Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O=C(Nc1ccc(cc1C)n1cncc1)/C=C/c1ccccc1	0.246	0.707	0.783	0.639	0.288	0.722	0.941	0.214	0.561	0.83	0.5
Compound_2	CCOCc1ccc(cc1Cc1ncn[nH]1)c1ccc(cc1)OC	0.204	0.672	0.996	0.752	0.305	0.72	0.527	0.164	0.431	0.112	0.834
Compound_3	COc1cccc(c1)NC1=C(C(=O)C1=O)Nc1cccc(c1)OC	0.454	0.638	0.841	0.627	0.78	0.392	0.879	0.697	0.225	0.461	0.846
Compound_4	O=C(C1CCN(CC1)C(=O)C)ON=C(c1ccc(cc1)Cl)N	0.26	0.349	0.064	0.529	0.059	0.252	0.022	0.383	0.346	0.094	0.08
Compound_5	C=CCNC(=S)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F	0.155	0.508	0.582	0.491	0.097	0.645	0.117	0.946	0.617	0.437	0.241
Compound_6	CCOC(=O)CS/C(=C(\C(=O)OCC)/C#N)/Nc1ccccc1C(F)(F)F	0.537	0.627	0.934	0.665	0.935	0.357	0.698	0.973	0.435	0.528	0.761
Compound_7	COc1ccccc1N1CCN(CC1)C(=O)c1c(C)noc1C	0.338	0.72	0.149	0.437	0.229	0.583	0.006	0.107	0.463	0.179	0.211
Compound_8	CCOC(=O)c1cc(n(c1C)N(c1nccc(c1)C(F)(F)F)C)C	0.404	0.639	0.98	0.595	0.258	0.473	0.857	0.883	0.439	0.198	0.762
Compound_9	CSc1nn(c(c1C#N)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.311	0.514	0.85	0.624	0.691	0.648	0.863	0.808	0.687	0.567	0.708
Compound_10	Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)N1CCOCC1	0.253	0.523	0.464	0.358	0.266	0.713	0.158	0.584	0.383	0.109	0.124
Compound_11	N#C/C(=N\Nc1ccc(cc1)Cl)/S(=O)(=O)c1cscc1	0.735	0.322	0.584	0.517	0.624	0.824	0.845	0.525	0.584	0.904	0.546
Compound_12	NC(=S)c1cnc(nc1N)c1ccncc1	0.176	0.788	0.531	0.698	0.177	0.688	0.011	0.633	0.943	0.49	0.443
Compound_13	CCOC(=O)c1c[nH]c2c(c1=O)sc(c2c1ccccc1)C(F)(F)F	0.619	0.662	0.924	0.612	0.709	0.648	0.976	0.771	0.481	0.004	0.932
Compound_14	O=C(c1sc(c(c1)c1ccccc1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F	0.716	0.65	0.979	0.82	0.762	0.843	0.996	0.961	0.481	0.681	0.64
Compound_15	NC(=NOC(=O)c1csc(c1)N(=O)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.496	0.622	0.828	0.54	0.548	0.564	0.433	0.702	0.609	0.214	0.512
Compound_16	N#Cc1c(snc1N1CCCC1)c1ccccc1	0.304	0.623	0.117	0.613	0.333	0.641	0.043	0.362	0.762	0.377	0.393
Compound_17	CC(c1nnc(o1)c1sc2c(c1)scc2)C	0.451	0.562	0.738	0.437	0.677	0.657	0.858	0.646	0.538	0.673	0.73
Compound_18	O/N=C/c1ccc(s1)c1cccs1	0.62	0.662	0.952	0.506	0.347	0.87	0.87	0.843	0.752	0.905	0.889
Compound_19	Fc1cccc(c1NS(=O)(=O)c1ccc(c(c1)Cl)Cl)F	0.363	0.352	0.224	0.333	0.684	0.7	0.581	0.875	0.399	0.985	0.678
Compound_20	COC(=O)c1sccc1c1ccc(o1)c1ccn[nH]1	0.423	0.608	0.892	0.529	0.694	0.653	0.7	0.737	0.573	0.031	0.779
Compound_21	c1sc2c(c1)c1nc(ncc1CS2)C12CC3CC(C2)CC(C1)C3	0.6	0.57	0.291	0.514	0.643	0.741	0.617	0.382	0.385	0.439	0.354
Compound_22	O=C(NC(=O)c1cc(F)c(c(c1)F)N(C)C)NCc1cccnc1	0.278	0.489	0.824	0.373	0.359	0.632	0.016	0.142	0.421	0.006	0.201
Compound_23	O=C(NC(=O)c1csnn1)Nc1ncccn1	0.136	0.38	0.399	0.282	0.234	0.619	0.001	0.37	0.462	0.246	0.468
Compound_24	COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc(c(o1)C)C(=O)OC	0.152	0.616	0.163	0.534	0.162	0.563	0.083	0.075	0.44	0.369	0.226
Compound_25	O=C(c1cc(n(n1)C)C)NCc1cccn1C	0.488	0.478	0.115	0.339	0.244	0.469	0.008	0.188	0.846	0.034	0.307
Compound_26	O=C(c1csc(n1)c1ccccc1)N(Cc1ccccn1)Cc1ccccn1	0.437	0.622	0.872	0.733	0.436	0.717	0.947	0.983	0.672	0.085	0.275
Compound_27	Fc1ccc(cc1)C1CCCN1S(=O)(=O)c1cccc2c1non2	0.451	0.426	0.78	0.579	0.641	0.594	0.156	0.749	0.396	0.082	0.428
Compound_28	OCCn1[nH]c(=O)c2c(c1=O)cccc2	0.363	0.372	0.559	0.432	0.105	0.565	0.651	0.141	0.253	0.0	0.073
Compound_29	Clc1ccc(cc1)S(=O)(=O)Oc1nc(n(n1)c1ccccc1)c1ccc(cc1)C(C)(C)C	0.569	0.456	0.838	0.701	0.742	0.774	0.986	0.59	0.414	0.699	0.407
Compound_30	CN(C=C1NC(=S)N(C1=O)CNc1ccc(cc1)C(=O)C)C	0.537	0.448	0.078	0.324	0.164	0.821	0.191	0.706	0.435	0.25	0.339
Compound_31	O=C(CSCSCC(=O)NCc1ccccc1)NCc1ccccc1	0.089	0.383	0.575	0.33	0.393	0.764	0.749	0.031	0.42	0.066	0.652
Compound_32	CSC(=NC(=O)c1ccc(cc1)OC)Nc1c(C)cccc1C	0.25	0.733	0.876	0.611	0.267	0.945	0.536	0.542	0.453	0.873	0.232
Compound_33	O=N(=O)c1cc(ccc1N1CCCCCC1)N(=O)=O	0.904	0.27	0.182	0.548	0.712	0.309	0.956	0.986	0.556	0.565	0.636
Compound_34	N#CCCSc1ccccc1/N=C/c1cc(Cl)cc(c1O)Cl	0.383	0.557	0.37	0.692	0.851	0.599	0.223	0.978	0.538	0.908	0.99
Compound_35	COc1cc(Cl)c(cc1NC(=S)N)OC	0.719	0.395	0.746	0.593	0.514	0.56	0.973	0.074	0.753	0.916	0.552
Compound_36	S=C(Nc1cccc(c1)C)Nc1ccccn1	0.249	0.71	0.214	0.451	0.026	0.737	0.026	0.059	0.868	0.74	0.193
Compound_37	CCCc1[nH]c(SCc2ccc(cc2)F)nc(=O)c1CC=C	0.567	0.396	0.219	0.567	0.284	0.239	0.496	0.439	0.364	0.161	0.59
Compound_38	O=C(CCc1c(C)nc2n(c1C)nc(n2)C(F)(F)F)OCC(=O)NCCc1ccccc1	0.411	0.754	0.127	0.325	0.27	0.662	0.784	0.842	0.4	0.011	0.477
Compound_39	Clc1ccc(cc1)Oc1ccc(cc1)Nc1ncnc(n1)N	0.907	0.688	0.967	0.742	0.683	0.903	0.335	0.989	0.737	0.701	0.816
Compound_40	O=c1nc(C)[nH]c(c1)c1ccccc1	0.205	0.533	0.565	0.575	0.114	0.371	0.327	0.317	0.855	0.011	0.172
Compound_41	Cc1ccc(cc1)C1CC(=Nc2c(S1)cccc2)c1ccccc1	0.448	0.579	0.573	0.523	0.934	0.693	0.995	0.424	0.492	0.342	0.731
Compound_42	O=C(Nc1ccc2c(c1)OCCO2)CSc1ccccn1	0.275	0.53	0.885	0.624	0.44	0.648	0.069	0.458	0.428	0.245	0.693
Compound_43	O=C(Cc1ccccc1)N/N=C/c1ccc(cc1)OCc1ccc(cc1)F	0.46	0.692	0.891	0.546	0.638	0.936	0.363	0.255	0.408	0.335	0.335
Compound_44	O=S(c1ccccc1)Cc1ccccc1C(=O)O	0.346	0.415	0.402	0.371	0.428	0.461	0.984	0.137	0.511	0.458	0.373
Compound_45	O=C(c1ccco1)Nc1cccnc1Oc1ccc(cc1)C(C)(C)C	0.425	0.551	0.731	0.538	0.071	0.441	0.377	0.866	0.511	0.064	0.594
Compound_46	COc1ccccc1N1CCN(CC1)CC(N(C(=O)C1CCCCC1)c1ccccn1)C	0.116	0.646	0.321	0.234	0.11	0.429	0.005	0.726	0.461	0.035	0.088
Compound_47	CC(=O)c1ccc(cc1)NS(=O)(=O)C	0.621	0.327	0.742	0.588	0.089	0.88	0.98	0.074	0.427	0.087	0.594
Compound_48	CCNc1nc2cc(Cl)ccc2nc1NCC	0.148	0.57	0.595	0.459	0.466	0.632	0.015	0.041	0.287	0.284	0.252
Compound_49	Clc1ccc(cc1)Sc1nc2c(C)ccc(c2cc1C)F	0.673	0.436	0.965	0.725	0.81	0.772	0.995	0.957	0.708	0.907	0.789
Compound_50	Nc1nc(N)n(c(=Nc2ccccc2)n1)c1ccccc1	0.627	0.683	0.647	0.557	0.743	0.962	0.602	0.585	0.753	0.356	0.594
Compound_51	S=C1NCN(CN1)CCCCc1ccccc1	0.065	0.28	0.007	0.067	0.011	0.683	0.0	0.026	0.817	0.364	0.159
Compound_52	COc1cc2cc(nc(c2cc1OC)C)OS(=O)(=O)c1cc(ccc1C)N(=O)=O	0.76	0.661	0.925	0.663	0.695	0.713	0.691	0.948	0.429	0.772	0.51
Compound_53	COc1ccccc1C(=O)NNc1nccc(c1)C(F)(F)F	0.301	0.487	0.94	0.591	0.193	0.641	0.499	0.403	0.486	0.138	0.291
Compound_54	NC(=O)C1=CNCCC1C(F)(F)F	0.073	0.543	0.005	0.363	0.12	0.02	0.046	0.038	0.371	0.002	0.414
Compound_55	Cc1nc(N/N=C/c2c(F)cccc2Cl)nc(n1)N	0.677	0.735	0.721	0.556	0.432	0.656	0.005	0.777	0.538	0.023	0.299
Compound_56	O=C(Nc1ccc(cc1NC(=O)C(Cl)(Cl)Cl)C(C)(C)C)CN1CCOCC1	0.433	0.481	0.121	0.295	0.866	0.29	0.138	0.618	0.355	0.73	0.516
Compound_57	S=c1nc([nH]c(c1Cl)C)c1ccccn1	0.342	0.645	0.486	0.491	0.088	0.525	0.035	0.127	0.884	0.067	0.302
Compound_58	S=C(NCc1ccco1)N/N=C/c1ccc(o1)c1cccc(c1)N(=O)=O	0.303	0.523	1.0	0.684	0.45	0.62	0.55	0.927	0.403	0.729	0.79
Compound_59	O=N(=O)/C=C/c1c([nH]c2c1cccc2)c1ccc2c(c1)cccc2	0.591	0.702	0.979	0.565	0.883	0.759	0.996	0.938	0.969	0.876	0.934
Compound_60	S=C(NCC1CCCO1)N/N=C/c1cccnc1	0.164	0.419	0.364	0.365	0.039	0.18	0.001	0.01	0.313	0.07	0.159
Compound_61	COc1ccc(cc1)NC(=S)N/N=C/c1ccc(cc1)Cl	0.655	0.64	0.938	0.535	0.436	0.683	0.171	0.178	0.212	0.975	0.536
Compound_62	Clc1ccc(c(c1)S(=O)(=O)N)I	0.252	0.402	0.034	0.234	0.626	0.627	0.616	0.007	0.337	0.643	0.452
Compound_63	O=C1CSc2n1c1ccccc1n2	0.481	0.595	0.482	0.523	0.312	0.703	0.337	0.197	0.54	0.148	0.473
Compound_64	COc1ccc(cc1NCC/N=C/c1cccc(c1O)OC)Cl	0.386	0.511	0.878	0.467	0.335	0.236	0.104	0.326	0.458	0.033	0.387
Compound_65	N#C/C(=C/c1ccncc1)/C(=O)N	0.215	0.36	0.043	0.377	0.051	0.052	0.002	0.033	0.528	0.221	0.625
Compound_66	COc1ccc(cc1NC(=S)NCCO)OC	0.264	0.409	0.314	0.418	0.24	0.251	0.001	0.208	0.421	0.185	0.122
Compound_67	NC1=NC(N(C(=N1)N)c1c(Cl)cccc1Cl)(C)C	0.578	0.482	0.095	0.631	0.5	0.7	0.716	0.107	0.334	0.046	0.092
Compound_68	CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2OC(=O)[C@]23[C@@H](C1)O2)C)O	0.872	0.728	0.015	0.479	0.917	0.681	0.488	0.93	0.381	0.381	0.767
Compound_69	O[C@H]1C[C@@H]2[C@]([C@@]1(C)O)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1c(C2)[nH]nc1	0.601	0.89	0.011	0.505	0.893	0.682	0.077	0.083	0.318	0.224	0.811
Compound_70	OCC([C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)O	0.939	1.0	0.035	0.888	0.957	0.932	0.255	0.065	0.146	0.017	0.052
Compound_71	CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C	0.439	0.603	0.027	0.225	0.614	0.195	0.004	0.011	0.01	0.066	0.071
Compound_72	CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(O)C)C	0.049	0.651	0.018	0.019	0.839	0.226	0.001	0.01	0.208	0.009	0.157
Compound_73	OCC([C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C)O	0.939	1.0	0.013	0.838	0.957	0.932	0.255	0.066	0.153	0.016	0.126
Compound_74	CCCc1ccccc1CC(N)C	0.09	0.194	0.46	0.41	0.008	0.056	0.001	0.014	0.709	0.694	0.094
Compound_75	OC(=O)c1cccc(c1C)C(c1cnc[nH]1)C	0.167	0.495	0.262	0.281	0.165	0.773	0.002	0.025	0.637	0.002	0.549
Compound_76	CCCCN1CCCCC1C(=O)Nc1c(C)ccc(c1C)O	0.122	0.414	0.098	0.272	0.331	0.113	0.002	0.033	0.232	0.533	0.069
Compound_77	CN(CC/C=C\1/c2ccccc2C=Cc2c1cc(O)cc2)C	0.655	0.522	0.05	0.25	0.709	0.689	0.016	0.684	0.308	0.129	0.123
Compound_78	CCN(CC(=O)Nc1c(C)ccc(c1C)O)CC	0.074	0.431	0.207	0.287	0.348	0.088	0.001	0.021	0.333	0.005	0.126
Compound_79	OCc1cccc(c1C)Cc1cnc[nH]1	0.186	0.526	0.483	0.366	0.111	0.779	0.001	0.08	0.474	0.003	0.738
Compound_80	CN1CCCCC1C(=O)Nc1c(C)ccc(c1C)O	0.104	0.443	0.03	0.236	0.261	0.096	0.001	0.015	0.252	0.047	0.055
Compound_81	OC(=O)[C@@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C	0.174	0.504	0.203	0.337	0.728	0.698	0.997	0.1	0.268	0.178	0.874
Compound_82	CN(CCCN1c2ccccc2Sc2c1ccc(c2)O)C	0.073	0.65	0.035	0.281	0.958	0.579	0.004	0.123	0.245	0.058	0.484
Compound_83	NC1=NC(CO1)c1ccccc1	0.198	0.35	0.295	0.422	0.008	0.393	0.016	0.038	0.432	0.005	0.286
Compound_84	CCCN1CCCCC1C(=O)Nc1c(C)ccc(c1C)O	0.122	0.402	0.114	0.268	0.331	0.113	0.002	0.038	0.262	0.474	0.079
Compound_85	C=CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1	0.777	0.578	0.341	0.647	0.417	0.833	0.569	0.678	0.375	0.888	0.621
Compound_86	CN([C@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@@]1(C)O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C	0.536	0.719	0.042	0.111	0.376	0.593	0.002	0.049	0.248	0.19	0.158
Compound_87	CCN(CC(=O)Nc1c(C)cc(cc1C)O)CC	0.048	0.441	0.144	0.212	0.214	0.036	0.001	0.065	0.346	0.004	0.09
Compound_88	OCc1cnc(s1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C	0.315	0.516	0.126	0.198	0.205	0.673	0.027	0.03	0.328	0.05	0.106
Compound_89	OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C	0.174	0.504	0.203	0.337	0.728	0.698	0.997	0.1	0.268	0.178	0.874
Compound_90	CCCCCCCCC/C=C/1\CCC(C1=O)CN(C)C	0.876	0.39	0.096	0.254	0.075	0.445	0.144	0.158	0.463	0.93	0.754
Compound_91	O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ncc(s1)C(=O)O	0.319	0.51	0.082	0.263	0.241	0.648	0.02	0.314	0.373	0.082	0.085
Compound_92	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C	0.748	0.99	0.004	0.714	0.817	0.839	0.438	0.626	0.147	0.472	0.181
Compound_93	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OS(=O)(=O)O)C)C	0.992	0.98	0.021	0.485	0.897	0.72	0.014	0.815	0.069	0.959	0.368
Compound_94	OC1CCC(CC1)NCc1cc(Br)cc(c1O)Br	0.296	0.417	0.019	0.307	0.677	0.798	0.012	0.382	0.346	0.158	0.348
Compound_95	COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC	0.163	0.623	0.073	0.403	0.193	0.235	0.144	0.214	0.675	0.023	0.449
Compound_96	OC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1	0.728	0.461	0.001	0.308	0.743	0.909	0.026	0.044	0.363	0.066	0.223
Compound_97	OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)CSc1ccncc1	0.136	0.199	0.138	0.159	0.394	0.296	0.018	0.524	0.074	0.581	0.195
Compound_98	OC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl	0.254	0.509	0.539	0.319	0.62	0.638	0.997	0.01	0.397	0.009	0.291
Compound_99	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C	0.748	0.99	0.004	0.714	0.817	0.839	0.438	0.626	0.147	0.472	0.181
Compound_100	Cc1[nH]c2c(n1)n(Cc1ccco1)c(=O)n(c2=O)C	0.399	0.543	0.93	0.37	0.236	0.666	0.002	0.044	0.059	0.002	0.314
Compound_101	Fc1ccc(cc1)C(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_102	Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(cn1)O	0.065	0.576	0.469	0.236	0.282	0.568	0.007	0.595	0.261	0.28	0.161
Compound_103	CCCNC(COC(=O)c1ccccc1)(C)C	0.017	0.291	0.079	0.259	0.007	0.025	0.001	0.002	0.058	0.031	0.036
Compound_104	OCCCCCn1nc(c2c1cccc2)C(=O)N[C@H](C(=O)OC)C(C)C	0.547	0.734	0.202	0.466	0.4	0.429	0.504	0.733	0.328	0.474	0.442
Compound_105	FCCCCCn1cc(c2c1nccc2)C(=O)NC(c1ccccc1)(C)C	0.473	0.66	0.154	0.465	0.14	0.71	0.41	0.952	0.393	0.064	0.186
Compound_106	O=C(c1nn(c2c1cccc2)Cc1ccccc1)NC(C(C)(C)C)C(=O)N	0.538	0.613	0.164	0.44	0.702	0.694	0.936	0.167	0.612	0.111	0.787
Compound_107	CC([C@@H](C(=O)N)NC(=O)c1cn(c2c1cccc2)Cc1ccccc1)C	0.382	0.581	0.208	0.4	0.241	0.304	0.917	0.07	0.345	0.182	0.769
Compound_108	O=C(c1nn(c2c1cccc2)CC1CCOCC1)NC1C2CC3CC1CC(C2)C3	0.594	0.741	0.771	0.495	0.765	0.758	0.39	0.727	0.428	0.196	0.211
Compound_109	CCCC(C(=O)c1ccc(c(c1)C)C)NCC	0.08	0.228	0.045	0.213	0.004	0.045	0.0	0.237	0.462	0.795	0.05
Compound_110	CCCOC(=O)C(c1ccccc1)C1CCCCN1	0.065	0.342	0.056	0.37	0.01	0.015	0.001	0.007	0.176	0.061	0.027
Compound_111	CCCC(=O)N(c1ccccc1F)C1CCN(CC1)CCc1ccccc1	0.505	0.553	0.228	0.265	0.193	0.712	0.002	0.052	0.564	0.62	0.087
Compound_112	OC(=O)C1(C)OC1c1ccccc1	0.27	0.205	0.156	0.277	0.249	0.068	0.384	0.013	0.134	0.284	0.137
Compound_113	FCCCCCn1cc(c2c1cccc2)C(=O)N1CCN(CC1)Cc1ccccc1	0.417	0.69	0.734	0.3	0.263	0.355	0.413	0.652	0.427	0.452	0.334
Compound_114	O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.748	0.96	0.004	0.705	0.817	0.839	0.438	0.739	0.147	0.559	0.149
Compound_115	CCN(C(=O)c1cccn(=O)c1)CC	0.076	0.437	0.155	0.497	0.014	0.058	0.004	0.124	0.095	0.434	0.627
Compound_116	Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2)NCC1)O	0.314	0.491	0.017	0.297	0.575	0.454	0.019	0.067	0.112	0.032	0.333
Compound_117	OC(=O)C(c1ccc2c(c1)ccc(c2)O)C	0.059	0.746	0.076	0.351	0.773	0.844	0.955	0.516	0.403	0.91	0.515
Compound_118	CCOC(=O)c1c(scc1c1ccccc1)NC(=O)COc1ccc(c(c1)C)N(=O)=O	0.634	0.631	0.991	0.691	0.545	0.795	0.996	0.815	0.42	0.785	0.427
Compound_119	FCCCCCn1nc(c2c1cccc2)C(=O)N1CCCC1	0.539	0.602	0.541	0.628	0.485	0.535	0.375	0.992	0.606	0.478	0.349
Compound_120	COC(=O)[C@H](C(C)(C)C)NC(=O)c1nn(c2c1cccc2)CCC[C@H](F)C	0.563	0.721	0.339	0.501	0.589	0.463	0.572	0.987	0.41	0.168	0.38
Compound_121	CCCC(=O)N(c1ccccc1)C1CCN(CC1)C(Cc1ccccc1)C	0.369	0.512	0.11	0.134	0.12	0.925	0.008	0.078	0.356	0.487	0.117
Compound_122	CN(CCc1ccc(c(c1)Cl)Cl)CCN1CCCC1	0.072	0.563	0.48	0.069	0.061	0.297	0.061	0.612	0.503	0.116	0.067
Compound_123	c1sc2c(c1)c1c(s2)sc2c1ccs2	0.804	0.715	0.905	0.517	0.699	0.653	0.999	0.385	0.981	0.998	0.835
Compound_124	CNC(C(=O)c1cccs1)C	0.11	0.356	0.128	0.293	0.129	0.423	0.026	0.219	0.372	0.462	0.294
Compound_125	O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C	0.849	0.692	0.01	0.398	0.894	0.682	0.464	0.56	0.388	0.136	0.762
