0.62	0.126	0.988	0.165	0.763	0.183
Compound_950	CCCCCc1cc(O)c2c(c1)OC([C@@H]1[C@@H]2CC(=CC1)C=O)(C)C	0.595	0.602	0.42	0.615	0.78	0.842	0.751	0.982	0.658	0.994	0.826
Compound_951	[O-]Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N	0.848	0.679	0.931	0.602	0.813	0.885	0.999	0.906	0.856	0.995	0.974
Compound_952	ONc1c(F)c(C)c(c2c1c(=O)cc(o2)c1ccc(c(c1)F)N)F	0.772	0.703	0.994	0.741	0.915	0.688	0.993	0.998	0.464	0.424	0.581
Compound_953	Oc1ccc(o1)Cn1c(=O)n(C)c(=O)c2c1nc(n2C)C	0.393	0.558	0.661	0.356	0.204	0.481	0.008	0.068	0.475	0.188	0.328
Compound_954	OC(=O)[C@H]1OC(OC2(C)C(=O)C[C@]3([C@@H]2C3)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.287	0.652	0.005	0.35	0.592	0.623	0.153	0.224	0.282	0.07	0.83
Compound_955	OC(=O)C(c1ccc2c(c1)CC(=O)c1c(S2=O)cccc1)C	0.199	0.505	0.323	0.316	0.655	0.428	0.496	0.344	0.061	0.923	0.3
Compound_956	OC(=O)CN=C(C(N=C(CCC(C(=O)O)N)O)CSC1(Cl)C=CC(C=C1N(=O)=O)N(=O)=O)O	0.409	0.354	0.005	0.335	0.913	0.399	0.013	0.546	0.149	0.387	0.375
Compound_957	OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)c2C(=O)C(CCc2n3C)Cn2ccnc2C)[C@@H]([C@H]([C@@H]1O)O)O	0.549	0.712	0.028	0.449	0.408	0.646	0.561	0.125	0.271	0.018	0.721
Compound_958	NCCC[C@](c1cccc(c1)OC)(C(C)C)C#N	0.116	0.232	0.052	0.484	0.166	0.147	0.001	0.086	0.322	0.001	0.082
Compound_959	OC(=O)[C@H]1OC(Oc2cc3N=C(O)O[C@](c3cc2Cl)(C#CC2CC2)C(F)(F)F)[C@@H]([C@H]([C@@H]1O)O)O	0.676	0.499	0.157	0.525	0.835	0.665	0.84	0.124	0.332	0.773	0.766
Compound_960	O=C[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.338	0.573	0.066	0.596	0.793	0.842	0.474	0.702	0.433	0.123	0.483
Compound_961	COc1ccc2c(c1)oc(c(c2=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccccc1	0.718	0.774	0.249	0.617	0.773	0.711	0.868	0.857	0.132	0.06	0.824
Compound_962	OC(=O)/C=C/c1ccc(c(c1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.476	0.444	0.035	0.507	0.55	0.144	0.106	0.416	0.199	0.399	0.676
Compound_963	COc1cc2oc(=O)cc(c2cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccccc1	0.605	0.793	0.059	0.556	0.858	0.464	0.349	0.756	0.207	0.057	0.886
Compound_964	ONc1ccc(cc1F)c1cc(=O)c2c(o1)c(F)c(c(c2N)F)C	0.808	0.703	0.987	0.751	0.915	0.688	0.993	0.997	0.464	0.424	0.581
Compound_965	CC1=CCC(CC1OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C(=C)C	0.609	0.623	0.029	0.423	0.257	0.354	0.323	0.757	0.222	0.797	0.367
Compound_966	ONc1ccc2c(c1)c1cc3=CCC(=O)C=c3cc1cc2	0.567	0.733	0.879	0.538	0.933	0.993	0.998	0.979	0.733	0.943	0.714
Compound_967	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(c(c1)O)O	0.933	0.466	0.216	0.879	0.825	0.652	0.76	0.87	0.351	0.935	0.897
Compound_968	COc1cc(OC2OC(C(=O)O)C(C(C2O)O)O)c2c(c1)occ(c2=O)c1ccc(cc1)O	0.698	0.806	0.138	0.577	0.811	0.708	0.784	0.8	0.357	0.057	0.594
Compound_969	CN1CCN(CC1)CCCc1cc2c([nH]1)ccc(c2)n1cnnc1	0.137	0.577	0.171	0.262	0.334	0.717	0.875	0.288	0.653	0.015	0.061
Compound_970	O=C1C(CCc2c1c1cc(ccc1n2C)OS(=O)(=O)O)Cn1ccnc1C	0.449	0.717	0.261	0.333	0.519	0.696	0.874	0.069	0.307	0.098	0.524
Compound_971	CCC1(O)C(=O)OCC1Cc1cncn1C	0.475	0.543	0.017	0.459	0.079	0.415	0.026	0.021	0.435	0.003	0.563
Compound_972	O[C@H]1OCCN([C@H]1c1ccc(cc1)F)Cc1[nH]nc(n1)O	0.183	0.51	0.406	0.26	0.387	0.644	0.001	0.042	0.638	0.021	0.374
Compound_973	CC/C(=C(\c1ccc(cc1)OS(=O)(=O)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1	0.189	0.543	0.002	0.636	0.852	0.852	0.033	0.22	0.095	0.557	0.478
Compound_974	C[C@@H]1CC[C@H]([C@@H](C1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C(C)C	0.242	0.58	0.005	0.328	0.201	0.198	0.393	0.155	0.313	0.841	0.344
Compound_975	O[C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)C(=O)O)OC1Cc2ccccc2N(c2c1cccc2)C(=N)O	0.385	0.605	0.018	0.358	0.671	0.632	0.188	0.002	0.05	0.061	0.37