Compound_126	OCC1CC23CC1CCC3[C@@]1(C(CC2)[C@](C)(CCC1)C(=O)O)C	0.777	0.544	0.008	0.233	0.822	0.835	0.148	0.168	0.032	0.268	0.128
Compound_127	COc1cc(/C=C/C(=O)NCC(c2ccc(cc2)O)O)ccc1O	0.153	0.583	0.073	0.496	0.162	0.148	0.077	0.753	0.501	0.229	0.083
Compound_128	COC(=O)C12CCC(C(C2C2=CCC3C(C2(CC1)C)(C)CCC1C3(C)CCC(C1(C)C)OC(=O)C)C)C	0.946	0.836	0.128	0.552	0.964	0.768	0.519	0.989	0.484	0.996	0.177
Compound_129	OC[C@H]1OC([C@@H]([C@H]([C@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O	0.749	0.648	0.723	0.705	0.965	0.775	0.326	0.923	0.254	0.01	0.608
Compound_130	OCC1C(COC1c1ccc(c(c1)OC)OC1OC(CO)C(C(C1O)O)O)Cc1ccc(c(c1)OC)O	0.623	0.627	0.011	0.482	0.869	0.438	0.085	0.339	0.372	0.264	0.545
Compound_131	O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]1O)OC1CCC(=O)c2c1c(O)ccc2O	0.744	0.492	0.507	0.58	0.969	0.776	0.652	0.135	0.461	0.016	0.721
Compound_132	CC(CCC1C(=C)CCC2C1(C)CCC(C2(C)C)O)CCOC(=O)CCC(=O)O	0.827	0.82	0.055	0.417	0.722	0.296	0.287	0.826	0.613	0.943	0.732
Compound_133	CC(CCC1C(=C)CCC2C1(C)CC(=O)CC2(C)C)CCOC(=O)C	0.948	0.713	0.677	0.576	0.59	0.154	0.529	0.921	0.543	0.998	0.714
Compound_134	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.78	0.763	0.214	0.716	0.851	0.883	0.835	0.706	0.573	0.076	0.523
Compound_135	OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OC(C(COc2c3ccoc3cc3c2ccc(=O)o3)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.424	0.67	0.075	0.46	0.398	0.864	0.816	0.138	0.492	0.674	0.844
Compound_136	C=C1CC[C@H]2[C@@]([C@H]1COc1ccc3c(c1)oc(=O)cc3)(C)CC[C@H](C2(C)C)O	0.488	0.76	0.94	0.628	0.896	0.889	0.97	0.948	0.495	0.898	0.756
Compound_137	OC1C(COC(=O)c2cc(O)c(c(c2)O)O)OC(C(C1O)O)OC(=O)c1cc(O)c(c(c1)O)O	0.703	0.535	0.542	0.536	0.948	0.602	0.183	0.042	0.618	0.034	0.662
Compound_138	CC1=CCC(CC1)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)(C)C	0.726	0.791	0.056	0.467	0.458	0.637	0.148	0.287	0.771	0.877	0.547
Compound_139	O=C(/C=C(\N)/C)OCCSCCOC(=O)/C=C(\N)/C	0.155	0.154	0.368	0.711	0.769	0.207	0.845	0.835	0.647	0.933	0.849
Compound_140	COc1cc(cc(c1OC)OC)C1OC(C(C1C)C)c1cc(OC)c(c(c1)OC)OC	0.723	0.654	0.76	0.611	0.768	0.524	0.947	0.061	0.876	0.633	0.904
Compound_141	CCC1C(=O)O[C@@]23C1O[C@@H]1[C@H]3[C@H](C=C2)C(=CO1)C(=O)O	0.804	0.347	0.014	0.278	0.934	0.452	0.78	0.969	0.559	0.558	0.417
Compound_142	COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC	0.838	0.689	0.343	0.533	0.869	0.441	0.958	0.055	0.882	0.96	0.997
Compound_143	OC1CC(=O)[C@](C)(O)C[C@@H]([C@@H]2[C@@H](C=C1C)OC(=O)C2=C)OC(=O)C(=C)C	0.887	0.604	0.001	0.534	0.685	0.508	0.985	0.978	0.574	0.313	0.869
Compound_144	C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@H]([C@](C(=O)[C@@H]2[C@H]1O2)(C)O)OC(=O)C(=C)C	0.921	0.505	0.013	0.546	0.816	0.558	0.993	0.845	0.615	0.724	0.86
Compound_145	CC(=CC(=O)OC1C2OC(=O)C(=C)C2C(C2C(=C1C)C(=O)C=C2C)O)C	0.854	0.502	0.149	0.535	0.907	0.261	0.967	0.99	0.797	0.65	0.5
Compound_146	COCC1=C2/C(=C\C3(C)CCC([C@](C[C@@H]2OC(=O)C(=C)C)(C)O)(O3)O)/OC1=O	0.899	0.9	0.054	0.544	0.891	0.648	0.996	0.997	0.713	0.234	0.551
Compound_147	CC(=CCC1COC(=O)C1=C)CC1CC(C(=O)O1)C	0.912	0.405	0.605	0.692	0.469	0.066	0.986	0.989	0.686	0.994	0.938
Compound_148	OCC1OC(OC2C3COC(=O)C3C(c3c2cc2OCOc2c3)c2cc(OC)c(c(c2)OC)OC)C(C(C1O)O)O	0.929	0.743	0.253	0.449	0.869	0.856	0.841	0.121	0.885	0.288	0.894
Compound_149	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)OC)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.778	0.519	0.251	0.613	0.952	0.699	0.198	0.382	0.367	0.269	0.58
Compound_150	OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	0.296	0.474	0.052	0.521	0.918	0.899	0.401	0.747	0.421	0.09	0.191
Compound_151	O[C@H]([C@H](/C(=C(/c1ccccc1)\C)/O)O)[C@@H]([C@@H](/C(=C(/c1ccccc1)\C)/O)O)O	0.77	0.762	0.579	0.531	0.392	0.453	0.454	0.203	0.397	0.694	0.838
Compound_152	O=C(/C=C/c1ccc(cc1)O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.747	0.513	0.278	0.703	0.912	0.955	0.774	0.215	0.574	0.146	0.638
Compound_153	CCOC(=O)c1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)c1ccc(cc1)C(=O)OCC	0.649	0.662	0.995	0.527	0.717	0.954	0.981	0.037	0.605	0.274	0.779
Compound_154	O=C(c1ccccc1)OCC1(O)C(O)C=CC(C1O)OC(=O)c1ccccc1	0.821	0.591	0.71	0.637	0.511	0.846	0.493	0.223	0.723	0.224	0.537
Compound_155	COc1ccc2c(c1C1OC1C(=C)C)oc(=O)cc2	0.728	0.825	0.994	0.565	0.509	0.363	0.752	0.91	0.639	0.244	0.862
Compound_156	O=C(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2OC(=O)/C=C/c2ccccc2)O)O)[C@H]([C@@H]([C@H]1O)O)O)/C=C/c1ccccc1	0.77	0.462	0.204	0.517	0.548	0.868	0.742	0.188	0.541	0.136	0.545
Compound_157	CC(=CCc1c(O)c(CC=C(C)C)c2c(c1O)c(=O)c(co2)c1ccc(c(c1)O)O)C	0.856	0.761	0.785	0.723	0.933	0.928	0.351	0.984	0.259	0.125	0.908
Compound_158	OCC1CCC/C(=C/C2C(C(C1)OC(=O)C(=C)C)C(=C)C(=O)O2)/CO	0.927	0.584	0.006	0.628	0.671	0.528	0.981	0.886	0.686	0.936	0.759
Compound_159	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3OC(=O)C=Cc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.747	0.426	0.009	0.616	0.956	0.71	0.945	0.079	0.75	0.882	0.5
Compound_160	NCc1ccc(cc1)C(=O)NC1C(CCc2c1cccc2)CC(=O)O	0.286	0.603	0.033	0.15	0.103	0.844	0.966	0.047	0.333	0.008	0.057
Compound_161	COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O	0.881	0.684	0.218	0.551	0.96	0.282	0.878	0.037	0.77	0.939	0.999
Compound_162	OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCC2CCC3CC2C3(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.587	0.724	0.009	0.483	0.728	0.647	0.517	0.105	0.495	0.65	0.283
Compound_163	OC[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H]([C@H]([C@@H]1O)O)O	0.193	0.388	0.32	0.489	0.173	0.673	0.725	0.008	0.547	0.76	0.215
Compound_164	C/C(=C\COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O)/CCC=C(C)C	0.72	0.787	0.951	0.642	0.935	0.86	0.974	0.971	0.688	0.609	0.848
Compound_165	CC(=O)OC1CCC(=C)C2C1(C)CC1(O)OC(=O)C(=C1C2)C	0.946	1.0	0.026	0.544	0.895	0.749	0.542	0.943	0.889	0.988	0.593
Compound_166	O=C1OC(C(=C1)CCC1(C)C(C)CCC2(C1CC(O)C(C12OC1)O)C)O	0.982	0.98	0.064	0.606	0.966	0.865	0.925	0.995	0.807	0.898	0.566
Compound_167	OC[C@H]1O[C@@H](C2CC3=C(C=C2O)N=c2c3c3C(=O)N=Cc3c3c2=NC2=C(O)CC(=O)C=C32)[C@@H]([C@H]([C@@H]1O)O)O	0.721	0.685	0.032	0.454	0.545	0.659	0.95	0.174	0.718	0.093	0.5
Compound_168	Oc1ccc(cc1)[C@@H]1c2c(O)cc(cc2OC(=O)[C@@H]1[C@H]1C(=O)Oc2c([C@H]1c1ccc(cc1)O)c(O)cc(c2)O)O	0.714	0.698	0.747	0.652	0.999	0.856	0.986	0.47	0.656	0.04	0.701
Compound_169	OCC1OC(Oc2ccc(cc2OC)C2OCC3C2COC3c2ccc(c(c2)OC)O)C(C(C1O)O)O	0.643	0.659	0.005	0.415	0.917	0.499	0.097	0.176	0.353	0.265	0.67
Compound_170	OCC1OC(OCCC(c2cc(OC)c3c(c2)cc(o3)c2ccc3c(c2)OCO3)O)C(C(C1O)O)O	0.403	0.637	0.724	0.487	0.367	0.717	0.199	0.545	0.438	0.177	0.484
Compound_171	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)COC(=O)C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.662	0.514	0.009	0.357	0.783	0.579	0.436	0.582	0.679	0.696	0.419
Compound_172	CCNC(C(=O)c1ccc(cc1)Br)C	0.112	0.163	0.094	0.291	0.129	0.578	0.002	0.067	0.375	0.771	0.068
Compound_173	NC(=O)C(C(C)(C)C)NC(=O)c1cn(c2c1cccc2)Cc1ccc(cc1)F	0.491	0.642	0.571	0.4	0.386	0.303	0.91	0.092	0.524	0.515	0.691
Compound_174	OCCCCCn1nc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.579	0.536	0.56	0.588	0.818	0.709	0.994	0.579	0.429	0.011	0.35
Compound_175	COc1c(O)cc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.767	0.857	0.183	0.56	0.801	0.51	0.343	0.865	0.481	0.04	0.648
Compound_176	OC1CCN(CC1)C1(CCCCC1)c1ccccc1	0.093	0.335	0.218	0.173	0.023	0.608	0.001	0.017	0.179	0.028	0.149
Compound_177	CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]1O[C@H]1c1ccccc1	0.676	0.519	0.951	0.628	0.403	0.276	0.976	0.873	0.848	0.563	0.486
Compound_178	OC(CNC(Cc1ccc(c(c1)F)Cl)(C)C)COC(c1ccccc1Oc1ccc(cc1C)C(=O)O)C	0.153	0.586	0.146	0.383	0.744	0.794	0.134	0.398	0.395	0.182	0.163
Compound_179	COC(=O)C1=COC(C2C1CC1N(C2)CCC21C(=O)Nc1c2cccc1)C	0.633	0.759	0.101	0.303	0.345	0.45	0.364	0.562	0.328	0.121	0.631
Compound_180	CCCCC(C(=O)c1ccccc1)NCC	0.059	0.178	0.047	0.188	0.007	0.051	0.001	0.28	0.247	0.541	0.024
Compound_181	CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl	0.658	0.574	0.645	0.276	0.265	0.803	0.919	0.794	0.418	0.579	0.348
Compound_182	COCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.638	0.599	0.115	0.232	0.102	0.782	0.002	0.048	0.287	0.082	0.065
Compound_183	OCC1=CC[C@H]2[C@@]([C@@H]1CC/C(=C\C(=O)O)/COC(=O)C)(C)CCCC2(C)C	0.963	0.569	0.172	0.494	0.906	0.925	0.436	0.781	0.789	0.932	0.718
Compound_184	FCCCCCn1cc(c2c1cccc2)C(=O)N[C@@H](C(C)(C)C)C(=O)OC	0.527	0.641	0.204	0.486	0.224	0.129	0.609	0.934	0.34	0.309	0.374
Compound_185	O=CC1=CC[C@H]2[C@@]([C@@H]1CC/C(=C\C(=O)O)/COC(=O)C)(C)CCCC2(C)C	0.948	0.529	0.489	0.444	0.82	0.929	0.342	0.968	0.666	0.862	0.723
Compound_186	O[C@H]1[C@@H](Oc2c(C1=O)c(O)c(c(c2)O)C)c1cc(O)c(c(c1)O)O	0.24	0.779	0.085	0.499	0.791	0.523	0.146	0.122	0.426	0.203	0.339
Compound_187	CCCC(=O)N([C@@H]1CCN(C[C@H]1C)CCc1ccccc1)c1ccccc1	0.417	0.522	0.045	0.213	0.126	0.932	0.014	0.056	0.299	0.487	0.098
Compound_188	C/C(=C\Cc1cc2ccc(=O)oc2cc1O)/CCC=C(C)C	0.866	0.657	0.853	0.59	0.881	0.949	0.601	0.967	0.945	0.971	0.658
Compound_189	Oc1cc(CCCCCCCC=CCCCCCc2cc(O)cc(c2)O)cc(c1)O	0.985	0.663	0.67	0.645	0.939	0.833	0.978	0.986	0.9	0.828	0.619
Compound_190	OC[C@H]1O[C@@H](Oc2ccccc2C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.301	0.428	0.116	0.424	0.337	0.296	0.645	0.05	0.555	0.168	0.272
Compound_191	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)c1ccc2c(c1)OCO2	0.505	0.786	0.764	0.175	0.425	0.941	0.462	0.496	0.356	0.494	0.281
Compound_192	C/C=C(\C(=O)O[C@H]1CC2=CC(OC2=O)C/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)/C	0.904	0.657	0.108	0.525	0.56	0.462	0.991	0.993	0.868	0.996	0.731
Compound_193	OC[C@H]1O[C@@]([C@H]([C@@H]1OC(=O)C)O)(CO)O[C@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O	0.736	0.498	0.073	0.558	0.255	0.628	0.923	0.161	0.524	0.896	0.542
Compound_194	COc1ccccc1CN[C@H](Cc1ccc(cc1)C)C	0.013	0.49	0.565	0.339	0.042	0.744	0.538	0.206	0.371	0.005	0.213
Compound_195	Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.473	0.547	0.458	0.558	0.977	0.717	0.347	0.522	0.495	0.03	0.593
Compound_196	N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F	0.785	0.698	0.727	0.762	0.83	0.555	0.967	0.871	0.386	0.49	0.44
Compound_197	CCN([C@@H]1CCCC[C@H]1N(C(=O)c1ccc(c(c1)Cl)Cl)C)CC	0.232	0.523	0.887	0.121	0.061	0.543	0.076	0.491	0.432	0.622	0.13
Compound_198	CC(CC(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C1CC(=O)C=C2C)C	0.968	0.825	0.042	0.274	0.636	0.451	0.183	0.939	0.053	0.986	0.376
Compound_199	C=CC(=O)N(c1ccc(cc1)F)C1CCN(CC1)CCc1ccccc1	0.428	0.537	0.204	0.212	0.364	0.895	0.009	0.247	0.689	0.877	0.21
Compound_200	COc1ccc(cc1)C1CC(=O)c2c(O1)cc(c(c2O)CC=C(C)C)O	0.546	0.752	0.406	0.643	0.962	0.978	0.905	0.97	0.434	0.256	0.872
Compound_201	OC(=O)C(=C)[C@H]1C[C@]2(C)C(=O)CC[C@@]32O[C@H]1C[C@@H]3C	0.788	0.885	0.004	0.238	0.905	0.471	0.604	0.558	0.183	0.84	0.671
Compound_202	COc1cc2OC3C(c2c2c1C(=O)CC(O2)c1ccccc1)C3(C)C	0.38	0.659	0.595	0.561	0.939	0.899	0.989	0.391	0.425	0.342	0.975
Compound_203	CC1CC(=O)c2c(O1)cc1c(c2O)c(O)cc(c1c1c(O)cc(c2c1cc1OC(C)CC(=O)c1c2O)O)O	0.685	0.768	0.581	0.647	0.987	0.988	0.917	0.994	0.521	0.016	0.692
Compound_204	COc1cccc(c1)Nc1ncnc2c1c(c1ccccc1)c(s2)C	0.733	0.814	0.989	0.853	0.459	0.743	0.992	0.988	0.729	0.758	0.432
Compound_205	OC[C@H]1O[C@H]([C@@H]([C@@H]1OC(=O)c1c(C)cc(cc1OC)OC)OC(=O)C)n1ccc(=O)[nH]c1=O	0.724	0.521	0.07	0.434	0.35	0.464	0.266	0.119	0.457	0.078	0.7
Compound_206	OC[C@H]1O[C@H]([C@@H]([C@@H]1OC(=O)c1c(C)cc(cc1OC)OC)O)n1ccc(=O)[nH]c1=O	0.715	0.481	0.093	0.411	0.344	0.499	0.266	0.082	0.333	0.203	0.773
Compound_207	CC(=O)CCC1=CCC2C(CC1C)OC(=O)C2=C	0.904	0.6	0.367	0.708	0.521	0.145	0.977	0.981	0.495	0.999	0.892
Compound_208	CC(CCC/C=C/C1CC(CC1C(/C=C/C(=O)O)O)O)O	0.927	0.651	0.029	0.317	0.885	0.268	0.959	0.849	0.333	0.943	0.013
Compound_209	C=C(C1CCC2(C(C1)C(C)(O)CCC2)C)C(=O)O	0.921	0.795	0.043	0.258	0.816	0.137	0.329	0.678	0.238	0.987	0.437
Compound_210	OC(=O)CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(=O)O)C	0.832	0.622	0.102	0.207	0.709	0.083	0.551	0.768	0.059	0.979	0.678
Compound_211	CC1CCCCCC(=O)c2c(CC(=O)O1)cc(O)cc2O	0.82	0.415	0.324	0.541	0.333	0.513	0.925	0.532	0.23	0.775	0.746
Compound_212	OCC1OC(C(C1OC(=O)c1c(C)cc(cc1OC)O)OC(=O)C)n1ccc(=O)[nH]c1=O	0.738	0.511	0.11	0.403	0.486	0.525	0.416	0.099	0.421	0.093	0.785
Compound_213	COC1=C(c2cc(O)c(c(c2)CC=C(C)C)O)C(OC1=O)(Cc1ccc(c(c1)CC=C(C)C)O)C(=O)OC	0.823	0.803	0.62	0.647	0.823	0.532	0.245	0.999	0.437	0.908	0.993
Compound_214	OCC1OC(OCCC2(C)CCC34C(C2)(O3)C(O)CC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O	0.355	0.806	0.001	0.334	0.91	0.749	0.911	0.274	0.449	0.874	0.304
Compound_215	CCCCCCC=CCCCCC=CCc1cc(O)cc(c1)O	0.93	0.289	0.665	0.638	0.759	0.343	0.992	0.996	0.92	0.941	0.742
Compound_216	COC(=O)c1c(C)cc(c(c1O)C)OC1=C(C)C(=O)C(C(C1O)(C)OC)O	0.588	0.606	0.275	0.57	0.784	0.876	0.828	0.496	0.716	0.825	0.939
Compound_217	O=C1/C=C/C(O)C(C)OC(=O)/C=C/C(C(OC(=O)CC(O1)C)C)O	0.848	0.234	0.058	0.568	0.883	0.43	0.887	0.977	0.69	0.912	0.478
Compound_218	c1ccc(cc1)c1cccc2c1oc(c2)C1=CN2CCC1CC2	0.163	0.61	0.756	0.383	0.113	0.677	0.36	0.393	0.378	0.286	0.354
Compound_219	COc1c(O)c(Cl)c2c(c1O)C(=O)OC(C2O)C	0.78	0.486	0.531	0.582	0.644	0.549	0.215	0.104	0.319	0.245	0.472
Compound_220	CC(=O)OCCC[C@@H](C1=C(C)C[C@@H]2[C@H]([C@@H]1O)C(=C)C(=O)O2)C	0.924	0.676	0.028	0.653	0.5	0.482	0.911	0.765	0.827	0.833	0.857
Compound_221	COc1c2OC3(C)CCCC(c2c(c2c1oc1ccc(c(c1c2=O)OC)O)O)O3	0.754	0.762	0.468	0.552	0.961	0.703	0.7	0.924	0.503	0.198	0.624
Compound_222	COC(=O)[C@]12C(=O)C(C(=O)[C@]2(C)C(=C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C=O)CC[C@@H](C1(C)C)OC(=O)C)C)C	0.865	0.94	0.553	0.589	0.291	0.552	0.056	0.974	0.422	0.982	0.917
Compound_223	COc1cc2OCCc2c2c1C(=O)C[C@H](O2)C	0.475	0.612	0.64	0.507	0.427	0.763	0.348	0.844	0.49	0.077	0.888
Compound_224	C=CCC1OC(=O)CCNC(=O)C(C)N(C)C(=O)C(N(C(=O)C(NC(=O)C2N(C1=O)CCC2)C(CC)C)C)C(C)C	0.17	0.556	0.204	0.395	0.099	0.094	0.065	0.984	0.371	0.19	0.404
Compound_225	CCCCCCC=CCCC/C=C/C=C/C(=O)N1CCCCC1	0.799	0.243	0.799	0.684	0.059	0.796	0.904	0.696	0.877	0.912	0.135
Compound_226	CCCCCC[C@@H](CCCCCC/C=C/[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)N)O)OC(=O)C)O)O	0.357	0.194	0.005	0.201	0.49	0.139	0.012	0.82	0.242	0.181	0.172
Compound_227	COc1c(OC)cc2c3c1c1cc(OC)c(cc1CC3NCC2)O	0.22	0.605	0.272	0.497	0.146	0.241	0.203	0.754	0.33	0.02	0.5
Compound_228	OC/C(=C/1\CCC23C1CCC(C(C3)OC2)(O)C(=O)O)/C	0.767	0.751	0.037	0.344	0.533	0.215	0.496	0.259	0.072	0.485	0.11
Compound_229	O=CC1=C2C=C(C)OC=C2[C@@H]([C@@](C1=O)(C)O)O	0.755	0.725	0.226	0.519	0.356	0.941	0.503	0.432	0.47	0.036	0.345
Compound_230	O=C(O[C@@H]1C=C2COC(=O)[C@@]2([C@@]2(C1C(C)(C)CCC2)C)O)/C=C/C=C/C(C(O)C)O	0.896	0.897	0.128	0.7	0.83	0.88	0.529	0.981	0.657	0.181	0.285
Compound_231	COC(=O)C1(C)OC(=O)C2C(C1=O)(C)C(=C)CC1C2(C)C(OC(=O)C)C(O)C2C1(C)C(O)CC(=O)C2(C)C	0.76	0.776	0.041	0.537	0.799	0.634	0.866	0.919	0.418	0.517	0.74
Compound_232	COc1cc(oc(=O)c1)C(C(C)C)NC(=O)C	0.512	0.437	0.191	0.431	0.109	0.367	0.016	0.255	0.582	0.718	0.163
Compound_233	CC1CCCC2OC2C(=O)c2c(CC(=O)O1)cc(O)cc2O	0.8	0.376	0.171	0.568	0.442	0.485	0.934	0.514	0.304	0.67	0.694
Compound_234	CC(CC1CCC(O1)C(C(=O)OC(CC1CCC(O1)C(C(=O)O)C)C)C)O	0.794	0.352	0.001	0.224	0.24	0.085	0.922	0.22	0.074	0.658	0.816
Compound_235	COC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O	0.829	0.777	0.724	0.56	0.791	0.838	0.991	0.673	0.736	0.14	0.512
Compound_236	CCCCCCCC/C(=C/CC(=O)O)/C(=O)O	0.963	0.113	0.133	0.157	0.41	0.026	0.681	0.345	0.281	0.88	0.422
Compound_237	COc1cc2C(O)C(C)OC(=O)c2c(c1Cl)O	0.646	0.492	0.72	0.619	0.914	0.577	0.12	0.162	0.388	0.226	0.603
Compound_238	CC(/C=C/1\NC(=O)C(n2c1nc1ccccc1c2=O)C(C)C)C	0.489	0.579	0.818	0.572	0.141	0.109	0.013	0.795	0.438	0.059	0.181
Compound_239	COc1cc2CC(C)OC(=O)c2c(c1Cl)O	0.657	0.485	0.924	0.719	0.937	0.648	0.579	0.272	0.404	0.315	0.27
Compound_240	COc1cc2C(O)C(C)OC(=O)c2c(c1)O	0.593	0.589	0.855	0.584	0.772	0.49	0.236	0.091	0.434	0.065	0.417
Compound_241	COc1cc(O)cc2c1C(=O)OC(C2)C	0.469	0.602	0.973	0.639	0.822	0.683	0.823	0.076	0.489	0.205	0.159
Compound_242	C[C@@H]1N[C@H]2N(C1=O)c1c([C@@]2(O)C[C@@H]2C(=O)N[C@H](c3n2c(=O)c2c(n3)cccc2)C)cccc1	0.817	0.571	0.387	0.453	0.751	0.534	0.039	0.138	0.366	0.007	0.426
Compound_243	CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C	0.93	0.787	0.013	0.118	0.85	0.383	0.357	0.097	0.073	0.946	0.4
Compound_244	CCC(C(C(/C=C/C1=CC2=C(Cl)C(=O)C(C(C2CO1)O)(C)O)(O)C)O)C	0.856	0.77	0.013	0.62	0.863	0.94	0.172	0.914	0.405	0.467	0.077
Compound_245	CCC(/C=C(/C=C/c1cc2=C(Cl)C(=O)C(C(=O)c2cn1CCCC(=O)O)(C)OC(=O)C)\C)C	0.692	0.769	0.032	0.407	0.673	0.833	0.103	0.802	0.416	0.127	0.277
Compound_246	COc1cc(CC(=O)O)c(c(c1)O)C(=O)C	0.323	0.22	0.216	0.454	0.145	0.22	0.829	0.011	0.327	0.043	0.119
Compound_247	COC(C(C(C(/C(=C/C(C(=O)CCCC1CC(=O)NC(=O)C1)C)/C)O)C)O)/C=C/CC/C=C/C(=O)O	0.64	0.604	0.027	0.416	0.14	0.834	0.633	0.944	0.617	0.404	0.38
Compound_248	OCc1cc2OC(C)(CC(=O)c2c(c1)O)C1CCC(=O)O1	0.5	0.686	0.153	0.589	0.732	0.608	0.404	0.435	0.261	0.118	0.94
Compound_249	CC([C@H](N1Cc2c(C1=O)cc(c1c2O[C@]2(C1)[C@H](C)CCC1[C@]2(C)C[C@@H](O)[C@H](C1(C)C)O)O)C(=O)O)C	0.654	0.759	0.021	0.454	0.659	0.854	0.942	0.282	0.316	0.909	0.646
Compound_250	CCCCCCCC(=O)C(NC(=O)CCC(=O)O)C	0.074	0.086	0.016	0.14	0.072	0.037	0.005	0.006	0.377	0.113	0.023
Compound_251	CC(C(C12CC2CC=CC1=O)O)NC(=O)C(CC(C(=O)O)O)N	0.15	0.53	0.001	0.3	0.218	0.37	0.009	0.658	0.36	0.005	0.054
Compound_252	COc1c2C(=O)OC(c2c(c(c1C)O)C(=O)O)O	0.601	0.276	0.776	0.372	0.385	0.891	0.496	0.078	0.452	0.078	0.602
Compound_253	CCCCCC[C@@H]([C@@H]1C[C@@H](O)C2=C(O1)[C@H](O)CCC2=O)O	0.833	0.692	0.013	0.563	0.514	0.729	0.742	0.89	0.363	0.85	0.056
Compound_254	CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O	0.916	0.435	0.091	0.603	0.541	0.609	0.611	0.96	0.42	0.868	0.198
Compound_255	OC(=O)c1cc2cc(O)c(cc2c(c1)c1ccc(c(c1)O)O)O	0.684	0.677	0.814	0.535	0.981	0.884	0.957	0.99	0.469	0.924	0.585
Compound_256	OCC1OC(OC(C(CCCCCCCCCCCCCCCCC(C(N)C)O)O)C)C(C(C1O)O)O	0.082	0.413	0.002	0.298	0.059	0.241	0.008	0.02	0.368	0.014	0.039
Compound_257	OCC1CCC2(C(=C(C)C(=O)CC2)C=C1CO)C	0.973	0.739	0.067	0.658	0.594	0.55	0.953	0.757	0.13	0.808	0.057
Compound_258	COC(=O)C(CC(c1c(O)cc2c(c1O)c(=O)oc(c2)C)OC)OC	0.66	0.628	0.794	0.472	0.561	0.204	0.977	0.958	0.36	0.368	0.892
Compound_259	CC[C@@H]1C(=O)O[C@@]23C1O[C@@H]1[C@H]3[C@H](C=C2)C(=CO1)C(=O)OC	0.827	0.458	0.15	0.565	0.914	0.408	0.992	0.996	0.668	0.241	0.819
Compound_260	COc1c(O)cc2c(c1O)C(=O)O[C@@H]([C@H]2O)C	0.727	0.572	0.695	0.558	0.683	0.199	0.146	0.138	0.229	0.071	0.298
Compound_261	OC(=O)C(CCc1ccc(cc1)O)O	0.658	0.091	0.039	0.273	0.344	0.291	0.574	0.196	0.064	0.037	-0.001
Compound_262	CCCC(C1OCC2=C1C(O)C(O)C(C2O)O)O	0.956	0.616	0.024	0.555	0.329	0.271	0.388	0.533	0.57	0.894	0.013
Compound_263	CC(CC1=CC(OC1=O)C(O)C)O	0.895	0.304	0.045	0.62	0.319	0.248	0.534	0.991	0.359	0.938	0.086
Compound_264	COc1cc(C(=O)C)c(c2c1OC(C)(C)C=C2)OC	0.733	0.54	0.506	0.674	0.681	0.759	0.237	0.743	0.576	0.141	0.777
Compound_265	O=C(C1OC1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1	0.626	0.744	0.946	0.687	0.163	0.707	0.816	0.839	0.531	0.875	0.332
Compound_266	COC(=O)CC1OC(C)C23C(C1)(O2)C(=O)c1c(C3=O)c(O)ccc1	0.836	0.723	0.171	0.549	0.922	0.768	0.901	0.852	0.398	0.024	0.902
Compound_267	OC1C=C(C(=O)O1)CCC1(C)C(C)CCC2(C1CC(O)C(C12OC1)O)C	0.961	0.98	0.214	0.566	0.955	0.854	0.919	0.995	0.413	0.898	0.566
Compound_268	COC(=O)c1c(O)c(O)cc2c1c(=O)c1c(o2)CC(OC1)(C)O	0.88	0.758	0.711	0.42	0.787	0.598	0.717	0.195	0.417	0.082	0.493
Compound_269	CC(=O)NC(C(=O)NCCc1ccc(cc1)O)CCC(=O)O	0.121	0.393	0.014	0.139	0.056	0.121	0.001	0.033	0.345	0.009	0.007
Compound_270	CC(=CC1(O)C(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(c(c3)O)O)[C@H]([C@@H]([C@H]2O)O)O)C(C)(C)C(=O)C(C1=O)(C)C)C	0.618	0.63	0.848	0.629	0.448	0.611	0.693	0.773	0.485	0.543	0.759
Compound_271	O=C(OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O	0.752	0.513	0.251	0.703	0.912	0.955	0.774	0.198	0.775	0.146	0.638
Compound_272	COc1c(OC)cc2c3c1c1c(C[C@@H]3NCC2)ccc(c1OC)O	0.222	0.605	0.107	0.466	0.192	0.228	0.165	0.651	0.274	0.02	0.5
Compound_273	O=Cc1ccc(c(c1)Oc1cc(ccc1OC)C(=O)O[C@H]1C=COC=C2[C@@H]1N1C(=O)C(=O)N(C(=O)C1=C2)C)O	0.721	0.776	0.548	0.721	0.771	0.344	0.065	0.92	0.375	0.02	0.228
Compound_274	COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(c1O)OC	0.459	0.459	0.17	0.837	0.735	0.063	0.248	0.804	0.396	0.034	0.07
Compound_275	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)c(c(cc2O)O)[C@@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)O)c1ccc(cc1)O	0.407	0.736	0.412	0.555	0.997	0.982	0.986	0.416	0.336	0.017	0.894
Compound_276	COC(=O)C1(C)CCCC2(C1CCC(=C)C2CCC1=CCOC1=O)C	0.967	0.769	0.833	0.559	0.842	0.482	0.888	0.998	0.413	0.995	0.96
Compound_277	COC(=O)c1cc(O)cc(c1C(=O)c1c(O)cc(cc1O)C)O	0.927	0.794	0.991	0.695	0.877	0.961	0.998	0.541	0.779	0.073	0.576
Compound_278	OC/C=C(\CCC1C(=C)CCC2C1(C)CCCC2(C)C(=O)O)/C	0.891	0.579	0.047	0.287	0.836	0.412	0.755	0.696	0.065	0.825	0.617
Compound_279	CC(=O)NC(C(=O)O[C@H]1CCC([C@H]2[C@@]1(C)C1(O)COC(=O)C1=CC2)(C)C)C(C)C	0.776	0.96	0.017	0.531	0.848	0.783	0.449	0.966	0.443	0.536	0.162
Compound_280	C=C1CCC2C(C1CCC1=CCOC1=O)(C)CCCC2(C)C(=O)O	0.94	0.819	0.338	0.384	0.886	0.644	0.853	0.992	0.272	0.811	0.842
Compound_281	COc1cc(O)c(c(c1)c1cc(O)c(cc1C)O)C(=O)O	0.475	0.759	0.431	0.462	0.884	0.462	0.969	0.833	0.605	0.416	0.265
Compound_282	C/C=C(/[C@@H]([C@@H](/C=C(/C=C/C/C(=C/Cc1[nH]c(OC)c(c(=O)c1C)OC)/C)\C)C)O)\C	0.497	0.506	0.046	0.51	0.722	0.914	0.672	0.364	0.583	0.027	0.366
Compound_283	COc1c(C(=O)Oc2c(C)c(C)c(c(c2C)OC)C(=O)O)c(C)c(c(c1C)OC(=O)c1c(C)cc(c(c1O)C)O)C	0.603	0.789	0.761	0.458	0.989	0.988	0.969	0.079	0.753	0.188	0.768
Compound_284	CCCCC[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)OC	0.916	0.787	0.568	0.713	0.944	0.996	0.982	0.993	0.83	0.41	0.975
Compound_285	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC(=O)c1c(C)cc(cc1OC)O)n1ccc(=O)[nH]c1=O	0.775	0.532	0.137	0.413	0.486	0.525	0.416	0.063	0.299	0.017	0.669
Compound_286	COc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1c1c(O)cc2c(c1O)CC(C(O2)c1ccc(cc1)O)O)O	0.291	0.766	0.061	0.631	0.994	0.963	0.888	0.445	0.314	0.006	0.405
Compound_287	O=C1Nc2ccccc2C(=O)NC1C	0.249	0.402	0.863	0.483	0.184	0.06	0.004	0.233	0.392	0.446	0.787
Compound_288	C/C(=C\Cc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O)/CCC=C(C)C	0.899	0.773	0.931	0.707	0.935	0.992	0.985	0.952	0.84	0.723	0.953
Compound_289	COc1cc(OC)c(c(c1)C(=O)OC)C(=O)c1c(O)cc(cc1O)C	0.836	0.789	0.993	0.751	0.921	0.926	0.992	0.286	0.665	0.188	0.768
Compound_290	COc1c(O)cc2c(c1CC=C(C)C)oc1c(c2=O)c(O)cc(c1CC=C(C)C)O	0.849	0.742	0.878	0.665	0.91	0.638	0.93	0.995	0.786	0.017	0.686
Compound_291	COc1cc2O[C@@H](CC(=O)c2cc1CC=C(C)C)c1ccc(cc1)O	0.689	0.754	0.55	0.664	0.966	0.978	0.954	0.982	0.465	0.433	0.976
Compound_292	COc1cc2C(O)CCC(=O)c2c(c1CO)O	0.706	0.494	0.096	0.455	0.749	0.966	0.875	0.176	0.439	0.175	0.259
Compound_293	CC(=CCOc1c2occc2cc2c1oc(=O)cc2)CC1C=C(C(=O)O1)C	0.324	0.697	0.922	0.547	0.132	0.523	0.593	0.937	0.535	0.299	0.96
Compound_294	OCC(CCCC(c1ccc(cc1O)C(=O)O)(O)C)C	0.619	0.41	0.055	0.426	0.379	0.314	0.12	0.195	0.219	0.371	0.1
Compound_295	COC(=O)[C@@H]([C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(C(=O)[C@]1(C)[C@H]1CC[C@@]3([C@H]([C@]41[C@@H]2O4)CC(=O)O[C@H]3c1ccoc1)C)O)O	0.706	0.866	0.015	0.556	0.247	0.489	0.987	0.698	0.446	0.231	0.951
Compound_296	CCC(C(=O)OC1CC(C)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)C	0.909	0.837	0.086	0.371	0.891	0.535	0.339	0.971	0.266	0.96	0.253
Compound_297	C[C@@H]1CC[C@@H]2[C@]([C@]31Cc1c(O3)c3CNC(=O)c3cc1O)(C)CC[C@H](C2(C)C)O	0.722	0.816	0.018	0.478	0.599	0.935	0.592	0.667	0.518	0.476	0.508
Compound_298	CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O	0.887	0.475	0.617	0.692	0.599	0.259	0.944	0.936	0.715	0.985	0.91
Compound_299	COC(=O)[C@@]12C(=O)C(=C([C@@]2(C)C(=CC2[C@@]1(C)CC1OC(=O)[C@@]32C1C(C)(C)[C@@H](CC3)OC(=O)C)C)O)C	0.877	0.948	0.029	0.608	0.964	0.818	0.765	0.981	0.424	0.939	0.955
Compound_300	CC1CC(=O)C2=C(O1)OC1(C(C2)C2(C)C(=O)C3OC3C(C2(CC1)O)(C)C)C	0.769	0.96	0.004	0.517	0.691	0.669	0.521	0.904	0.332	0.728	0.388
Compound_301	COc1cc(CCC(OC(=O)C)CCCCc2ccc(c(c2)O)O)cc(c1O)O	0.906	0.676	0.176	0.603	0.971	0.177	0.606	0.768	0.353	0.898	0.594
Compound_302	COc1c(OC)cc2c3c1c1c(CC3N(CC2)C)ccc(c1OC)O	0.165	0.801	0.556	0.371	0.248	0.299	0.011	0.85	0.178	0.072	0.253
Compound_303	CC1CCC2(C(C1C)C1=CCC3C(C1(CC2)C)(C)CCC1C3(C)CCC(C1(C)C(=O)O)O)C	0.931	0.9	0.088	0.322	0.953	0.714	0.114	0.964	0.068	0.992	0.03
Compound_304	CC(=O)OC1CCC2(C(C1(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2C(C)C(C)CC1)C)C)C	0.932	0.9	0.034	0.36	0.977	0.797	0.287	0.988	0.226	0.927	0.113
Compound_305	COc1ccc(cc1)c1nn(cc1C=Cc1scc(n1)c1ccc(cc1)Cl)c1ccccc1	0.784	0.684	0.965	0.779	0.657	0.731	0.968	0.801	0.752	0.605	0.694
Compound_306	COc1cc(/C=C/c2ccccc2)c(c(c1CC=C(C)C)O)C(=O)O	0.658	0.674	0.71	0.487	0.956	0.986	0.965	0.898	0.807	0.753	0.837
Compound_307	COc1cc(O)cc(c1CC=C(C)C)/C=C/c1ccccc1	0.71	0.648	0.995	0.753	0.938	0.729	0.873	0.951	0.891	0.776	0.992
Compound_308	CC(C1NC(=O)C2N(C1=O)CCC2)O	0.021	0.376	0.022	0.328	0.028	0.012	0.0	0.371	0.149	0.007	0.088
Compound_309	COc1c2OC3(C)CCCC(c2c(c2c1oc1cccc(c1c2=O)O)O)O3	0.777	0.732	0.566	0.568	0.874	0.658	0.491	0.938	0.503	0.153	0.578
Compound_310	CC/C=C(/C(C(C(=O)NCC(=O)C(C(C(C(=O)O)C)O)C)C)O)\C	0.129	0.164	0.001	0.286	0.01	0.028	0.0	0.645	0.25	0.498	0.479
Compound_311	COc1cc(/C=C/c2ccccc2)c(c(c1)O)C(=O)O	0.764	0.701	0.301	0.478	0.958	0.883	0.995	0.065	0.711	0.72	0.523
Compound_312	CCCC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)c1c(C)cc(cc1O)OC	0.886	0.91	0.23	0.637	0.749	0.798	0.806	0.956	0.34	0.811	0.801
Compound_313	OC/C/1=C\CC(C)(CCC=C(C)C)C=CC(C(/C=C/C1=O)(C)O)OC(=O)C=C(C)C	0.805	0.443	0.134	0.533	0.888	0.852	0.95	0.618	0.756	0.373	0.409
Compound_314	ClCCC1(Br)C(=O)Nc2c1cc(cc2)N(=O)=O	0.704	0.686	0.795	0.608	0.723	0.642	0.994	0.985	0.686	0.507	0.395
Compound_315	O=C(C(CC(=O)O)(CC(=O)O)O)OC1CC2C(C1(C)CC2)(C)C	0.46	0.722	0.006	0.211	0.528	0.276	0.266	0.369	0.57	0.186	0.556
Compound_316	COC(=O)c1cc(O)cc(c1Oc1c(Cl)c(C)c(c(c1C(=O)O)OC)Cl)O	0.635	0.647	0.561	0.424	0.653	0.55	0.948	0.018	0.503	0.275	0.822
Compound_317	OC(=O)CC(=O)NC(C(=O)Nc1ccccc1C(=O)N)C	0.086	0.396	0.036	0.21	0.142	0.101	0.016	0.011	0.391	0.038	0.107
Compound_318	COc1cc(/C=C/C(=O)O[C@@H]([C@@](C(=O)O)(Cc2ccc(c(c2)O)O)O)C(=O)O)ccc1O	0.751	0.554	0.089	0.523	0.738	0.1	0.586	0.953	0.418	0.595	0.277
Compound_319	CCC(/C=C(/C=C/C1=CC2=C(Cl)C(=O)C(C(=O)C2(C(O1)OC)O)(C)OC(=O)C)\C)C	0.765	0.804	0.017	0.672	0.733	0.9	0.488	0.995	0.42	0.36	0.211
Compound_320	Oc1cc(C)c2c(c1)oc1c(c2=O)c(O)cc(c1)O	0.871	0.866	0.931	0.539	0.89	0.97	0.992	0.981	0.874	0.424	0.767
Compound_321	CCC(/C=C(/C=C/C1=CC2=C(Cl)C(=O)C(C(=O)C2(C(O1)OC)O)(C)O)\C)C	0.728	0.804	0.094	0.643	0.799	0.934	0.559	0.99	0.438	0.458	0.179
Compound_322	O[C@@H]1[C@H](O)[C@@]2(C)C(C([C@H]1O)(C)C)CC[C@@]1(C2CC=C2[C@@]1(C)CC[C@@]1(C2[C@](C)(O)[C@H](C)CC1)C(=O)O)C	0.872	0.789	0.071	0.42	0.955	0.75	0.586	0.819	0.24	0.847	0.03
Compound_323	O=C1NC(Cc2ccccc2)C(=O)N2C1CCC2	0.698	0.476	0.085	0.323	0.003	0.044	0.001	0.082	0.338	0.46	0.082
Compound_324	CC(=C)[C@@H]1CC[C@]2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)[C@@H](C(=O)O)[C@@H](C1(C)C)O)C(=O)O	0.866	0.887	0.009	0.283	0.959	0.462	0.03	0.825	0.045	0.941	0.793
Compound_325	COc1c(OC)cc2c(c1OC)OCC1C2Oc2c1cc(c(c2OC)OC)O	0.48	0.646	0.502	0.616	0.956	0.204	0.329	0.417	0.418	0.118	0.978
Compound_326	O=C1OC(c2ccoc2)C2(C3(C1O3)C1(C)C(O)C(=O)C34C(C1CC2)(C=CC3=O)COC4(C)C)C	0.814	0.827	0.058	0.66	0.728	0.646	0.989	0.984	0.412	0.363	0.869
Compound_327	CC(CC(=O)O[C@@H]1[C@H](O)[C@@]23C(=O)C=C[C@@]3(C3[C@]1(C)[C@@]14O[C@@H]1C(=O)O[C@H]([C@@]4(CC3)C)c1cocc1)COC2(C)C)C	0.847	0.867	0.382	0.597	0.67	0.551	0.981	0.99	0.475	0.443	0.927
Compound_328	Oc1ccc(cc1)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.64	0.79	0.32	0.511	0.937	0.959	0.923	0.293	0.666	0.298	0.514
Compound_329	COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl	0.789	0.749	0.964	0.627	0.892	0.832	0.989	0.83	0.699	0.364	0.859
Compound_330	OC[C@H]1O[C@H]([C@@H]([C@@H]1OC(=O)c1c(C)cc(cc1OC)O)OC(=O)C)n1ccc(=O)[nH]c1=O	0.738	0.511	0.11	0.403	0.486	0.525	0.416	0.099	0.421	0.093	0.785
Compound_331	CC(=O)O[C@@H]1CC2C(C2(C)C)/C=C(/C(=O)[C@@]2(C(/C=C/1\C)[C@@H](OC(=O)c1ccccc1)[C@@H](C2)C)O)\C	0.91	0.57	0.136	0.714	0.771	0.719	0.947	0.916	0.567	0.4	0.746
Compound_332	COC1=CC(=O)CC(C21Oc1c(C2=O)c(O)cc(c1)OC)C	0.868	0.697	0.119	0.777	0.223	0.36	0.99	0.881	0.385	0.202	0.961
Compound_333	COc1cc(c2ccc(cc2)O)c(c(c1c1ccc(cc1)O)O)OC	0.948	0.711	0.898	0.777	0.977	0.499	0.348	0.943	0.779	0.509	0.789
Compound_334	O=Cc1c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)c(c(c1C)Cl)O	0.831	0.461	0.123	0.571	0.807	0.809	0.858	0.925	0.679	0.992	0.798
Compound_335	C[C@@H]1CC(=O)C2=C(C1)C[C@H]([C@]1(C2C(=O)c2cccc(c2[C@@H]1O)O)O)O	0.604	0.806	0.055	0.503	0.903	0.881	0.743	0.821	0.341	0.522	0.136
Compound_336	O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1(C2CC[C@]2(C1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C	0.929	0.963	0.017	0.712	0.928	0.535	0.091	0.955	0.567	0.876	0.573
Compound_337	CCC(/C=C(/C=C/c1[nH]cc2c(=C(Cl)C(=O)C(C2=O)(C)OC(=O)C)c1)\C)C	0.552	0.793	0.02	0.582	0.734	0.864	0.619	0.982	0.417	0.218	0.403
Compound_338	COc1c2CC3C(Oc2c(c2c1C(=O)OC2)C)(C)CC(C(C3(C)CCC(=O)O)C(O)(C)C)O	0.675	0.827	0.157	0.408	0.839	0.967	0.949	0.356	0.392	0.724	0.963
Compound_339	CCC(/C=C(/C=C/C1=CC2=C(Cl)C(=O)C(C(=O)C2=CO1)(C)OC(=O)C)\C)C	0.821	0.804	0.111	0.745	0.731	0.956	0.669	0.996	0.477	0.575	0.195
Compound_340	CC(=O)OC1CC2C(C)(C)OC(=O)C=CC2(C2C1(C)C1C(=O)OC(C(=O)C1(C(=C)C2)C)C)C	0.952	0.741	0.115	0.554	0.703	0.748	0.521	0.999	0.555	0.948	0.851
Compound_341	CCC1CN2CCc3c(C2CC1CC1=NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	0.584	0.819	0.063	0.348	0.083	0.779	0.032	0.272	0.904	0.082	0.587
Compound_342	CC[C@@H](/C=C(/C=C/C1=CC2=CC(=O)[C@]3([C@@H](C2=CO1)[C@H](C(=O)C)C(=O)O3)C)\C)C	0.786	0.715	0.38	0.625	0.064	0.459	0.85	0.971	0.443	0.798	0.281