Compound_976	O=NN1CCCCC1c1ccc[n+](c1)C1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.48	0.481	0.006	0.381	0.048	0.439	0.006	0.29	0.16	0.17	0.31
Compound_977	COc1cc(cc(c1O)OC)c1oc2cc(OC3O[C@H](C(=O)O)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O)O	0.659	0.815	0.094	0.532	0.809	0.387	0.389	0.776	0.371	0.042	0.857
Compound_978	O=C(Cc1cccc2c1oc1c(C)c(C)ccc1c2=O)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.753	0.713	0.093	0.469	0.385	0.689	0.961	0.447	0.167	0.293	0.487
Compound_979	COc1ccc(cc1CN[C@H]1C2CCN([C@@H]1C(c1ccccc1)c1ccccc1)CC2)C(=C)C	0.43	0.595	0.2	0.21	0.118	0.927	0.16	0.115	0.525	0.003	0.47
Compound_980	O[C@@H]1[C@@H](O)C(Oc2ccc(cc2)C(=O)C)O[C@@H]([C@H]1O)C(=O)O	0.282	0.511	0.028	0.461	0.266	0.526	0.198	0.083	0.229	0.097	0.169
Compound_981	OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccn(=O)c2)C)C1)C	0.796	0.926	0.044	0.692	0.494	0.548	0.011	0.971	0.198	0.796	0.74
Compound_982	CNc1cn(n(c1=O)c1ccccc1)C	0.113	0.323	0.247	0.289	0.131	0.101	0.003	0.011	0.624	0.032	0.162
Compound_983	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O[C@@H]3O[C@H](C(=O)O)[C@H]([C@@H]([C@H]3O)O)O)[C@@H](Cc2c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O	0.427	0.669	0.08	0.504	0.971	0.656	0.316	0.134	0.275	0.004	0.721
Compound_984	CCC(=O)C1(CCN(CC1)C)c1cccc(c1)OC1OC(C(=O)O)C(C(C1O)O)O	0.147	0.602	0.006	0.252	0.117	0.295	0.005	0.211	0.121	0.069	0.74
Compound_985	O[NH+]c1cc2c(c3c1cccc3)ccc1c2cccc1	0.974	0.779	0.981	0.602	0.955	0.979	1.0	0.786	0.746	0.994	0.752
Compound_986	COC(=O)[C@@H]1C(O)C2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)CCC(=O)O4)C	0.936	0.99	0.036	0.911	0.996	0.925	0.128	0.972	0.468	0.876	0.607
Compound_987	CCC1C(C)N(CC1(c1ccccc1)c1ccccc1)C	0.128	0.653	0.025	0.157	0.09	0.512	0.13	0.005	0.334	0.686	0.39
Compound_988	Fc1ccc(cc1)c1nc([nH]c1c1cc[nH]c(=N)c1)S(=O)C	0.604	0.623	0.959	0.562	0.438	0.746	0.049	0.783	0.689	0.06	0.459
Compound_989	COC1CC(OC2C(C)C=CC=C3CCC4C3(O)C(C=C(C4O)C)C(=O)OC3CCC(C/C=C\2/C)OC2(CCC(CO2)C(C)C)C3)OC(C1(O)OC1CC(OC)C(C(O1)C)O)C	0.738	0.97	0.025	0.518	0.983	0.883	0.566	0.972	0.613	0.515	0.276
Compound_990	OC(=O)CCC1C2CC(C(C1NS(=O)(=O)c1ccccc1)C2)O	0.238	0.414	0.016	0.122	0.32	0.513	0.002	0.029	0.303	0.265	0.134
Compound_991	OC(=O)[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O	0.605	0.745	0.024	0.217	0.762	0.384	0.674	0.519	0.2	0.992	0.065
Compound_992	O[C@@H]1[C@@H](O)[C@H](Oc2cccc(c2)c2cc(=O)c3c(o2)cccc3)O[C@@H]([C@H]1O)C(=O)O	0.539	0.72	0.266	0.625	0.527	0.443	0.742	0.615	0.162	0.056	0.89
Compound_993	ONc1n([C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)c2c([n+]1C)cc(cn2)c1ccccc1	0.665	0.672	0.55	0.57	0.26	0.561	0.558	0.299	0.293	0.348	0.518
Compound_994	COc1cc(cc(c1O)OC)c1oc2cc(O)cc(c2c(=O)c1OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.759	0.857	0.194	0.527	0.786	0.368	0.347	0.842	0.371	0.04	0.648
Compound_995	CCCCCc1cc(O)c2c(c1)OC(C1[C@H]2C=C(C)C[C@@H]1O)(C)C	0.624	0.698	0.481	0.621	0.818	0.516	0.27	0.922	0.766	0.995	0.916
Compound_996	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)C[C@H]1O)(C)C	0.624	0.698	0.481	0.621	0.818	0.516	0.27	0.922	0.766	0.995	0.916
Compound_997	N#CC1=C(Cl)C2C(C=C1Cl)O2	0.9	0.501	0.527	0.719	0.68	0.421	0.903	0.997	0.688	0.991	0.979
Compound_998	CNCC[C@H](c1ccccc1)Oc1ccc(cc1C)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.146	0.651	0.003	0.348	0.334	0.302	0.187	0.025	0.101	0.009	0.033
Compound_999	CNC[C@@H](c1cccc(c1)OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.132	0.519	0.003	0.257	0.043	0.057	0.004	0.008	0.047	0.022	0.004
Compound_1000	OCCN=c1[nH]c2c(cccc2c2c1ccn2c1ccc(cc1C)OC)OC(F)(F)F	0.482	0.576	0.851	0.572	0.853	0.687	0.976	0.579	0.241	0.003	0.475