Compound_343	CCC1NC(=O)CC(NC(=O)C(CO)NC(=O)C(NC(=O)C2N(C1=O)CC(C2Cl)Cl)C(O)C)c1ccccc1	0.603	0.496	0.067	0.464	0.341	0.342	0.017	0.508	0.147	0.131	0.433
Compound_344	O=Cc1c(O)c(C/C=C(/[C@@H](C[C@@]2(C)[C@H](C)CCC(=O)[C@@H]2C)OC(=O)C)\C)c(c(c1C)Cl)O	0.915	0.687	0.035	0.558	0.872	0.891	0.911	0.984	0.495	0.994	0.916
Compound_345	CCC(C(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.37	0.439	0.034	0.46	0.148	0.192	0.505	0.142	0.521	0.768	0.028
Compound_346	CCCCCC(=O)OC1C=C2COC(C2(C2(C1C(C)(C)CCC2O)C)O)O	0.94	0.895	0.029	0.673	0.791	0.823	0.56	0.957	0.395	0.364	0.12
Compound_347	O=C1NCCCCN(O)C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCN(C(=O)CC1)O)O	0.075	0.318	0.004	0.26	0.132	0.155	0.01	0.124	0.405	0.034	0.606
Compound_348	C=CCc1ccc(c(c1)OC)OC(Cc1cc(OC)c(c(c1)OC)OC)C	0.52	0.523	0.934	0.649	0.855	0.443	0.799	0.966	0.336	0.869	0.519
Compound_349	CC[C@@H](/C=C(/C=C/C(=O)Cc1cc(O)c(c(c1C=O)O)C)\C)C	0.773	0.484	0.164	0.65	0.179	0.795	0.643	0.961	0.776	0.929	0.777
Compound_350	OCC(C(c1ccc(c(c1)OC)O)O)Oc1ccc(cc1OC)C(=O)OC	0.403	0.578	0.294	0.424	0.914	0.124	0.113	0.046	0.266	0.098	0.419
Compound_351	OCc1cc(O)c(c(c1C=O)O)CC1(C)C(C)CCC2C1=CCC(C2(C)C)O	0.85	0.778	0.011	0.544	0.858	0.995	0.458	0.99	0.601	0.92	0.223
Compound_352	O=Cc1c(CO)cc(c2c1OC1(C2)C(C)CCC2C1(C)CC(OC(=O)C)C(C2(C)C)O)O	0.785	0.763	0.006	0.565	0.931	0.969	0.917	0.59	0.704	0.078	0.943
Compound_353	O=Cc1c(CO)cc(c2c1OC1(C2)C(C)CCC2C1(C)CC(O)C(C2(C)C)OC(=O)C)O	0.773	0.797	0.002	0.587	0.931	0.969	0.917	0.397	0.684	0.078	0.913
Compound_354	C=C1C(=O)O[C@H]2[C@@H]1C[C@@]1(C)[C@H]([C@H](C2)C)CC(=O)[C@@H]1O	0.899	0.754	0.002	0.596	0.665	0.422	0.536	0.977	0.322	0.543	0.825
Compound_355	C/C=C/C1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)c1c(C)cc(cc1OC)O	0.849	0.804	0.448	0.575	0.811	0.831	0.608	0.973	0.355	0.383	0.873
Compound_356	O=C(/C=C/c1ccc(cc1)O)NCCc1ccc(cc1)O	0.171	0.658	0.379	0.546	0.379	0.976	0.158	0.933	0.678	0.02	0.045
Compound_357	OCC1(O)C(=CC(=O)C2C1(C)CC(O)CC2(C)C)C	0.959	0.636	0.291	0.749	0.729	0.676	0.27	0.384	0.217	0.26	0.35
Compound_358	O=C1C(C)NC2N1c1ccccc1[C@]12C[C@H]2N(C(=O)C(O1)n1c2nc2c(c1=O)cccc2)C	0.809	0.644	0.399	0.405	0.693	0.514	0.163	0.115	0.36	0.003	0.213
Compound_359	CCC(CC(=O)OC1C(=C(C)CC2C1C(=C)C(=O)O2)C(CCCOC(=O)C)C)C	0.946	0.66	0.096	0.561	0.376	0.452	0.986	0.797	0.83	0.992	0.96
Compound_360	C/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](OC)C2=C([C@@]3([C@@H]1C(C)(C)CCC3)C)C(=O)N(C2)C(C(=O)O)CCC(=O)O	0.83	0.87	0.272	0.284	0.477	0.89	0.087	0.965	0.408	0.314	0.094
Compound_361	C[C@H](C(C)C)C[C@H]([C@@](C1CC[C@@]2([C@]1(C)CCC1C2=CC(=O)C2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O	0.937	1.0	0.174	0.776	0.952	0.954	0.068	0.889	0.23	0.92	0.065
Compound_362	CCC=CCC(C(CCC(CCCCCCCC(=O)O)O)O)O	0.897	0.13	0.057	0.101	0.449	0.075	0.827	0.579	0.037	0.915	0.054
Compound_363	O=C1NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCN(C(=O)CC1)O)O	0.075	0.318	0.004	0.26	0.132	0.155	0.01	0.124	0.405	0.034	0.606
Compound_364	CCCCC/C=C/C(CCCCCCC/C=C/C=C/C(=O)NCC(C)C)OO	0.749	0.14	0.08	0.441	0.181	0.405	0.025	0.95	0.55	0.326	0.283
Compound_365	CC(C1C(=O)N2C3N1C(=O)C(CC3(c1c2cccc1)O)n1cnc2c(c1=O)cccc2)C	0.827	0.538	0.483	0.526	0.772	0.499	0.035	0.221	0.308	0.005	0.164
Compound_366	Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)[C@@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O	0.768	0.82	0.853	0.796	0.996	0.871	0.86	0.977	0.39	0.019	0.909
Compound_367	O=C1C=C2C(=CC(=O)C3(C(C42OC4)CC2(C)C(=O)OC4C2C3C(=O)C(O4)C)C)C(O1)(C)C	0.945	0.808	0.164	0.695	0.439	0.545	0.814	0.997	0.461	0.661	0.402
Compound_368	CC(CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(C(C(CC2=O)O)O)O)C)C	0.382	0.829	0.453	0.403	0.16	0.614	0.044	0.648	0.403	0.48	0.558
Compound_369	CCCC[C@@H]([C@@H]1CC(=CC(=O)O1)OC)O	0.986	0.414	0.027	0.608	0.615	0.518	0.667	0.987	0.887	0.695	0.085
Compound_370	OCC1OC(OCC2OC(OC(c3ccccc3)C#N)C(C(C2O)O)O)C(C(C1O)O)O	0.202	0.433	0.126	0.528	0.465	0.558	0.365	0.098	0.482	0.507	0.358
Compound_371	CCC(CC(/C=C/CCC(C(Cc1ccc(cc1)O)NC)O)C)C	0.222	0.3	0.027	0.287	0.113	0.359	0.0	0.895	0.356	0.448	0.222
Compound_372	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@@]3(O2)O	0.406	0.729	0.043	0.514	0.943	0.681	0.977	0.085	0.667	0.64	0.735
Compound_373	N#N=NCNN(=O)=O	0.249	0.114	0.245	0.395	0.473	0.2	0.0	0.951	0.783	0.195	0.658
Compound_374	COc1cc(=O)oc(c1C)[C@@]1(C)O[C@H]1/C(=C\C(=C\[C@@]1(C)O[C@H]([C@]2([C@@H]1O2)C)C)\C)/C	0.793	0.652	0.212	0.665	0.89	0.365	0.996	0.973	0.703	0.18	0.96
Compound_375	OC[C@@]1(O)C(=CC(=O)[C@@H]2[C@]1(C)CCCC2(C)C)C	0.967	0.829	0.478	0.661	0.715	0.714	0.674	0.574	0.24	0.27	0.294
Compound_376	O=C1CCC2=C(C)CC[C@@H]3[C@H]([C@@]2(O1)C)OC(=O)C3=C	0.96	0.93	0.166	0.555	0.804	0.102	0.979	0.644	0.696	0.855	0.43
Compound_377	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O)O	0.761	0.484	0.046	0.543	0.954	0.499	0.453	0.708	0.34	0.95	0.618
Compound_378	COc1cc(O)c(c(c1)C(=O)OC)C(=O)c1c(O)cc(cc1O)C	0.886	0.789	0.993	0.744	0.921	0.926	0.992	0.148	0.653	0.188	0.768
Compound_379	COC(=O)C([C@@H]1[C@]2(C)[C@H](CC(=O)C1(C)C)O[C@]13C(=C)C2CC[C@@]3(C)[C@@H](OC(=O)C1)c1cocc1)O	0.753	0.95	0.02	0.546	0.068	0.355	0.991	0.968	0.46	0.625	0.94
Compound_380	Oc1cc2OC(CC(=O)c2c(c1)O)c1ccccc1	0.324	0.763	0.546	0.544	0.956	0.952	0.958	0.426	0.396	0.447	0.641
Compound_381	COc1cc2oc(=O)ccc2cc1C(C(C(O)(C)C)O)O	0.547	0.538	0.542	0.47	0.804	0.46	0.413	0.27	0.713	0.228	0.807
Compound_382	CCC=CCC(C(/C=C/C(CCCCCCCC(=O)O)O)O)O	0.957	0.13	0.14	0.12	0.617	0.171	0.721	0.408	0.141	0.915	0.054
Compound_383	Oc1cc2O[C@H](c3c(O)cccc3O)[C@H](C(=O)c2c(c1)O)O	0.164	0.803	0.13	0.589	0.864	0.779	0.483	0.105	0.363	0.12	0.557
Compound_384	COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(cc1)O	0.898	0.893	0.928	0.767	0.946	0.584	0.944	0.983	0.802	0.008	0.96
Compound_385	OC(=O)CC1C(=CCC2C1(C)C(=O)CC1(C2(C)CC(C1C(C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)C(C(=O)O)(C)C	0.944	0.907	0.007	0.319	0.223	0.302	0.119	0.875	0.379	0.676	0.801
Compound_386	CCC/C=C/1\OC(=O)C2=C1CCC(C2O)O	0.804	0.546	0.507	0.594	0.63	0.509	0.521	0.984	0.455	0.945	-0.001
Compound_387	CC(=CCc1cc(ccc1O)c1coc2c(c1=O)ccc(c2CC=C(C)C)O)C	0.843	0.784	0.929	0.763	0.935	0.992	0.985	0.991	0.865	0.336	0.961
Compound_388	OC(CC(CCc1ccc(cc1)O)O)CCc1ccc(cc1)O	0.939	0.599	0.059	0.596	0.883	0.969	0.286	0.41	0.309	0.716	0.1
Compound_389	C[C@H](CC(=O)O)CCC1=C(C)C(=O)C[C@H]2[C@]1(C)CCCC2(C)C	0.937	0.801	0.08	0.232	0.466	0.43	0.233	0.858	0.123	0.985	0.375
Compound_390	CC(=CCc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O)C	0.902	0.801	0.964	0.762	0.935	0.992	0.985	0.987	0.849	0.06	0.907
Compound_391	COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O	0.855	0.866	0.96	0.845	0.871	0.961	0.997	0.979	0.716	0.01	0.893
Compound_392	COC1=CC(=O)O[C@H]([C@H]1O)CCc1ccccc1	0.921	0.58	0.173	0.61	0.5	0.694	0.544	0.962	0.795	0.09	0.014
Compound_393	COC1=CC(=O)O[C@H](C1)CCc1ccccc1	0.944	0.732	0.479	0.602	0.323	0.702	0.888	0.94	0.855	0.494	0.239
Compound_394	O=C(OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O	0.813	0.511	0.193	0.838	0.964	0.93	0.879	0.496	0.561	0.029	0.874
Compound_395	OCC1(O)COC(C1O)OCC1OC(Oc2cc(OC)cc3c2c(cc(=O)o3)c2ccc(c(c2)O)O)C(C(C1O)O)O	0.685	0.837	0.18	0.596	0.962	0.374	0.125	0.448	0.386	0.37	0.625
Compound_396	COc1cc(O)cc2c1c(=O)c(co2)c1ccc(cc1)O	0.878	0.941	0.976	0.868	0.976	0.963	0.998	0.952	0.938	0.051	0.986
Compound_397	COc1cc(ccc1O)C1CC(=O)c2c(O1)cc(c(c2O)CC=C(C)C)O	0.554	0.727	0.302	0.64	0.931	0.705	0.188	0.979	0.354	0.056	0.834
Compound_398	O=c1ccc2c(o1)c(OCC(C(O)(C)C)O)c1c(c2)cco1	0.115	0.686	0.416	0.553	0.125	0.539	0.12	0.057	0.309	0.125	0.924
Compound_399	O=C(/C=C/c1ccc(cc1)O)NCCCCNC(=O)/C=C/c1ccc(cc1)O	0.155	0.56	0.128	0.569	0.381	0.957	0.018	0.876	0.511	0.12	0.039
Compound_400	C[C@H](CC(=O)O)CC[C@H]1C(=CC(=O)C2[C@]1(C)CCCC2(C)C)C	0.957	0.801	0.422	0.229	0.636	0.451	0.183	0.758	0.125	0.985	0.375
Compound_401	COC(c1ccccc1)CC(=O)c1ccc2c(c1OC)cco2	0.145	0.737	0.875	0.542	0.087	0.59	0.936	0.18	0.188	0.273	0.958
Compound_402	O=C(N1CCCCC1)/C=C/CCc1ccc2c(c1)OCO2	0.395	0.736	0.996	0.741	0.055	0.902	0.878	0.83	0.677	0.539	0.19
Compound_403	COc1cc2oc(=O)ccc2cc1C(C(C(O)(C)C)O)OC(=O)C=C(C)C	0.718	0.605	0.942	0.662	0.857	0.457	0.939	0.988	0.887	0.276	0.936
Compound_404	CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)\CCC=C(C)C)CC[C@@H]1[C@]2(C)C(=O)[C@@H](OC(=O)C)[C@@H]2[C@]1(C)C=CC(=O)[C@H]2C)C	0.79	0.957	0.791	0.47	0.401	0.61	0.114	0.979	0.297	0.408	0.655
Compound_405	Oc1ccc(cc1)/C=C/c1cc(O)cc2c1[C@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O	0.633	0.752	0.861	0.719	1.0	0.947	0.736	0.843	0.638	0.832	0.851
Compound_406	C/C=C/c1occ(c(=O)c1OC)C(=O)c1c(OC)cc(cc1C(=O)OC)OC	0.682	0.757	0.951	0.653	0.532	0.542	0.801	0.728	0.573	0.269	0.918
Compound_407	OCC1=C[C@@H](O)[C@@H]2[C@]([C@@]1(O)CO)(C)CCCC2(C)C	0.967	0.808	0.22	0.628	0.635	0.235	0.266	0.608	0.537	0.67	0.375
Compound_408	Oc1ccc(cc1)/C=C/C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O	0.26	0.557	0.147	0.493	0.456	0.679	0.193	0.774	0.433	0.466	0.02
Compound_409	CC(=C)C1Oc2c(C1)c1OCC(Cc1cc2)c1ccc(cc1O)O	0.554	0.728	0.911	0.649	0.961	0.927	0.54	0.954	0.307	0.469	0.901
Compound_410	COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC)O	0.751	0.862	0.951	0.662	0.953	0.589	0.779	0.982	0.621	0.021	0.987
Compound_411	C[C@@H](c1nc(=O)c2c([nH]1)cccc2)O	0.531	0.605	0.995	0.411	0.287	0.224	0.439	0.079	0.411	0.035	0.053
Compound_412	O=C1OC(C(=C1Cc1c(O)c(C)cc(c1O)C(=O)C)O)C	0.802	0.45	0.066	0.539	0.809	0.879	0.789	0.123	0.758	0.876	0.513
Compound_413	O=C(O[C@@H]1C[C@](O)(C[C@H]([C@@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O	0.879	0.515	0.072	0.416	0.954	0.098	0.271	0.842	0.335	0.774	0.527
Compound_414	COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	0.893	0.858	0.933	0.8	0.901	0.499	0.965	0.974	0.385	0.01	0.884
Compound_415	CCCC(c1c2OC(C)C(C(=O)c2c(c2c1OC(C)(C)C=C2)O)C)CC(=O)O	0.746	0.639	0.005	0.383	0.94	0.926	0.891	0.407	0.438	0.984	0.693
Compound_416	OC(=O)[C@]1(C)CCC[C@]2(C1CC(=O)c1c2ccc(c1)C(O)(C)C)C	0.651	0.647	0.014	0.32	0.155	0.384	0.935	0.471	0.424	0.936	0.641
Compound_417	OCC(C(=C)C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O)O	0.706	0.471	0.309	0.648	0.441	0.635	0.791	0.756	0.403	0.878	0.218
Compound_418	OC/C=C(/CC/C=C(/CCC=C(C(=O)O)CCC=C(C)C)\C)\CO	0.413	0.207	0.083	0.263	0.411	0.133	0.842	0.28	0.217	0.683	0.514
Compound_419	OC(=O)C[C@H](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)C	0.729	0.705	0.018	0.205	0.524	0.309	0.209	0.441	0.122	0.992	0.043
Compound_420	O=C(CCc1ccccc1)/C=C/CCc1ccccc1	0.722	0.636	0.63	0.652	0.266	0.806	0.99	0.742	0.806	0.996	0.907
Compound_421	OCC1=CC23CC1CCC3[C@@]1(C(CC2)[C@](C)(CCC1)C(=O)O)C	0.951	0.679	0.028	0.342	0.97	0.557	0.355	0.689	0.047	0.556	0.267
Compound_422	O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C	0.937	1.0	0.174	0.771	0.952	0.954	0.068	0.898	0.248	0.92	0.065
Compound_423	Oc1cc(C(C)C)c(c(c1C)c1c(C)c(O)cc(c1O)C(C)C)O	0.772	0.537	0.702	0.661	0.766	0.491	0.247	0.979	0.63	0.986	0.787
Compound_424	OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@H](O)C(CC1)(C)C)C(=O)O)C)C	0.917	0.829	0.019	0.352	0.932	0.756	0.319	0.343	0.141	0.305	0.015
Compound_425	CC=C(C(=O)O[C@@H]1C/C(=C/C[C@@H](C(=C[C@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)/C)COC(=O)/C(=C/C)/CO	0.91	0.632	0.005	0.592	0.669	0.583	0.924	0.908	0.843	0.98	0.961
Compound_426	CCCCCCCCCC(CC(=O)CCc1ccc(c(c1)OC)O)O	0.879	0.428	0.048	0.469	0.511	0.193	0.291	0.724	0.262	0.803	0.571
Compound_427	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(c(c2O)c1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O)O	0.396	0.736	0.248	0.64	0.994	0.984	0.941	0.955	0.351	0.017	0.894
Compound_428	O=C(/C=C/c1ccc(cc1)O)OCC1OC(OC(=O)c2cc(O)c(c(c2)O)O)C(C(C1O)O)O	0.818	0.512	0.732	0.714	0.963	0.64	0.246	0.305	0.687	0.174	0.752
Compound_429	O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@H](O)C(C)(C)CC1)C(=O)O)C	0.916	0.846	0.029	0.345	0.948	0.784	0.517	0.804	0.19	0.923	0.023
Compound_430	COc1cc(ccc1O)CC(C(Cc1ccc2c(c1)OCO2)C)C	0.841	0.658	0.817	0.628	0.827	0.587	0.981	0.399	0.155	0.896	0.952
Compound_431	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@]13C4(C2O)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	0.545	0.227	0.013	0.528	0.744	0.652	0.635	0.432	0.361	0.122	0.561
Compound_432	OC1c2cc(ccc2OC1C(O)(C)C)C(=O)C	0.217	0.267	0.345	0.436	0.395	0.799	0.132	0.088	0.572	0.82	0.493
Compound_433	CC(CCCCCCCCCC(Cc1cc(O)cc(c1)O)OC(=O)C)O	0.9	0.336	0.027	0.536	0.836	0.15	0.861	0.599	0.676	0.786	0.046
Compound_434	CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)cc1OCOc1c2	0.309	0.74	0.821	0.196	0.6	0.681	0.189	0.013	0.17	0.586	0.668
Compound_435	OCC1OC(OC2OC=C(C3C2C(C)(O)CC3)C(=O)O)C(C(C1O)O)OC(=O)/C=C/c1ccc(cc1)O	0.761	0.76	0.013	0.491	0.952	0.953	0.891	0.616	0.477	0.303	0.485
Compound_436	OC(=O)C[C@@]1(C)CC[C@@]2(O1)C(=CC[C@@H]1[C@]2(C)CCCC1(C)C)C	0.975	0.756	0.103	0.261	0.813	0.58	0.59	0.569	0.196	0.99	0.631
Compound_437	OC1C[C@]2(C)C([C@@]3(C1C(C)(C)[C@@H](O)CC3)C)CC=C1[C@@]2(C)CC[C@@]2([C@H]1[C@](C)(O)[C@@H](CC2)C)C(=O)O	0.921	0.856	0.144	0.365	0.947	0.755	0.43	0.896	0.258	0.997	0.049
Compound_438	O=C(/C=C/c1ccccc1)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.828	0.512	0.54	0.698	0.963	0.64	0.246	0.312	0.511	0.174	0.752
Compound_439	CCC(=O)O[C@H]1C(C)(C)[C@H]([C@H](C(=O)OC)O)[C@@]2(C(=O)[C@@]1(O)[C@H]1O[C@]31C2CC[C@@]1(C3CC(=O)O[C@H]1c1ccoc1)C)C	0.706	0.826	0.019	0.624	0.247	0.489	0.987	0.654	0.4	0.505	0.961
Compound_440	CCCC(c1c(OC)c(CC=C(C)C)c(c2c1OC(C)C(C2=O)C)O)CC(=O)O	0.523	0.612	0.036	0.411	0.836	0.895	0.964	0.765	0.427	0.787	0.894
Compound_441	COc1cc(/C=C/C(=O)OC2[C@H](O)CC(C[C@H]2O)(O)C(=O)O)ccc1O	0.792	0.545	0.017	0.461	0.876	0.05	0.146	0.789	0.461	0.791	0.433
Compound_442	COc1cc(CCc2cccc(c2)O)cc(c1)O	0.664	0.659	0.816	0.688	0.914	0.345	0.86	0.319	0.412	0.14	0.456
Compound_443	COC(=O)/C=C/C12COC(C1C(O)C(C1(C2CCC2(C31OC3C(=O)OC2c1cocc1)C)C)OC(=O)C)(C)C	0.831	0.837	0.037	0.62	0.552	0.529	0.99	0.992	0.604	0.294	0.928
Compound_444	OC(=O)CCC1OC(=O)C(=C1c1ccccc1)O	0.762	0.403	0.065	0.182	0.088	0.273	0.972	0.098	0.239	0.056	0.075
Compound_445	CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)O	0.966	0.89	0.479	0.623	0.812	0.563	0.788	0.245	0.402	0.13	0.867
Compound_446	OC[C@H](C1=C(O)C(=O)[C@@]2([C@@H]1C/C=C(\C)/[C@@H](O)CCC(=CCC/C(=C/C2)/C)C)C)C	0.821	0.858	0.052	0.562	0.449	0.327	0.434	0.202	0.081	0.202	0.552
Compound_447	O=C1OC(C2(C1=CCC1C2(C)CCCC1(C)C)O)O	0.953	0.91	0.152	0.616	0.753	0.884	0.776	0.995	0.797	0.902	0.103
Compound_448	C=C(C(=O)O)Oc1cccc(c1)C(=O)O	0.247	0.298	0.189	0.282	0.12	0.02	0.788	0.364	0.234	0.302	0.428
Compound_449	OC[C@H]1O[C@@H](OCCc2ccccc2)[C@@H]([C@H]([C@@H]1O)OC(=O)CC(CC(=O)O)(O)C)O	0.214	0.571	0.01	0.273	0.155	0.264	0.573	0.185	0.511	0.22	0.038
Compound_450	C=C([C@@H]1CC[C@@]2([C@@H](C1)[C@H](CCC1(O)C(=O)C=C[C@]3([C@H]1C[C@@H](CC3)C(=C)C(=O)O)C)C(=O)C=C2)C)C(=O)O	0.951	0.829	0.107	0.429	0.938	0.891	0.623	0.836	0.187	0.715	0.403
Compound_451	OC1CC(=O)c2c(C1)cc(c(c2C)C(=O)C)O	0.839	0.569	0.171	0.548	0.054	0.623	0.897	0.201	0.381	0.289	0.66
Compound_452	CC(=CCc1cc2c(cc1O)OCC1C2Oc2c1ccc(c2)O)C	0.505	0.623	0.844	0.711	0.961	0.927	0.54	0.979	0.448	0.595	0.937
Compound_453	C/C=C/C=C/C(=O)c1cc(C)c(c(c1O)C)O	0.907	0.326	0.834	0.588	0.676	0.958	0.162	0.936	0.818	0.961	0.484
Compound_454	CC(=O)OC(CCc1ccc(cc1)O)CCCCc1ccc(c(c1)O)O	0.933	0.602	0.166	0.559	0.972	0.311	0.365	0.72	0.247	0.986	0.5
Compound_455	O=C1O[C@@H]2C([C@H]1C)(O)[C@@]13[C@]4([C@H]2O)C(OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	0.545	0.227	0.013	0.528	0.744	0.652	0.635	0.432	0.361	0.122	0.561
Compound_456	COC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1	0.096	0.605	0.38	0.38	0.052	0.271	0.932	0.496	0.419	0.06	0.045
Compound_457	COc1cc2oc(=O)ccc2cc1C(C(C(O)(C)C)OC(=O)CC(C)C)O	0.688	0.588	0.969	0.499	0.879	0.499	0.931	0.809	0.609	0.435	0.544
Compound_458	O=C1CC2C(C)(C)CCC[C@@]2(c2c1cc(O)c(c2)O)C	0.964	0.6	0.15	0.518	0.971	0.915	0.894	0.897	0.299	0.994	0.751
Compound_459	Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O	0.815	0.92	0.973	0.872	0.904	0.748	0.966	0.939	0.837	0.078	0.974
Compound_460	OC[C@]1(C)[C@@H](O)CC(=O)[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.898	0.86	0.014	0.354	0.948	0.801	0.124	0.26	0.078	0.452	0.085
Compound_461	OC[C@@H]([C@@](C(=O)O)(OC(=O)/C=C/c1ccc(c(c1)O)O)C)O	0.9	0.344	0.033	0.491	0.587	0.057	0.074	0.095	0.251	0.833	0.532
Compound_462	COc1cc2CCN(=O)(C3(c2cc1O)Cc1c(C3O)c2OCOc2cc1)C	0.548	0.789	0.252	0.445	0.417	0.591	0.003	0.188	0.124	0.188	0.506
Compound_463	CCC(C(=O)OC1[C@@H](OC(=O)C)/C(=C\CCC(=C[C@@H]2C1C(=C)C(=O)O2)CO)/CO)C	0.911	0.619	0.285	0.493	0.774	0.499	0.856	0.882	0.862	0.855	0.763
Compound_464	COC1=CC(=O)O[C@H]([C@@H]1O)/C=C/c1ccccc1	0.8	0.662	0.313	0.692	0.308	0.694	0.239	0.919	0.941	0.183	0.102
Compound_465	COc1ccc(cc1O)/C=C/C(=O)O[C@@H]([C@@](C(=O)O)(Cc1ccc(c(c1)O)O)O)C(=O)O	0.819	0.554	0.069	0.523	0.738	0.1	0.586	0.941	0.416	0.595	0.277
Compound_466	C/C=C(/C(=O)O[C@H]1C=C(CO)C(=O)[C@@H]([C@H]1C(C)C)OC(=O)C)\C	0.928	0.434	0.023	0.527	0.291	0.187	0.391	0.886	0.477	0.743	0.725
Compound_467	COc1cc2C(=O)CC3C(c2cc1O)(C)CCC(C3(C)C)O	0.902	0.708	0.015	0.558	0.821	0.767	0.914	0.824	0.162	0.824	0.741
Compound_468	COC(=O)[C@@]1(O)C=CC[C@H]2[C@@]1(C)CC[C@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1	0.778	0.917	0.304	0.617	0.252	0.394	0.991	0.944	0.495	0.318	0.977
Compound_469	Cc1ccc(cc1)c1nc(c(o1)C)CS(=O)CC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F	0.346	0.687	0.75	0.68	0.642	0.614	0.825	0.737	0.408	0.075	0.216
Compound_470	CC(=O)O[C@H]1[C@@H](C)C[C@]2([C@H]1[C@@H](OC(=O)C)C(=C)CC[C@H]1[C@@H](/C=C(/C2=O)\C)C1(C)C)OC(=O)C	0.983	0.645	0.169	0.804	0.778	0.69	0.925	0.997	0.28	0.583	0.831
Compound_471	O[C@H]1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)C1)C	0.982	1.0	0.009	0.825	0.986	0.948	0.423	0.95	0.862	0.928	0.183
Compound_472	C=C1CCC2[C@@]([C@@H]1CCc1cocc1)(C)CCC[C@]2(C)C(=O)O	0.671	0.699	0.187	0.289	0.279	0.599	0.999	0.332	0.211	0.981	0.723
Compound_473	O=C(CCc1ccc(cc1)O)/C=C/CCc1ccc(cc1)O	0.855	0.743	0.552	0.723	0.931	0.995	0.995	0.909	0.816	0.808	0.791
Compound_474	C=C1C(=O)O[C@H]2C1CCC(=C1[C@]2(O)C(=CC1=O)C)C	0.876	0.609	0.152	0.637	0.962	0.343	0.49	0.983	0.769	0.242	0.239
Compound_475	COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O	0.827	0.858	0.964	0.816	0.939	0.778	0.92	0.978	0.378	0.01	0.884
Compound_476	OC(=O)C1=CCCC2C1(C)C(O)CC(C2(C)CCc1cocc1)C	0.802	0.94	0.078	0.324	0.212	0.718	0.981	0.536	0.344	0.999	0.762
Compound_477	O=c1ccc2c(o1)c(OCC1OC1(C)CC1C=C(C(=O)O1)C)c1c(c2)cco1	0.406	0.829	0.525	0.511	0.345	0.591	0.691	0.964	0.562	0.498	0.981
Compound_478	COc1cc2c(cc1OC)OC(C1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C)O	0.673	0.658	0.564	0.552	0.887	0.882	0.624	0.908	0.334	0.161	0.894
Compound_479	OC[C@@H]1Cc2cc(OC)c(cc2[C@@H]([C@H]1CO)c1ccc(c(c1)O)O)O	0.893	0.492	0.179	0.507	0.907	0.453	0.878	0.391	0.121	0.811	0.743
Compound_480	OCC12CCC(C(C2CCC=C1C(=O)O)(C)CCc1ccoc1)C	0.822	0.709	0.084	0.312	0.219	0.649	0.981	0.161	0.301	0.761	0.533
Compound_481	COc1ccc(cc1)C1CC(=O)Oc2c1c(O)cc(c2)O	0.638	0.751	0.54	0.648	0.979	0.714	0.982	0.06	0.453	0.136	0.45
Compound_482	COc1c(OC)cc2c(c1OC)c1c(cc(c(c1OC)OC)OC)C[C@@H]([C@@](C2)(C)O)C	0.414	0.72	0.702	0.625	0.673	0.499	0.878	0.887	0.635	0.299	0.881
Compound_483	COc1ccc2c(c1)c1OC(C)(C)C=Cc1c(=O)[nH]2	0.514	0.752	0.451	0.54	0.436	0.673	0.645	0.367	0.846	0.602	0.5
Compound_484	CC1=CCC(C2(C1C1OC(=O)C(=C)C1CC2)C)O	0.955	0.99	0.058	0.653	0.743	0.735	0.423	1.0	0.808	0.99	0.627
Compound_485	C=C[C@](CC[C@H]1C(=CC(=O)C2[C@]1(C)CCCC2(C)C)C)(O)C	0.976	0.762	0.433	0.651	0.835	0.813	0.2	0.99	0.202	0.999	0.782
Compound_486	OC[C@@]12OC[C@@]32[C@H](O)C[C@H]([C@@]2(C3C[C@@H](C1)O)CC(OC2=O)c1ccoc1)C	0.505	0.67	0.016	0.556	0.603	0.579	0.985	0.161	0.499	0.599	0.455
Compound_487	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@]13C4([C@H]2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C	0.526	0.358	0.004	0.488	0.744	0.652	0.635	0.667	0.359	0.097	0.726
Compound_488	COc1cc2OC(C)(C)C=Cc2c2c1C(=O)C[C@@H](O2)c1ccccc1	0.751	0.726	0.161	0.612	0.918	0.927	0.976	0.716	0.574	0.692	0.967
Compound_489	COC(=O)C=C(CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)O)C	0.956	0.559	0.339	0.393	0.839	0.622	0.833	0.986	0.249	0.848	0.8
Compound_490	OCC1=CCC[C@H]2[C@@]1(CO)[C@H](O)C[C@H]([C@@]12C[C@H](OC1=O)c1cocc1)C	0.76	0.94	0.097	0.63	0.434	0.666	0.983	0.625	0.443	0.895	0.246
Compound_491	OCC1(CO)CC(=O)CC2(C1C(O)CC13C2CC2C(C1)C2(C3)C)C	0.786	0.825	0.051	0.622	0.801	0.8	0.003	0.155	0.22	0.702	0.171
Compound_492	OC[C@]12CCC[C@H]3[C@@]2(CO1)[C@H](O)C[C@H]([C@@]13C[C@@H](OC1=O)c1cocc1)C	0.505	0.678	0.017	0.556	0.559	0.554	0.985	0.168	0.511	0.575	0.433
Compound_493	O[C@H]1[C@H](O)[C@@H](COC2OCC(C(C2O)O)O)O[C@H]([C@@H]1O)OC(=O)C1=C(C)CCCC1(C)C	0.819	0.799	0.141	0.551	0.559	0.778	0.761	0.471	0.804	0.99	0.167
Compound_494	COc1cc(ccc1OC)C1OC(C(C1C)C)c1ccc(cc1)O	0.75	0.602	0.704	0.648	0.915	0.47	0.884	0.06	0.345	0.675	0.894
Compound_495	Oc1ccc(cc1)CC1(O)Oc2c(C1=O)c(O)cc(c2)O	0.505	0.45	0.491	0.607	0.851	0.872	0.981	0.736	0.448	0.867	0.223
Compound_496	COc1ccc(cc1OC)C12CCC(=O)C=C2N(CC1)C	0.497	0.811	0.216	0.187	0.082	0.833	0.038	0.191	0.292	0.029	0.443
Compound_497	Cc1cc(O)c2c(c1)C(=O)OC2c1c(O)cccc1O	0.815	0.661	0.971	0.607	0.79	0.91	0.98	0.56	0.618	0.842	0.231
Compound_498	COc1cc2OCC3C(c2cc1OC)(O)C(=O)c1c(O3)c2CC(Oc2cc1O)C(=C)C	0.647	0.693	0.436	0.522	0.901	0.826	0.79	0.96	0.388	0.067	0.977
Compound_499	CC(=O)O[C@@H]1C[C@@H](C)[C@]([C@@]2(C1C(C)(C)CCC2)C)(O)CCC1=CC(=O)OC1	0.972	0.98	0.507	0.71	0.956	0.808	0.648	0.958	0.949	0.906	0.906
Compound_500	O=C(O[C@@H]1[C@H](O)C[C@@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O	0.881	0.615	0.021	0.409	0.984	0.205	0.385	0.864	0.335	0.763	0.677
Compound_501	O=C1O[C@@H]2C3C1(CCCC3(C)C)c1c(C2=O)cc(c(c1O)O)C(C)C	0.814	0.657	0.211	0.532	0.236	0.438	0.945	0.365	0.413	0.733	0.626
Compound_502	OC(=O)/C=C/C1C(C)(O)C(O)C(C2C1(C)CCCC2(C)C)OC(=O)C	0.96	0.693	0.018	0.387	0.982	0.816	0.931	0.953	0.938	0.129	0.383
Compound_503	COC1=CC(=O)O[C@H](C1)CCc1ccc2c(c1)OCO2	0.908	0.767	0.967	0.625	0.429	0.732	0.825	0.917	0.329	0.528	0.884
Compound_504	OCC1=CC2C3C(C3(OC(=O)C(C)C)C(C(C2(C2C(C1)(O)C(=O)C(=C2)C)O)C)OC(=O)/C(=C/C)/C)(C)C	0.898	0.547	0.114	0.582	0.878	0.513	0.782	0.293	0.459	0.108	0.546
Compound_505	OCC1=CCCC2[C@@]1(C)CC[C@H]([C@]2(C)CCC(CC(=O)O)C)C	0.929	0.642	0.012	0.231	0.775	0.499	0.235	0.502	0.043	0.921	0.296
Compound_506	COc1cc2O[C@@H]3[C@]4(c2c(c1)CN(C)CC4)C=C[C@@H](C3)O	0.69	0.699	0.679	0.198	0.568	0.667	0.005	0.704	0.303	0.01	0.506
Compound_507	OCC1Cc2cc(OC)c(cc2C(C1CO)c1ccc(c(c1)OC)O)O	0.857	0.522	0.19	0.523	0.907	0.453	0.878	0.296	0.331	0.758	0.774
Compound_508	O=C(c1ccccc1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1	0.973	0.687	0.813	0.699	0.953	0.98	0.973	0.679	0.568	0.326	0.97
Compound_509	CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O	0.897	0.499	0.041	0.762	0.353	0.233	0.935	0.135	0.214	0.821	0.738
Compound_510	COc1cc(/C=C/c2cc(O)cc(c2)O)ccc1O	0.832	0.674	0.859	0.736	0.798	0.201	0.882	0.633	0.882	0.737	0.833
Compound_511	COc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O	0.179	0.819	0.187	0.541	0.877	0.456	0.043	0.411	0.32	0.032	0.79
Compound_512	C=CC1(C)CC(C2(C1)CCC1C(C2=O)(C)CCCC1(C)C(=O)O)O	0.831	0.966	0.018	0.319	0.346	0.118	0.128	0.816	0.264	0.968	0.464
Compound_513	Oc1cccc(c1)[C@H]1O[C@@]21C(=O)Nc1c(C(=O)N2C)cccc1	0.617	0.8	0.331	0.463	0.799	0.446	0.765	0.595	0.155	0.167	0.768
Compound_514	O=C1c2ccccc2NC(=O)[C@@]2(N1C)O[C@H]2c1ccccc1	0.431	0.751	0.288	0.447	0.685	0.469	0.717	0.274	0.257	0.046	0.604
Compound_515	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)Oc1ccc(cc1)C(=O)O)c1c(O)cc(c(c1O)C(=O)c1ccc(cc1)O)O	0.719	0.55	0.281	0.488	0.987	0.943	0.826	0.564	0.446	0.035	0.647
Compound_516	C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)C([C@@]2([C@@H]1C(C)(C)CCC2)C)(O)C(=O)O	0.935	0.714	0.017	0.321	0.823	0.857	0.239	0.921	0.551	0.043	0.575
Compound_517	Oc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O	0.447	0.518	0.462	0.549	0.925	0.939	0.563	0.014	0.836	0.219	0.227
Compound_518	OCC1(O)CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C	0.732	0.824	0.026	0.226	0.923	0.86	0.471	0.291	0.046	0.259	0.057
Compound_519	O=C1C[C@]23C=CCN4C3[C@@]3(N1c1cc5OCOc5cc1C3CC4)CC2	0.72	0.675	0.834	0.293	0.519	0.622	0.03	0.366	0.363	0.045	0.319
Compound_520	CC(CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(C(/C=C/C2=O)O)O)C)C	0.536	0.749	0.443	0.433	0.216	0.854	0.017	0.777	0.403	0.126	0.459
Compound_521	O=C1O[C@H]2[C@@H](C1=C)CC1[C@](C2)(C)[C@H](O)CCC1=C	0.934	0.98	0.068	0.686	0.787	0.632	0.637	0.935	0.645	0.992	0.519
Compound_522	CC(=O)NCCc1ccc(cc1)O	0.049	0.332	0.12	0.333	0.036	0.396	0.001	0.078	0.454	0.0	0.005
Compound_523	O=C1N2CCC[C@]32C[C@@H]2[C@@]1(NC3=O)C[C@@]1(O)c3ccc4c(c3N=C1C2(C)C)C=CC(O4)(C)C	0.759	0.687	0.182	0.533	0.585	0.625	0.609	0.856	0.396	0.936	0.633
Compound_524	OCCCCCCC(C(=C)C(=O)O)C(=O)O	0.936	0.294	0.06	0.222	0.422	0.071	0.654	0.543	0.271	0.251	0.81
Compound_525	Cc1cc(O)c(c(c1)O)Oc1cc(C)cc(c1O)O	0.877	0.715	0.862	0.607	0.879	0.136	0.834	0.778	0.907	0.837	0.698
Compound_526	OC1C(CCC(=O)c2cccc(c2)C(=O)O)OC(C1O)n1cnc2c1[nH]cnc2=O	0.577	0.648	0.017	0.441	0.085	0.399	0.042	0.311	0.189	0.319	0.32
Compound_527	O=Cc1ccc(cc1)NC1CC(=O)OC1/C=C/C(O)C	0.451	0.372	0.062	0.432	0.218	0.422	0.06	0.968	0.406	0.247	0.166
Compound_528	O=Cc1c(C)cc(c(c1O)Cc1c(O)cc(c(c1O)C)C)O	0.805	0.74	0.247	0.607	0.846	0.991	0.926	0.961	0.94	0.821	0.216
Compound_529	Oc1cc(O)c(c(c1)O)C(=O)CCCCCCCCc1ccccc1	0.915	0.648	0.548	0.592	0.954	0.99	0.969	0.752	0.37	0.959	0.567
Compound_530	CCCC(=O)c1c(OC)cc(c(c1O)CCO)O	0.486	0.306	0.801	0.51	0.611	0.861	0.44	0.284	0.379	0.071	0.105
Compound_531	C/C=C(/C(=O)OC(C(O)(C)C)C(c1cc2ccc(=O)oc2cc1OC)O)\C	0.713	0.581	0.954	0.602	0.88	0.499	0.931	0.942	0.845	0.276	0.9
Compound_532	Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1C1C(Oc2c(C1=O)c(O)cc(c2)O)c1ccc(cc1)O)O	0.438	0.763	0.645	0.657	0.997	0.958	0.989	0.588	0.461	0.024	0.929
Compound_533	OC[C@H]1O[C@H]([C@@H]([C@@H]1OC(=O)c1c(C)cc(cc1OC)O)O)n1ccc(=O)[nH]c1=O	0.73	0.471	0.118	0.388	0.481	0.556	0.416	0.07	0.291	0.036	0.649
Compound_534	COc1cc(O)c(c(c1C(=O)/C=C/c1ccccc1)O)Cc1cccc(c1O)O	0.864	0.628	0.821	0.776	0.987	0.923	0.572	0.971	0.691	0.61	0.28
Compound_535	CC(=CCc1c2OC(Cc2cc2c1oc(=O)cc2)C(O)(C)C)C	0.591	0.758	0.87	0.682	0.39	0.41	0.936	0.932	0.738	0.93	0.937
Compound_536	OCC1=C2CC3(C)C(=O)OC4C3C(C2(C)C(=O)CC2=C1CC(=O)OC2(C)C)C(=O)C(O4)C	0.902	0.96	0.029	0.502	0.149	0.414	0.442	0.872	0.453	0.269	0.227
Compound_537	CCCCCC(=O)OC1C=C2COC(=O)C2(C2(C1C(C)(C)CCC2O)C)O	0.922	0.913	0.069	0.73	0.752	0.713	0.376	0.904	0.396	0.092	0.334
Compound_538	CC(=CCc1cc2C3Oc4c(C3COc2c(c1O)CC=C(C)C)ccc(c4)O)C	0.466	0.649	0.577	0.699	0.961	0.927	0.54	0.977	0.511	0.955	0.981
Compound_539	O=C(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)OC(=O)/C=C/c2ccccc2)O)[C@H]([C@@H]([C@H]1O)O)O)/C=C/c1ccccc1	0.739	0.462	0.054	0.524	0.548	0.868	0.742	0.188	0.541	0.136	0.545
Compound_540	O=C1C=CC(C=C1)(O)CC(=O)OC[C@H]1O[C@@H](OC(=O)CC2(O)C=CC(=O)C=C2)[C@@H]([C@H]([C@@H]1O)O)OC(=O)Cc1ccccc1	0.573	0.519	0.348	0.695	0.633	0.78	0.884	0.97	0.511	0.145	0.556
Compound_541	COc1cc2oc(=O)ccc2c(c1OC)OC	0.679	0.635	0.951	0.645	0.569	0.11	0.309	0.149	0.906	0.087	0.85
Compound_542	COc1ccc2c(c1C(C(C(=C)C)O)O)oc(=O)cc2	0.298	0.801	0.864	0.533	0.284	0.234	0.454	0.872	0.436	0.122	0.6
Compound_543	O=c1ccc2c(o1)c1CC(Oc1cc2)C(O)(C)C	0.706	0.649	0.955	0.577	0.81	0.404	0.18	0.475	0.666	0.258	0.707
Compound_544	COc1c2OC(C)(C)C=Cc2cc2c1oc(=O)cc2	0.636	0.742	0.532	0.734	0.172	0.622	0.162	0.839	0.84	0.362	0.789
Compound_545	Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O	0.505	0.788	0.39	0.59	0.961	0.952	0.98	0.423	0.302	0.464	0.892
Compound_546	CC(=O)OC[C@@]12[C@@H](OC(=O)C)C[C@H]([C@]([C@H]1CCC[C@@]12CO1)(C)[C@H]1OC2C(C1)C=CO2)C	0.83	0.804	0.026	0.66	0.939	0.711	0.989	0.94	0.847	0.997	0.992
Compound_547	OC1C(=CC(C(C1OC(=O)c1ccccc1)O)Cl)COC(=O)c1ccccc1	0.845	0.508	0.8	0.762	0.717	0.854	0.206	0.853	0.651	0.408	0.81
Compound_548	COc1c2C=CC(Oc2c(c2c1ccc(=O)o2)OC)(C)C	0.714	0.742	0.472	0.732	0.108	0.615	0.77	0.715	0.766	0.362	0.789
Compound_549	COc1cc2C[C@@](O)(CO)[C@@H]([C@H](c2cc1O)c1ccc(c(c1)OC)O)CO	0.7	0.608	0.207	0.517	0.932	0.309	0.706	0.293	0.301	0.513	0.538
Compound_550	COC1C=C(COC(=O)c2ccccc2)C(C(C1O)OC(=O)c1ccccc1)O	0.815	0.58	0.483	0.589	0.608	0.737	0.264	0.917	0.658	0.305	0.551
Compound_551	CC(CCCC(c1ccc(cc1O)C(=O)O)(O)C)C	0.545	0.324	0.44	0.404	0.448	0.295	0.094	0.512	0.18	0.494	0.023
Compound_552	Oc1ccc2c(c1)O[C@H]([C@@H](C2=O)O)c1ccc(c(c1)O)O	0.261	0.794	0.101	0.563	0.871	0.453	0.21	0.104	0.263	0.264	0.738
Compound_553	C/C=C(/C(=O)O[C@@H]1[C@@H](C(C)C)[C@@H](OC(=O)C)C=C(C1=O)CO)\C	0.91	0.434	0.023	0.527	0.291	0.187	0.391	0.886	0.445	0.743	0.725
Compound_554	CCCC(CC1CC(O)/C=C/C(C(C(C(=O)O1)(C)C)O)O)O	0.94	0.453	0.185	0.578	0.78	0.499	0.874	0.976	0.496	0.983	0.298
Compound_555	OC/C(=C\C[C@H]1C(=C)CCC2[C@]1(C)CCCC2(C)C)/C(=O)C(=O)O	0.886	0.629	0.165	0.406	0.788	0.562	0.832	0.69	0.129	0.081	0.759
Compound_556	COc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)O)O	0.392	0.783	0.561	0.606	0.956	0.65	0.331	0.458	0.295	0.039	0.732
Compound_557	CCC(CC(=O)OC1C(C(C)C)C(O)C=C(C1=O)CO)C	0.936	0.437	0.021	0.527	0.253	0.136	0.398	0.801	0.368	0.667	0.703
Compound_558	CC(=CCc1c(O)cc(c2c1O[C@@H](c1ccc(cc1)O)[C@@H](C2=O)O)O)C	0.362	0.768	0.312	0.677	0.895	0.903	0.406	0.946	0.377	0.101	0.42
Compound_559	NC(=O)CCC(N1Cc2c(C1=O)cc(c1c2OC2(C1)C(C)CCC1C2(C)CCC(C1(C)C)O)O)C(=O)O	0.628	0.757	0.02	0.266	0.483	0.877	0.971	0.076	0.349	0.725	0.611
Compound_560	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O)O	0.803	0.878	0.982	0.866	0.863	0.742	0.944	0.986	0.914	0.096	0.948
Compound_561	CO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(=C\[C@H]([C@@H]1O)C)/C)[C@@H](C(=O)CCCC1CC(=O)NC(=O)C1)C	0.793	0.586	0.023	0.436	0.212	0.871	0.844	0.978	0.795	0.494	0.352
Compound_562	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC2=CC(C1)OC2=O)OC(=O)C(=C)C	0.891	0.656	0.053	0.538	0.56	0.462	0.991	0.991	0.799	0.98	0.652
Compound_563	CCCCCC=CCC=CC(CC(CCCCC(=O)O)O)O	0.887	0.133	0.164	0.117	0.474	0.097	0.631	0.614	0.075	0.972	0.108
Compound_564	COc1cc(CCc2ccc(c(c2)OC)O)cc(c1)O	0.704	0.596	0.763	0.676	0.95	0.282	0.777	0.385	0.534	0.628	0.528
Compound_565	CC(CC(=O)OCC(=C)C1Cc2c(O1)ccc(c2)C(=O)C)C	0.654	0.385	0.909	0.655	0.337	0.855	0.994	0.982	0.613	0.991	0.908
Compound_566	COc1cc2cc(CC(C(Cl)Cl)O)oc(=O)c2c(c1)OC	0.733	0.631	0.752	0.551	0.751	0.774	0.679	0.769	0.579	0.658	0.755
Compound_567	CCC=CC[C@@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O	0.961	0.384	0.258	0.239	0.691	0.035	0.8	0.053	0.07	0.949	0.095
Compound_568	COc1c(ccc2c1C(=O)OCc1c(O2)c(O)cc(c1)C)C(OC(=O)C)CC(C)C	0.723	0.647	0.989	0.609	0.936	0.543	0.387	0.562	0.712	0.062	0.821
Compound_569	COc1cc(OC)c(c(c1)OC)C(=O)/C=C/c1ccc(c(c1)OC)OC	0.837	0.664	0.927	0.84	0.774	0.815	0.915	0.82	0.589	0.721	0.935
Compound_570	CC/C=C/CC1=C(CCCCCCCC(=O)O)CCC1=O	0.932	0.412	0.212	0.21	0.567	0.048	0.978	0.335	0.077	0.94	0.373
Compound_571	CCCCCCCCCC[C@@H]([C@@]1(CCC(=O)O1)C(=O)O)C(=O)O	0.548	0.534	0.073	0.266	0.112	0.087	0.988	0.335	0.418	0.274	0.465
Compound_572	OC[C@H]1O[C@@H](Oc2ccc(cc2)COC(=O)C(C(CC)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.232	0.586	0.039	0.552	0.35	0.249	0.642	0.396	0.262	0.809	0.03
Compound_573	Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1	0.929	0.854	0.987	0.884	0.953	0.873	0.908	0.992	0.735	0.014	0.825
Compound_574	O=C(c1ccccc1)O[C@H]1C[C@@H](CC[C@]1(C)O)C(=C)C	0.749	0.675	0.057	0.604	0.516	0.802	0.599	0.751	0.605	0.915	0.383
Compound_575	COc1cc(O[C@@H]2O[C@H](COC3OCC(C(C3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c1OC)OC	0.384	0.493	0.15	0.471	0.697	0.336	0.132	0.147	0.596	0.694	0.332
Compound_576	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O	0.772	0.428	0.081	0.518	0.582	0.396	0.752	0.965	0.262	0.23	0.469
Compound_577	COC(=O)C[C@H]1C(=CCOC(=O)/C=C/c2ccccc2)[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.685	0.639	0.043	0.502	0.288	0.822	0.844	0.673	0.446	0.755	0.609
Compound_578	CC(/C=C/C1(O)C2(C)COC1(C)CC(C2)O)O	0.95	0.73	0.03	0.73	0.89	0.461	0.716	0.648	0.781	0.806	0.677
Compound_579	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2C(=C[C@H]3O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)OC(=O)/C=C/c2ccc(c(c2)O)OC)CO)[C@@H]([C@H]([C@@H]1O)O)O	0.751	0.569	0.019	0.566	0.941	0.552	0.434	0.421	0.57	0.386	0.396
Compound_580	CCC(CC(=O)OC1C(C(C)C)C(OC(=O)C)C=C(C1=O)CO)C	0.908	0.423	0.011	0.482	0.291	0.187	0.391	0.741	0.403	0.794	0.767
Compound_581	O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1ccc2c(c1c1c(O)ccc3c1oc(=O)c(c3)Oc1ccc3c(c1)oc(=O)cc3)oc(=O)cc2	0.643	0.763	0.246	0.534	0.518	0.685	0.922	0.403	0.721	0.076	0.785
Compound_582	OC[C@H]1O[C@@H](Oc2ccc(cc2)COC(=O)C(CC(=O)OCc2ccc(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CC(=O)OCc2ccc(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.308	0.591	0.049	0.521	0.956	0.811	0.784	0.597	0.499	0.569	0.799
Compound_583	C/C=C(/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@@H]([C@@H](O)C)O)\C	0.817	0.457	0.208	0.557	0.778	0.548	0.298	0.982	0.855	0.692	0.621
Compound_584	OCC1OC(OCC2OC(OC(=O)C34CCC(C(C4C4=CCC5C(C4(CC3)C)(C)CCC3C5(C)CCC(C3(C)C)OC3OCC(C(C3O)O)O)O)(C)C)C(C(C2O)O)O)C(C(C1O)O)O	0.781	0.96	0.007	0.518	0.984	0.871	0.654	0.807	0.725	0.874	0.018
Compound_585	OCC1OC(OC2C(O)C(OC(C2O)C(=O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2(C3CC(C)(C)CC2)C(=O)OC2OC(CO)C(C(C2O)O)O)C)C)C(C(C1O)O)O	0.702	0.96	0.0	0.495	0.968	0.854	0.714	0.494	0.501	0.819	0.124
Compound_586	C#CCCCCCCCCCCCC(CC(COC(=O)C)O)O	0.904	0.132	0.038	0.561	0.213	0.581	0.817	0.413	0.532	0.634	0.184
Compound_587	OCCC[C@@H](C1=C(C)C[C@@H]2[C@H]([C@@H]1OC(=O)C(C)C)C(=C)C(=O)O2)C	0.941	0.707	0.039	0.551	0.411	0.433	0.929	0.876	0.362	0.643	0.846
Compound_588	CCCC1OC(=O)C(CC/C=C/C(C1O)O)OC(=O)/C=C/C=C/C	0.966	0.23	0.045	0.563	0.55	0.608	0.646	0.977	0.416	0.514	0.317
Compound_589	OCC1(C)CCCC2(C1C(OC(=O)c1ccccc1)CC1C2(O)COC1=O)C	0.637	0.83	0.069	0.683	0.904	0.895	0.988	0.115	0.595	0.259	0.629
Compound_590	COC1CC(=O)C23C(=O)NC(C3C(C(=CC2/C=C(/CCCC1O)\C)C)C)CC(C)C	0.36	0.875	0.246	0.483	0.193	0.683	0.101	0.946	0.406	0.185	0.73
Compound_591	COC(=O)C1=CC(C(C(C1)OC(C(=O)O)C)O)O	0.812	0.511	0.023	0.394	0.33	0.218	0.082	0.996	0.173	0.179	0.32
Compound_592	OC1C(O)C(CCC1c1ccccc1)c1ccccc1	0.487	0.548	0.076	0.497	0.655	0.769	0.902	0.155	0.089	0.367	0.183
Compound_593	COc1ccc2c(c1)O[C@H]1[C@](C2=O)(O)c2cc(OC)c(cc2OC1)OC	0.398	0.712	0.356	0.579	0.914	0.76	0.55	0.784	0.342	0.02	0.979
Compound_594	CCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)C	0.421	0.513	0.139	0.594	0.148	0.192	0.505	0.22	0.619	0.832	0.054
Compound_595	C/C=C(\C(=O)OC(c1cc(OC)c2c(c1)OCO2)C(OC(=O)C1(C)OC1C)C)/C	0.844	0.519	0.921	0.633	0.796	0.434	0.99	0.969	0.585	0.7	0.981
Compound_596	CC(=O)OC[C@]12C[C@H](O)C(=C[C@H]1O[C@H]1[C@@]3([C@]2(C)[C@H](O)[C@H]1O)OC3)C	0.963	0.78	0.01	0.653	0.96	0.703	0.265	0.992	0.801	0.986	0.583
Compound_597	COC(=O)CC(CC(/C=C/c1c(C)ccc2c1C(CC(C2)C)OC(=O)C)O)O	0.893	0.642	0.326	0.611	0.588	0.342	0.353	0.995	0.465	0.51	0.559
Compound_598	COC(=O)C1(C)OC(=O)C2C(C1=O)(C)C(=C)CC1C2(C)C(OC(=O)C)C(OC(=O)C)C2C1(C)C(O)CC(=O)C2(C)C	0.812	0.746	0.013	0.493	0.794	0.623	0.866	0.92	0.418	0.536	0.685
Compound_599	COC(=O)[C@]1(Cc2ccc(c(c2)CC=C(C)C)O)OC(=O)C(=C1c1ccc(cc1)O)O	0.795	0.803	0.183	0.606	0.676	0.946	0.393	0.995	0.463	0.865	0.993
Compound_600	CCCCCCCC1OC(=O)CCC(/C=C/C(C1O)O)O	0.969	0.325	0.167	0.661	0.705	0.524	0.702	0.942	0.398	0.981	0.314
Compound_601	COc1cc(ccc1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O	0.844	0.694	0.168	0.583	0.948	0.175	0.879	0.031	0.339	0.897	0.994
Compound_602	C/C(=C\CC)/C(C(C(=O)N)C)O	0.048	0.207	0.003	0.441	0.096	0.022	0.146	0.87	0.214	0.297	0.609
Compound_603	OC1C=C2COC(=O)C2(C2(C1C(C)(C)C(O)CC2)C)O	0.911	0.968	0.291	0.732	0.694	0.54	0.254	0.97	0.478	0.844	0.079
Compound_604	O[C@@H]1C[C@@H](C[C@H](O)C(=C)[C@@H](CCC1=C)O)C(=C)C	0.949	0.447	0.113	0.506	0.531	0.3	0.667	0.747	0.375	0.682	0.494
Compound_605	CC(=CC[C@]12O[C@H]1[C@H](O)C1=C([C@@H]2O)CO[C@H]([C@@H]1O)C)C	0.962	0.816	0.038	0.59	0.909	0.635	0.147	0.824	0.808	0.905	0.23
Compound_606	CC(=O)OCC=C(C(CC1C(=C)C(OC(=O)C)C(=O)C2C1(C)CCC(C2(C)C)OC(=O)C)OC(=O)C)C	0.946	0.733	0.312	0.573	0.587	0.484	0.344	0.994	0.498	0.95	0.728
Compound_607	C#CCCCCCCCCCCCC(CC(CO)O)O	0.94	0.274	0.051	0.434	0.182	0.612	0.932	0.042	0.16	0.099	0.192
Compound_608	CS[C@]12CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@](N(C1=O)C)(SC)CO)O	0.603	0.612	0.187	0.599	0.247	0.365	0.004	0.825	0.319	0.543	0.458
Compound_609	C/C=C(/C(=O)OC1c2c(ccc3c2oc(=O)cc3)OC(C1OC(=O)C)(C)C)\C	0.778	0.616	0.953	0.652	0.546	0.188	0.872	0.986	0.928	0.479	0.922
Compound_610	CC(=O)OC1CC2C(C1=C)C1OC(=O)C(=C)C1CCC2=C	0.921	0.563	0.545	0.555	0.709	0.164	0.985	0.938	0.773	0.998	0.919
Compound_611	COC(c1c(OC)ccc2c1oc(=O)cc2)C(C(=C)C)O	0.675	0.796	0.829	0.588	0.83	0.487	0.867	0.944	0.45	0.13	0.631
Compound_612	CC1=CCCC2=CC(OC2=O)C/C(=C/C2C(CC1)C(=C)C(=O)O2)/C	0.892	0.754	0.352	0.546	0.435	0.14	0.992	0.982	0.677	0.999	0.798
Compound_613	C=CCc1cc(OC)c(c(c1)OC)OC(C(c1ccc(c(c1)OC)O)O)C	0.45	0.611	0.286	0.473	0.937	0.157	0.127	0.962	0.362	0.851	0.724
Compound_614	COC(=O)C1C(c2ccc(cc2)O)C(C1c1ccc(cc1)O)C(=O)OC	0.723	0.706	0.67	0.609	0.972	0.671	0.99	0.329	0.394	0.064	0.591
Compound_615	CC(C(c1ccc2c(c1)c(C)c(o2)c1ccc2c(c1)OCO2)O)O	0.107	0.592	0.706	0.582	0.539	0.776	0.16	0.743	0.521	0.961	0.91
Compound_616	COc1cc(ccc1O)CC(C(C(=O)O)(Cc1ccc(c(c1)OC)O)O)CO	0.551	0.551	0.019	0.305	0.802	0.062	0.504	0.258	0.218	0.303	0.272
Compound_617	CCCCCC([C@@H]1[C@H](CO)COC1=O)O	0.785	0.515	0.008	0.653	0.128	0.06	0.686	0.136	0.416	0.757	0.043
Compound_618	C=C[C@@](O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)(CC[C@@]1(C)[C@H](C)C[C@@H]([C@@]2([C@@H]1CCC=C2C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O)C	0.773	0.951	0.012	0.6	0.983	0.867	0.745	0.927	0.897	0.917	0.52
Compound_619	OC[C@H]1O[C@@H](Oc2cccc(c2O)c2cc(=O)c3c(o2)c(OC)c(cc3O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.611	0.616	0.215	0.621	0.941	0.489	0.172	0.828	0.435	0.041	0.85
Compound_620	O=c1ccc2c(o1)cc(cc2)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.556	0.376	0.831	0.5	0.78	0.555	0.949	0.088	0.704	0.832	0.738
Compound_621	COc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC(=O)CC(CC(=O)O)(O)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O)c1ccc(cc1)O	0.772	0.762	0.022	0.499	0.942	0.846	0.899	0.37	0.491	0.447	0.572
Compound_622	OC[C@H]1O[C@@H](Oc2cc3O[C@H]([C@@H](Cc3c(c2)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.089	0.499	0.116	0.554	0.915	0.83	0.394	0.654	0.432	0.195	0.364
Compound_623	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)OC)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.462	0.403	0.08	0.55	0.866	0.701	0.093	0.443	0.511	0.418	0.389
Compound_624	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O)O)c1cc(O)c(c(c1)O)O	0.792	0.763	0.73	0.631	0.964	0.688	0.343	0.51	0.592	0.076	0.523
Compound_625	OCC1OC(OC(/C=C/C2(O)C(C)(C)CC(CC2(C)O)O)C)C(C(C1O)O)O	0.8	0.649	0.246	0.603	0.899	0.825	0.675	0.192	0.822	0.623	0.11
Compound_626	OC[C@H]1O[C@@H](OCC2=CC(=O)C3=C(C)C[C@@H]([C@@H]4[C@@H]([C@@H]23)OC(=O)[C@@H]4C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.694	0.575	0.014	0.585	0.826	0.455	0.687	0.45	0.549	0.623	0.011
Compound_627	CCC(C(=O)O[C@H]1[C@@H](OC(=O)c2ccoc2)C[C@]([C@@]23[C@]1(COC(=O)C)[C@@H](OC(=O)c1ccoc1)C[C@H]([C@H]3OC(=O)C)C(O2)(C)C)(C)O)C	0.51	0.834	0.029	0.502	0.765	0.7	0.992	0.026	0.68	0.318	0.95
Compound_628	OC[C@H]1O[C@@H](OCC2=CC(=O)C3=C(C)CC[C@@H]4[C@@H]([C@@H]23)OC(=O)[C@@H]4C)[C@@H]([C@H]([C@@H]1O)O)O	0.676	0.632	0.04	0.504	0.826	0.455	0.687	0.079	0.556	0.626	0.038
Compound_629	OC[C@H]1O[C@@H](OC2CC3CCC4C(C3(CC2O)C)CCC2(C4CC3C2C(C(O3)(O)CCC(CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.681	0.824	0.002	0.492	0.983	0.859	0.421	0.121	0.824	0.843	0.418
Compound_630	CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)C)C[C@H]([C@@]32OC([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)c1ccccc1)[C@H]3OC(=O)C)(C)C)C	0.825	0.717	0.021	0.661	0.964	0.949	0.997	0.096	0.855	0.142	0.927
Compound_631	CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)C[C@@H]3[C@H]([C@]2(OC3(C)C)[C@@](C[C@@H]([C@@H]1OC(=O)c1ccoc1)OC(=O)c1ccoc1)(C)O)OC(=O)C	0.521	0.824	0.029	0.521	0.79	0.653	0.992	0.028	0.764	0.147	0.923
Compound_632	CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C[C@H]([C@@]32OC([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)c1ccccc1)[C@H]3OC(=O)C)(C)C)C	0.825	0.717	0.021	0.661	0.987	0.955	0.996	0.096	0.855	0.142	0.927
Compound_633	OCC1OC(OCCc2ccc(c(c2)O)O)C(C(C1OC(=O)/C=C/c1ccc(c(c1)O)O)OC1OC(C)C(C(C1OC1OCC(C(C1O)O)O)O)O)O	0.776	0.441	0.006	0.492	0.988	0.76	0.356	0.443	0.35	0.835	0.107
Compound_634	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)OC1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O	0.793	0.463	0.036	0.624	0.942	0.58	0.356	0.44	0.432	0.718	0.243
Compound_635	O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O	0.788	0.582	0.542	0.592	0.998	0.78	0.238	0.108	0.615	0.021	0.733
Compound_636	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)OC(=O)/C=C/c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.74	0.539	0.012	0.589	0.945	0.689	0.967	0.167	0.734	0.566	0.357
Compound_637	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)/C=C/c2ccccc2)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.737	0.53	0.016	0.57	0.94	0.687	0.972	0.152	0.593	0.878	0.828
Compound_638	OCC(C1CC(C(C1COC(=O)CC1/C(=C/C)/C(OC=C1C(=O)OC)OC1OC(CO)C(C(C1O)O)O)C)OC(=O)CC1C(=CC)C(OC=C1C(=O)OC)OC1OC(CO)C(C(C1O)O)O)CO	0.616	0.666	0.005	0.583	0.766	0.671	0.928	0.674	0.724	0.732	0.888
Compound_639	OCC1OC(OC(=O)/C(=C/CC[C@H]([C@H]2CC([C@@]3([C@]2(C)C(O)C[C@@]24C3CC[C@@H]3[C@]4(C2)CC[C@@H](C3(C)C)O[C@@H]2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)C)O)C)/C)C(C(C1O)O)O	0.84	0.98	0.008	0.637	0.994	0.867	0.937	0.669	0.732	0.878	0.33
Compound_640	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]([C@@H]2OC(=O)/C=C/c2ccc(cc2)OC)C)O[C@H]2C3C=CO[C@H](C3[C@@]3([C@H]2O3)CO)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.743	0.539	0.003	0.59	0.953	0.686	0.967	0.174	0.734	0.566	0.357
Compound_641	CCCC[C@H]([C@H]([C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](C[C@@H](CCCCC(C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C	0.147	0.162	0.003	0.235	0.164	0.151	0.009	0.257	0.511	0.076	0.171
Compound_642	CCC([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C	0.171	0.337	0.115	0.508	0.059	0.152	0.046	0.332	0.399	0.353	0.117
Compound_643	O=C1NCC(=O)NCC(=O)NC(CCCN(C(=O)C)O)C(=O)NC(C(=O)NC(C(=O)NC1)CCCN(C(=O)C)O)CCCN(C(=O)C)O	0.111	0.458	0.018	0.295	0.17	0.397	0.005	0.217	0.369	0.104	0.682
Compound_644	CC(CC1OC(=O)C2CCCN2C(=O)CCNC(=O)C(NC(=O)C(N(C(=O)C(N(C1=O)C)C(C)C)C)C(C)C)Cc1ccccc1)C	0.802	0.634	0.355	0.27	0.01	0.104	0.102	0.427	0.406	0.08	0.291
Compound_645	OCC1OC(OC/C=C(/CCC=C(CCC(C(CCCC(CCCC(CCCC(CCCC(CCCC(CCCC(O)(C)C)(O)C)(O)C)(O)C)(O)C)(O)C)(O)C)O)C)\C)C(C(C1O)O)O	0.788	0.577	0.054	0.412	0.595	0.55	0.757	0.312	0.593	0.849	0.161
Compound_646	OC[C@H]1O[C@@H](OC/C=C(/CC/C=C(/CCC(C(CCCC(CCCC(CCCC(CCCC(CCCC(CCC=C(C)C)(O)C)(O)C)(O)C)(O)C)(O)C)(O)C)O)\C)\C)[C@@H]([C@H]([C@@H]1O)O)O	0.788	0.577	0.054	0.402	0.595	0.55	0.757	0.305	0.562	0.849	0.161
Compound_647	O=C1CCCNC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N1)C)C(C)C)C(c1ccccc1)C)C(C)C)Cc1c[nH]c2c1cccc2	0.546	0.586	0.338	0.326	0.481	0.696	0.993	0.646	0.397	0.599	0.861
Compound_648	CCCCCC(CC(CC(=O)OCC(C(C(C(CO)O)O)O)O)O)OC(=O)CC(CC(OC(=O)CC(CC(CCCCC)O)O)CCCCC)O	0.747	0.233	0.009	0.628	0.548	0.15	0.785	0.4	0.134	0.642	0.44
Compound_649	CCC(C1NC(=O)C2CCCN2C(=O)C(OC(=O)CCNC(=O)C(N(C(=O)C(N(C1=O)C)C(C)C)C)C)CC(C(=O)O)C)C	0.125	0.526	0.011	0.348	0.053	0.173	0.021	0.395	0.386	0.099	0.215
Compound_650	OC/C(=C\CC/C(=C/CC/C(=C/CC1(O)C(=O)c2c(O)cc(c3c2c(C1=O)c(O)c(c3O)C)C)/C)/C)/CCC(C(O)(C)C)O	0.611	0.738	0.275	0.531	0.349	0.906	0.429	0.869	0.435	0.06	0.905
Compound_651	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)CC3C(=CCC4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H](C3[C@](C(=O)CCC(=C)C)(O)C)O)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.678	1.0	0.014	0.612	0.819	0.88	0.219	0.339	0.437	0.183	0.222
Compound_652	CCCCCOc1ccc(cc1OC)C1N(CCc2ccccc2)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)O	0.571	0.776	0.912	0.456	0.029	0.677	0.874	0.885	0.403	0.174	0.689
Compound_653	CC[NH+](CCN(c1sc2c(n1)c(C)cc(c2)C)C(=O)CCc1ccccc1)CC	0.346	0.666	0.956	0.444	0.407	0.886	0.949	0.858	0.437	0.939	0.242
Compound_654	OC[C@H]1O[C@@H](Oc2ccc(cc2)CCC(O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.286	0.456	0.034	0.489	0.374	0.509	0.699	0.656	0.254	0.299	0.014
Compound_655	OCC1OC(OC2C(OC(=O)C)CC3(C(C2(C)C)CCC2C3=CCC3(C2(C)CCC2(C3C(O)C(C2C(C)C)O)C)C)C)C(C(C1O)O)O	0.819	1.0	0.012	0.544	0.968	0.859	0.291	0.367	0.892	0.478	0.042
Compound_656	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.729	0.461	0.082	0.636	0.952	0.651	0.172	0.662	0.344	0.075	0.78
Compound_657	OCCC[C@H](C1=C(C)C[C@H]2[C@@H]([C@H]1OC(=O)C(CC)C)[C@@]1(C[C@@]34C([C@@H]1C(=C4C[C@@H]1[C@@H](C[C@H]3C)OC(=O)C1=C)C)OC(=O)C)C(=O)O2)C	0.919	0.99	0.143	0.622	0.812	0.638	0.517	0.936	0.33	0.936	0.773
Compound_658	OC[C@H]1O[C@H](OC23CC(C)(O)C(C(=O)C3(O)C3=C(C=C2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2S)O)O)C(=O)c2c(C3=O)cccc2O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.635	0.619	0.092	0.53	0.901	0.84	0.896	0.44	0.58	0.837	0.128
Compound_659	OC[C@H]1O[C@@H](Oc2cc(ccc2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2cc(=O)c3c(o2)cc(cc3O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.626	0.467	0.35	0.659	0.967	0.828	0.266	0.511	0.472	0.455	0.851
Compound_660	OC[C@H]1O[C@@H](Oc2cc3oc(c4ccc(c(c4)OC)O)c(c(=O)c3c(c2OC)O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.698	0.65	0.157	0.639	0.888	0.402	0.172	0.914	0.417	0.089	0.959
Compound_661	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO	0.454	0.491	0.053	0.428	0.626	0.436	0.801	0.265	0.434	0.716	0.214
Compound_662	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CC(C3C2=CC(=O)OC2)O)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.919	0.97	0.003	0.716	0.932	0.735	0.911	0.604	0.851	0.446	0.486
Compound_663	OC[C@H]1O[C@@H](OC2OC=C(C(/C/2=C/C)CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)OC(=O)CC2C(=CC)C(OC=C2C(=O)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.663	0.66	0.053	0.562	0.723	0.687	0.962	0.61	0.692	0.792	0.812
Compound_664	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O)O	0.781	0.679	0.236	0.679	0.966	0.884	0.865	0.034	0.732	0.038	0.406
Compound_665	COc1cc(O)c2c(c1OC(=O)C)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	0.738	0.854	0.116	0.698	0.886	0.251	0.202	0.883	0.371	0.124	0.826
Compound_666	OC[C@H]1O[C@@H](Oc2cc(OC)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.398	0.122	0.462	0.539	0.209	0.085	0.292	0.565	0.185	0.306
Compound_667	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C(O[C@@H]([C@H]2O)C(=O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.637	0.96	0.001	0.477	0.903	0.857	0.714	0.348	0.391	0.258	0.19
Compound_668	OCCCc1cc2C(CO)C(Oc2c(c1)O)c1ccc(c(c1)OC)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O	0.48	0.604	0.007	0.471	0.812	0.522	0.046	0.447	0.353	0.159	0.244
Compound_669	O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)OC1CCC23C(C1(C)C)CC=C1C3(C2)CCC2(C1(C)C(O)C13C2C(C)CC(O1)C(O3)C(O)(C)C)C	0.874	0.99	0.006	0.509	0.949	0.779	0.415	0.889	0.397	0.826	0.205
Compound_670	O=C(CC(CC(=O)O)(O)C)OC1CC2(C)C3=C(CCC2C(C1O)(C)C)C1(C(C(C3)O)(C)C(CC1)C(CCC(C(O)(C)C)O)C)C	0.874	1.0	0.007	0.351	0.94	0.851	0.159	0.554	0.511	0.454	0.117
Compound_671	COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC(CC(=O)CCc3ccc(c(c3)O)O)CCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2O)O)O)ccc1OC	0.831	0.657	0.131	0.686	0.957	0.67	0.2	0.468	0.392	0.371	0.789
Compound_672	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)cc(o3)c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	0.671	0.7	0.372	0.554	0.874	0.398	0.173	0.836	0.548	0.041	0.51
Compound_673	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](COC(=O)/C=C/c2cc(OC)c(c(c2)OC)O)[C@H]([C@@H]([C@H]1O)O)O	0.711	0.563	0.057	0.688	0.829	0.313	0.732	0.367	0.693	0.659	0.5
Compound_674	OC[C@@H]1O[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(cc1)O	0.742	0.528	0.018	0.592	0.957	0.851	0.811	0.191	0.521	0.557	0.723
Compound_675	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](COC(=O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O	0.305	0.484	0.338	0.538	0.698	0.925	0.811	0.009	0.692	0.867	0.376
Compound_676	OC[C@@]1(O)CO[C@H]([C@@H]1O)Oc1cc2O[C@@H]([C@H](Cc2c(c1)O)O)c1ccc(c(c1)O)O	0.092	0.591	0.116	0.626	0.946	0.461	0.025	0.578	0.22	0.662	0.484
Compound_677	OCC1OC(C(C(C1O)O)O)c1c(O)c(C2OCC(C(C2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	0.753	0.624	0.486	0.694	0.969	0.981	0.891	0.922	0.666	0.102	0.313
Compound_678	OCC1OC(C(C(C1O)O)O)c1c(O)c(C2OCC(C(C2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O	0.753	0.515	0.486	0.694	0.975	0.984	0.893	0.922	0.645	0.12	0.629
Compound_679	OC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.706	0.72	0.103	0.567	0.863	0.643	0.864	0.72	0.466	0.056	0.89
Compound_680	OCC1OC(OC(/C=C/C2(O)C(C)CC(=O)CC2(C)C)C)C(C(C1O)O)O	0.7	0.663	0.596	0.548	0.758	0.787	0.725	0.148	0.7	0.742	0.157
Compound_681	OCC(C1CCC2(C1(C)C(O)CC1=C2CCC2C1(C)CC(O)C(C2(C)C)OC(=O)CC(CC(=O)NCC(=O)O)(O)C)C)CCC(C(O)(C)C)O	0.398	0.92	0.001	0.382	0.65	0.788	0.111	0.176	0.313	0.129	0.04
Compound_682	OCC1OC(Oc2c3CC4COC(=O)C4C(c3cc3c2OCO3)c2cc(OC)c(c(c2)OC)O)C(C(C1O)O)O	0.693	0.733	0.317	0.5	0.938	0.677	0.644	0.386	0.854	0.136	0.737
Compound_683	OCCCc1cc2[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H](Oc2c(c1)O)c1ccc(c(c1)OC)O	0.623	0.604	0.009	0.524	0.812	0.522	0.046	0.121	0.357	0.159	0.244
Compound_684	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)[C@H]3O[C@@]2(C)C[C@@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.485	0.706	0.027	0.458	0.869	0.669	0.972	0.098	0.637	0.841	0.335
Compound_685	O=C(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O	0.812	0.509	0.103	0.751	0.985	0.911	0.865	0.038	0.559	0.039	0.739
Compound_686	O=N(=O)CCc1ccc(cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.264	0.555	0.081	0.481	0.424	0.912	0.115	0.36	0.431	0.905	0.39
Compound_687	OC/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.424	0.306	0.175	0.633	0.415	0.328	0.164	0.453	0.425	0.577	0.143
Compound_688	OC[C@H]1O[C@@H](Oc2cc(OC)ccc2CCC(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.243	0.379	0.019	0.306	0.613	0.469	0.692	0.171	0.471	0.173	0.049
Compound_689	OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O	0.772	0.516	0.346	0.686	0.908	0.771	0.153	0.829	0.338	0.081	0.9
Compound_690	OC[C@H]1O[C@@H](O[C@@H]2OC=C(C3C2[C@H](C)CC3=O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.637	0.578	0.017	0.508	0.727	0.664	0.559	0.716	0.511	0.058	0.242
Compound_691	OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O	0.733	0.571	0.458	0.56	0.998	0.78	0.238	0.189	0.503	0.076	0.921
Compound_692	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.202	0.433	0.126	0.528	0.465	0.558	0.365	0.098	0.482	0.507	0.358
Compound_693	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3OC(=O)/C=C/c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	0.74	0.493	0.006	0.637	0.94	0.672	0.673	0.201	0.665	0.473	0.522
Compound_694	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@]2(CC[C@@]2(C3C(C)C(C)CC2)C(=O)O)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.704	0.95	0.007	0.329	0.945	0.828	0.567	0.318	0.366	0.144	0.141
Compound_695	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@@H](O[C@@H]([C@@H]([C@@H]3O[C@@H]3OC[C@]([C@H]3O)(O)CO)OC(=O)C)C)OC(=O)[C@]34CC[C@@]5(C(=CCC6[C@@]5(C)CCC5[C@]6(C)C[C@@H]([C@@H]([C@@]5(C)C(=O)O)O[C@@H]5O[C@H](C(=O)O)[C@H]([C@@H]([C@H]5O)O)O)O)[C@@H]4CC(CC3)(C)C)C)O[C@H]([C@@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.734	1.0	0.001	0.538	0.969	0.841	0.826	0.339	0.465	0.849	0.172
Compound_696	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.749	0.96	0.004	0.532	0.968	0.829	0.714	0.498	0.56	0.819	0.124
Compound_697	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(CC4C4=CCC5[C@@]([C@@]4(CC3)C)(C)CCC3[C@]5(C)CC[C@@H]([C@@]3(C)CO)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.823	0.96	0.002	0.542	0.977	0.727	0.601	0.657	0.675	0.874	0.018
Compound_698	OC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@]4(C(=CCC5[C@@]4(C)CCC4[C@]5(C)CC[C@@H](C4(C)C)O[C@@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)O)O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.789	0.96	0.001	0.533	0.966	0.739	0.714	0.384	0.516	0.819	0.124
Compound_699	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@H]([C@@H]2O)O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O)O)C)OC(=O)[C@@]23CCC(C[C@H]3C3=CCC4[C@@]([C@@]3(C[C@H]2O)C)(C)CCC2[C@]4(C)CC[C@@H]([C@@]2(C)C=O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.845	0.96	0.002	0.589	0.945	0.73	0.714	0.444	0.557	0.819	0.1
Compound_700	OCC1OC(OC/C=C(/CC/C=C(/CC/C=C(/COC2OC(CO)C(C(C2O)OC2OC(C)C(C(C2O)O)OC2OC(C)C(C(C2O)O)O)O)\C)\C)\C)C(C(C1O)OC1OC(C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O)O	0.611	0.547	0.019	0.362	0.919	0.718	0.505	0.166	0.538	0.758	0.229
Compound_701	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@]3(C([C@]2(C)CO)[C@H](O)C[C@@]2(C3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@]([C@H]2O)(O)CO)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@H]1OC[C@]([C@H]1O)(O)CO)O)O	0.821	1.0	0.001	0.614	0.988	0.839	0.889	0.815	0.694	0.897	0.032
Compound_702	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C/C)CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2OC(=O)C[C@H]2C(=CC)[C@@H](OC=C2C(=O)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.666	0.66	0.053	0.562	0.723	0.687	0.962	0.61	0.692	0.792	0.812
Compound_703	CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@@H]([C@H](O5)C)OC)[C@@H]([C@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@@H](OC2C[C@@H](O[C@@H]3O[C@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@H]([C@H](O2)C)O)[C@@H]([C@H](O1)C)O)O)O)C)C(=O)[C@H]([C@H](O)C)O	0.954	0.874	0.047	0.769	0.905	0.895	0.983	0.623	0.451	0.233	0.918
Compound_704	OCC1OC(OC2C(COC(=O)/C(=C/C)/C)OC(C(C2O)O)OC2OC(COC(=O)/C(=C/C)/C)C(C(C2O)O)OC2OC(CO)C(C(C2O)OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)C(C(C1OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)O	0.737	0.597	0.008	0.57	0.933	0.767	0.863	0.728	0.761	0.96	0.742
Compound_705	COc1cc(ccc1OC(C(c1ccc(c(c1)OC)OC)O)C)C1OC(C(C1C)C)c1ccc(c(c1)OC)OC(C(c1ccc2c(c1)OCO2)O)C	0.696	0.701	0.777	0.397	0.991	0.85	0.565	0.33	0.346	0.89	0.986
Compound_706	OC[C@H]1O[C@@H](O[C@@H]2CC[C@]3([C@](C2)(O)CCC2C3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.952	0.98	0.002	0.713	0.975	0.925	0.92	0.559	0.971	0.554	0.087
Compound_707	OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2(C3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.707	0.98	0.012	0.57	0.968	0.854	0.714	0.801	0.484	0.431	0.218
Compound_708	OCC1OC(C(C(C1O)OC1OC(CO)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)OC)O	0.768	0.528	0.391	0.651	0.982	0.815	0.289	0.337	0.394	0.269	0.768
Compound_709	OCC1OC(C(C(C1O)OC1OC(CO)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)OC)O	0.81	0.528	0.369	0.68	0.982	0.815	0.289	0.33	0.511	0.269	0.768
Compound_710	OC[C@H]1O[C@@H](O[C@H]2C(O[C@H]3O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]([C@H]3O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)O)O[C@@H]([C@H]([C@@H]2O)O)COC(=O)/C(=C/C)/C)[C@@H]([C@H]([C@@H]1O)O)O	0.787	0.577	0.093	0.572	0.933	0.767	0.863	0.568	0.796	0.912	0.595
Compound_711	OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]([C@H]2O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]([C@H]1O)O)O	0.787	0.577	0.093	0.572	0.933	0.767	0.863	0.568	0.763	0.912	0.595
Compound_712	O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1cc(O)c2c(c1)c(C(=O)O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)c(o2)c1ccc(c(c1)O)O	0.707	0.559	0.87	0.689	0.869	0.61	0.747	0.975	0.4	0.128	0.699
Compound_713	OC[C@]1(C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)C)C	0.811	0.96	0.002	0.614	0.981	0.726	0.601	0.573	0.666	0.874	0.018
Compound_714	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)OC(=O)/C=C/c1ccc(cc1)O	0.764	0.551	0.029	0.636	0.977	0.794	0.862	0.059	0.511	0.497	0.319
Compound_715	CCCCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C1C(C)(OC(=O)C)CC(C1(C2OC(=O)C1(C)O)O)OC(=O)CCC)C	0.895	0.86	0.072	0.572	0.807	0.348	0.983	0.973	0.429	0.749	0.596
Compound_716	COc1cc(O)c(cc1C1OC(=O)C(C1O)(C)O)CCC(=O)O	0.513	0.322	0.043	0.425	0.701	0.404	0.343	0.217	0.483	0.037	0.264
Compound_717	OC[C@H]1O[C@@H](Oc2c(OC)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O	0.495	0.63	0.321	0.417	0.4	0.254	0.428	0.521	0.637	0.112	0.651
Compound_718	C=C1CCC[C@]2([C@H]1C[C@@](O)(CC2)C(=C)C(=O)O)C	0.912	0.821	0.018	0.342	0.892	0.219	0.347	0.804	0.389	0.964	0.329
Compound_719	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2C(C)CC3=O)O)C(=O)OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.683	0.649	0.029	0.654	0.913	0.582	0.212	0.677	0.388	0.794	0.395
Compound_720	OC[C@H]1O[C@@H](OC2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccccc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.774	0.76	0.043	0.607	0.908	0.717	0.902	0.603	0.464	0.118	0.75
Compound_721	OCC1Cc2cc(OC)c(cc2C(C1CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OC)O)O	0.764	0.601	0.039	0.452	0.884	0.575	0.639	0.152	0.402	0.161	0.339
Compound_722	OC[C@@H]1[C@H](OC[C@]1(O)Cc1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OC)O	0.631	0.644	0.026	0.479	0.892	0.443	0.094	0.34	0.32	0.333	0.551
Compound_723	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)[C@H]2OC[C@]3([C@@H]2CO[C@@H]3c2ccc(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.648	0.68	0.016	0.477	0.931	0.507	0.107	0.196	0.352	0.334	0.664
Compound_724	COc1c(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	0.686	0.774	0.103	0.576	0.826	0.292	0.409	0.86	0.245	0.06	0.824
Compound_725	OC[C@@H]1[C@H](OC[C@]1(O)Cc1ccc(c(c1)OC)O)c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.609	0.644	0.026	0.479	0.892	0.443	0.094	0.34	0.356	0.333	0.551
Compound_726	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@]([C@H]4C4=CCC5[C@@]([C@@]4(CC3)C)(C)CCC3[C@]5(C)CC[C@@H]([C@]3(C)C(=O)O)O)(C)O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.758	0.98	0.331	0.472	0.99	0.866	0.836	0.666	0.605	0.812	0.107
Compound_727	OC[C@H]1O[C@@H](OC2OC=C(C3C2C(C)CC3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.653	0.494	0.039	0.304	0.735	0.547	0.72	0.408	0.382	0.31	0.063
Compound_728	OCC1OC(OC(=O)C23CCC4(C(=CCC5C4(C)CCC4C5(C)CCC(C4(C)C)OC4OC(C)C(C(C4O)O)O)C3CC(CC2)(C)C)C(=O)O)C(C(C1O)O)O	0.769	0.96	0.01	0.403	0.941	0.857	0.601	0.379	0.454	0.258	0.19
Compound_729	OC[C@H]1O[C@@H](OC2(CO)CC34CC2CCC4[C@@]2(C([C@H]([C@H]3O)O)[C@](C)(CCC2)C(=O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.285	0.814	0.001	0.294	0.891	0.831	0.626	0.133	0.389	0.662	0.154
Compound_730	OCCc1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.228	0.351	0.688	0.439	0.335	0.255	0.096	0.329	0.136	0.369	0.03
Compound_731	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3(C2[C@@](C)(OC(=O)/C=C/c2ccc(cc2)O)C[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.783	0.504	0.015	0.638	0.933	0.72	0.911	0.164	0.694	0.684	0.1
Compound_732	OC[C@H]1O[C@@H](O[C@H](c2ccccc2)C(=O)N)[C@@H]([C@H]([C@@H]1O)O)O	0.063	0.485	0.005	0.338	0.003	0.214	0.189	0.003	0.201	0.031	0.074
Compound_733	OCC1OC(OC2C[C@H]3CC[C@]2(C)OC3(C)C)C(C(C1O)O)O	0.505	0.659	0.005	0.38	0.371	0.336	0.451	0.015	0.778	0.219	0.21
Compound_734	OC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@]4(C(=CCC5[C@@]4(C)CCC4[C@]5(C)C[C@@H]([C@@H]([C@@]4(C)CO)O[C@@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O)O)O)O)C3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.763	0.96	0.003	0.578	0.961	0.835	0.714	0.427	0.472	0.819	0.1
Compound_735	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C([C@]2(C)CO)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.784	0.96	0.004	0.459	0.941	0.856	0.601	0.404	0.511	0.874	0.025
Compound_736	OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OCC3C2CO[C@H]3c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO	0.614	0.69	0.009	0.484	0.967	0.689	0.159	0.143	0.674	0.711	0.9
Compound_737	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C2(C=C3)C=C(C(=O)O2)[C@@H](OC(=O)/C=C/c2ccc(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.708	0.682	0.03	0.566	0.953	0.753	0.914	0.491	0.539	0.689	0.646
Compound_738	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@H]3C[C@]4(C)C(=CCC5[C@@]4(C)CCC4[C@]5(C)CC[C@@H]([C@@]4(C)C(=O)O)O)C4C3CCC(C4(C)O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.863	0.98	0.192	0.437	0.99	0.859	0.844	0.671	0.566	0.812	0.107
Compound_739	OCC1OC(OC2CC3C(=CCC4C3(C)CCC3(C4(C)CC(C3C(C(=O)CCC(O)(C)C)(O)C)OC(=O)C)C)C(C2O)(C)C)C(C(C1O)O)O	0.724	1.0	0.002	0.558	0.821	0.859	0.239	0.37	0.641	0.148	0.145
Compound_740	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.683	0.742	0.023	0.614	0.917	0.695	0.873	0.684	0.496	0.19	0.224
Compound_741	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c(c1O)C(=O)c1ccc(cc1)O)O	0.782	0.546	0.151	0.74	0.967	0.988	0.78	0.638	0.65	0.142	0.256
Compound_742	OC[C@H]1O[C@@H](OC(=O)[C@@]23CCC([C@H](C3C3=CCC4[C@@]([C@@]3(CC2)C)(C)CCC2[C@]4(C)C[C@H]([C@@H](C2(CO)CO)O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.8	0.95	0.025	0.566	0.951	0.848	0.621	0.379	0.691	0.771	0.012
Compound_743	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccc(cc1)O	0.648	0.548	0.042	0.542	0.951	0.945	0.725	0.147	0.409	0.128	0.62
Compound_744	OC/C=C\1/[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(cc1)O)C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.632	0.587	0.062	0.575	0.761	0.91	0.931	0.71	0.643	0.774	0.487
Compound_745	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.544	0.541	0.016	0.288	0.742	0.551	0.428	0.283	0.412	0.659	0.203
Compound_746	OCC1O[C@@H](O[C@@H]2CC3CCC4C([C@]3([C@@H](C2)OC(=O)C)C)CC[C@]2([C@]4(O)CC[C@@H]2C2=CC(=O)OC2)C)C(C(C1OC1OC(C)C(C(C1O)OC)O)O)O	0.934	0.99	0.0	0.609	0.985	0.944	0.954	0.686	0.964	0.661	0.935
Compound_747	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.763	0.462	0.322	0.697	0.864	0.904	0.863	0.727	0.556	0.064	0.899
Compound_748	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)c(OC)c(cc1)O	0.871	0.669	0.75	0.536	0.774	0.476	0.613	0.867	0.534	0.007	0.667
Compound_749	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3OC(=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.679	0.423	0.209	0.613	0.948	0.679	0.81	0.085	0.364	0.817	0.662
Compound_750	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@@H](C(=O)O)CC(=O)O)C[C@H](CCCCCC[C@H](C[C@@H]([C@@H](N)C)O)O)C)OC(=O)C[C@@H](C(=O)O)CC(=O)O)C	0.145	0.162	0.003	0.235	0.161	0.187	0.009	0.257	0.517	0.076	0.171
Compound_751	COC(=O)C[C@H]1C(=CCOC(=O)/C=C/c2ccc(cc2)O)[C@@H](OC=C1C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.682	0.549	0.022	0.48	0.721	0.877	0.813	0.654	0.511	0.837	0.661
Compound_752	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.414	0.331	0.004	0.459	0.778	0.318	0.141	0.149	0.235	0.63	0.113
Compound_753	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)C1OC(C)C(C(C1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O	0.814	0.76	0.691	0.698	0.951	0.975	0.87	0.499	0.693	0.056	0.814
Compound_754	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)[C@H]([C@H]3O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.667	0.663	0.045	0.474	0.898	0.694	0.87	0.653	0.534	0.125	0.218
Compound_755	COc1cc(O)cc(c1C(=O)OC1C(COC(=O)c2ccc(c(c2)OC(=C)C(=O)O)O)OC(C1OC(=O)C)n1ccc(=O)[nH]c1=O)C	0.762	0.604	0.143	0.361	0.486	0.367	0.652	0.202	0.349	0.215	0.727
Compound_756	OC[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O	0.783	0.516	0.322	0.705	0.876	0.935	0.794	0.833	0.53	0.081	0.9
Compound_757	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.734	0.461	0.093	0.656	0.877	0.812	0.818	0.643	0.542	0.075	0.78
Compound_758	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O	0.782	0.599	0.205	0.679	0.882	0.913	0.854	0.061	0.732	0.039	0.363
Compound_759	COc1cc(ccc1OC)OC1OC(COC2OCC(C(C2O)O)O)C(C(C1O)O)O	0.379	0.473	0.15	0.459	0.762	0.374	0.186	0.11	0.436	0.593	0.133
Compound_760	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)c3coc4c(c3=O)c(OC)c3c(c4)OCO3)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.594	0.689	0.909	0.544	0.928	0.803	0.102	0.315	0.464	0.319	0.839
Compound_761	CCC(C(O)(C)C)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@]([C@H]2O)(O)CO)[C@H]([C@@H]([C@H]1O)O)O	0.441	0.531	0.018	0.496	0.135	0.352	0.739	0.025	0.511	0.889	0.492
Compound_762	OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)O)(C(=O)O)C3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CC(C)C	0.684	0.99	0.053	0.365	0.957	0.808	0.57	0.745	0.4	0.183	0.766
Compound_763	OC[C@H]1O[C@@H](Oc2cc(cc(c2C(=O)Oc2cc(C)c(c(c2)O)C(=O)NC(C(=O)O)C)C)OC(=O)c2c(C)cc(cc2OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.497	0.665	0.026	0.397	0.838	0.762	0.277	0.378	0.367	0.076	0.384
Compound_764	OCC1OC(O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.765	0.96	0.003	0.57	0.97	0.849	0.714	0.275	0.435	0.647	0.035
Compound_765	CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CC=C2[C@@]1(C)CC([C@@]1(C2CC(C)(C)CC1)C(=O)O)O)C)C	0.336	0.91	0.003	0.505	0.916	0.782	0.201	0.771	0.402	0.918	0.113
Compound_766	OCC1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(C(C2)CCC2C3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)C(C(C1OC1OC(C)C(C(C1O)OC)O)O)O	0.945	1.0	0.0	0.658	0.985	0.944	0.954	0.765	0.959	0.557	0.617
Compound_767	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)C34CCC(C4C4C(CC3)(C(=O)O)C3(C)CCC5C(C3CC4)(C)CCC(C5(C)C)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.71	0.98	0.002	0.382	0.984	0.86	0.496	0.435	0.43	0.857	0.681
Compound_768	OC[C@H]1O[C@@H](Oc2cc(C)c(c(c2)O)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.29	0.408	0.155	0.516	0.693	0.759	0.319	0.128	0.476	0.291	0.113
Compound_769	CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(NC(=O)C)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C	0.163	0.162	0.001	0.261	0.136	0.23	0.009	0.278	0.457	0.289	0.122
Compound_770	OC[C@H]1O[C@@H](OC(=O)/C/2=C\CCC(=C[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)C)[C@@H]([C@H]([C@@H]1O)O)O	0.742	0.539	0.03	0.461	0.608	0.583	0.919	0.271	0.725	0.153	0.475
Compound_771	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1OC1OC(CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)C(C(C1O)O)O)O	0.77	0.675	0.175	0.674	0.926	0.658	0.158	0.23	0.615	0.035	0.828
Compound_772	OCC1Cc2cc(OC)c(c(c2C(C1COC1OCC(C(C1O)O)O)c1cc(OC)c(c(c1)OC)O)OC)O	0.691	0.65	0.041	0.471	0.887	0.628	0.453	0.136	0.62	0.263	0.587
Compound_773	OC[C@H]1O[C@@H](OCC=C(CC[C@@H]2C(=C)CC[C@H]3[C@@]2(C)CC[C@H]([C@]3(C)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.798	0.921	0.107	0.448	0.888	0.83	0.812	0.75	0.792	0.894	0.378
Compound_774	OCC1OC(C(C(C1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	0.829	0.539	0.795	0.72	0.971	0.982	0.879	0.826	0.597	0.013	0.874
Compound_775	COC1CC(OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CC(C3C2=CC(=O)OC2)OC(=O)C)C)C)OC(C1OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O)C	0.905	0.99	0.001	0.594	0.972	0.715	0.954	0.59	0.979	0.661	0.935
Compound_776	C=CCc1ccc(c(c1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.276	0.29	0.296	0.548	0.549	0.493	0.224	0.906	0.123	0.77	0.275
Compound_777	COc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.719	0.7	0.084	0.664	0.872	0.855	0.803	0.773	0.665	0.041	0.51
Compound_778	OCC1OC(C(C(C1O)O)O)c1c(O)cc(c2c1occ(c2=O)c1ccc(cc1)O)O	0.843	0.648	0.817	0.772	0.977	0.965	0.912	0.827	0.609	0.01	0.608
Compound_779	OCC(C1CC(C(C1COC(=O)CC1C(=COC(/C/1=C\C)OC1OC(CO)C(C(C1O)O)O)C(=O)OC)C)OC(=O)CC1C(=COC(C1=CC)OC1OC(CO)C(C(C1O)O)O)C(=O)OC)COC(=O)CC1C(=COC(C1=CC)OC1OC(CO)C(C(C1O)O)O)C(=O)OC	0.619	0.666	0.005	0.583	0.824	0.677	0.928	0.674	0.724	0.732	0.888
Compound_780	OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.685	0.62	0.714	0.704	0.817	0.801	0.815	0.782	0.645	0.043	0.476
Compound_781	O=C(C[C@@H](O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CCc1ccc(c(c1)O)O)CCc1ccc(c(c1)O)O	0.726	0.567	0.047	0.512	0.892	0.562	0.052	0.291	0.148	0.617	0.265
Compound_782	OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.696	0.72	0.146	0.603	0.898	0.394	0.343	0.773	0.303	0.056	0.89
Compound_783	OC[C@H]1O[C@@H](Oc2ccc(cc2)COC(=O)[C@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CC(=O)O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.265	0.712	0.015	0.295	0.684	0.551	0.42	0.087	0.43	0.535	0.202
Compound_784	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OC[C@H]2O[C@@H](O[C@@]34CO[C@@H]([C@H]4CO[C@@H]3c3ccc(c(c3)OC)O)c3ccc(c(c3)OC)O)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.804	0.85	0.005	0.551	0.976	0.739	0.874	0.695	0.449	0.692	0.994
Compound_785	C=CCc1ccc(cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.408	0.341	0.175	0.524	0.514	0.751	0.38	0.487	0.322	0.369	0.103
Compound_786	OCC1OC(C(C1O)O)Oc1cc2OC(C(Cc2c(c1)O)O)c1ccc(cc1)O	0.097	0.529	0.116	0.563	0.914	0.861	0.083	0.635	0.28	0.236	0.391
Compound_787	Oc1ccc(cc1)C(C1NC(=O)CNC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(C)C)O	0.69	0.489	0.107	0.248	0.707	0.689	0.117	0.577	0.283	0.224	0.57
Compound_788	OC[C@H]1O[C@@H](OC(=O)[C@@]23CCC([C@H](C3C3=CCC4[C@@]([C@@]3(CC2)C)(C)CCC2[C@]4(C)C[C@H]([C@@H]([C@@]2(C)CO)O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.8	0.95	0.025	0.566	0.951	0.848	0.621	0.371	0.691	0.771	0.012
Compound_789	OC[C@H]1O[C@@H](OC[C@]2(C)[C@H](O)CC[C@@]3([C@@H]2CCC(=C)[C@H]3C/C=C/2\[C@H](O)COC2=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.788	0.97	0.204	0.584	0.949	0.891	0.939	0.822	0.881	0.807	0.15
Compound_790	OC[C@H]1O[C@@H](O[C@@H]2CC[C@@]3([C@@H]([C@]2(C)CO)CCC(=C)[C@H]3C/C=C/2\[C@H](O)COC2=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.788	0.97	0.082	0.596	0.949	0.891	0.939	0.822	0.881	0.807	0.15
Compound_791	OCC1OC(OC(=O)[C@@]23CC[C@H]([C@@](C3C3=CCC4[C@@]([C@@]3(CC2)C)(C)CCC2[C@]4(C)CC[C@@H]([C@]2(C)C(=O)O)O)(C)O)C)C(C(C1O)O)O	0.777	0.97	0.321	0.454	0.973	0.868	0.816	0.549	0.571	0.138	0.119
Compound_792	OC[C@H]1O[C@@H](OC2CC(C)(C)C(=C=CC(=O)C)C(C2)(C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.532	0.76	0.051	0.542	0.743	0.725	0.551	0.334	0.821	0.782	0.118
Compound_793	CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3[C@]([C@@]42O[C@@]([C@H](C(=O)[C@H]1OC(=O)C)[C@H]4OC(=O)C)(C)COC(=O)c1c([C@H]([C@@H](C(=O)O3)C)C)nccc1)(C)O	0.706	0.767	0.054	0.485	0.566	0.657	0.252	0.498	0.486	0.292	0.875
Compound_794	OCC1OC(OC2OC=C(C3(C2C(C)CC3=O)O)C(=O)OC)C(C(C1O)O)O	0.642	0.69	0.019	0.619	0.818	0.735	0.61	0.639	0.54	0.068	0.308
Compound_795	O=C(OC1C(COC2OC(C)C(C(C2O)O)O)OC(C(C1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O)/C=C/c1ccc(cc1)O	0.788	0.539	0.076	0.683	0.986	0.818	0.205	0.07	0.419	0.137	0.867
Compound_796	OCC1OC(OCC2OC(OC3CC(O)C4(C(=CCC5C4CCC4(C5CCC4C(C4CC(=C(C(=O)O4)C)CO)C)C)C3)C)C(C(C2O)O)O)C(C(C1O)O)O	0.848	1.0	0.012	0.662	0.977	0.954	0.628	0.827	0.874	0.873	0.022
Compound_797	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2OC(=O)/C=C/c2ccccc2)OC(=O)C)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.737	0.53	0.016	0.57	0.94	0.687	0.972	0.152	0.593	0.878	0.828
Compound_798	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.595	0.549	0.019	0.479	0.755	0.536	0.412	0.727	0.539	0.253	0.134
Compound_799	OC[C@H]1O[C@@H](Oc2c(OC)cc3c(c2O)oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O	0.586	0.55	0.109	0.424	0.691	0.206	0.428	0.619	0.603	0.111	0.656
Compound_800	OC1C(OC2OCC(C(C2OC2OC(C)C(C(C2O)O)O)O)O)C(OC(C1O)C(=O)O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CC=C2[C@@]1(C)CC[C@@]1(C2CC(C)(C)CC1O)C)C)C	0.765	0.98	0.007	0.605	0.97	0.849	0.714	0.671	0.516	0.828	0.06
Compound_801	OC[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)C(=O)[C@@H]([C@H](O2)c1ccc(cc1)O)O	0.616	0.548	0.064	0.55	0.907	0.908	0.725	0.139	0.394	0.128	0.62
Compound_802	OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.672	0.563	0.246	0.672	0.891	0.828	0.83	0.635	0.634	0.064	0.624
Compound_803	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	0.783	0.677	0.478	0.698	0.959	0.71	0.262	0.121	0.373	0.447	0.349
Compound_804	OCC1OC(C(C(C1O)O)O)c1c(O)c(C2OC(CO)C(C(C2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O	0.753	0.524	0.461	0.712	0.969	0.981	0.891	0.877	0.668	0.12	0.823
Compound_805	CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2C3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.926	0.99	-0.0	0.678	0.98	0.92	0.911	0.669	0.877	0.661	0.935
Compound_806	OCC1OC(OCCC=CC[C@@H]2[C@H](CCC2=O)CC(=O)O)C(C(C1O)O)O	0.573	0.374	0.006	0.266	0.09	0.204	0.212	0.112	0.285	0.768	0.139
Compound_807	OC[C@H]1O[C@@H](OC([C@H](COc2c3ccoc3cc3c2ccc(=O)o3)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.335	0.632	0.084	0.417	0.3	0.837	0.831	0.137	0.536	0.631	0.759
Compound_808	OC/C=C/c1ccc(cc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.473	0.336	0.172	0.615	0.332	0.596	0.054	0.264	0.559	0.783	0.146
Compound_809	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)CC([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.663	0.96	0.01	0.604	0.885	0.889	0.753	0.186	0.45	0.161	0.151
Compound_810	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccc(cc2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.787	0.75	0.034	0.636	0.951	0.726	0.889	0.595	0.587	0.268	0.811
Compound_811	OC[C@H]1O[C@@H](O[C@@H]2Oc3cc(O)ccc3NC2=O)[C@@H]([C@H]([C@@H]1O)O)O	0.446	0.473	0.245	0.436	0.421	0.342	0.079	0.085	0.414	0.473	0.469
Compound_812	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)CC3C(=CCC4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H](C3[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.68	1.0	0.003	0.597	0.833	0.867	0.343	0.263	0.48	0.148	0.145
Compound_813	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@@H]2COC([C@@H]2CO)c2ccc(c(c2)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.587	0.627	0.026	0.449	0.917	0.742	0.281	0.355	0.34	0.264	0.545
Compound_814	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C2(C=C3)OC(=O)C(=C2)[C@@H](OC(=O)/C=C/c2ccc(cc2)O)C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.753	0.662	0.019	0.527	0.938	0.85	0.854	0.675	0.563	0.176	0.755
Compound_815	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)C(=O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC=C3[C@@]2(C)CC[C@@]2(C3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.707	0.96	0.006	0.535	0.968	0.854	0.714	0.262	0.492	0.258	0.19
Compound_816	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	0.813	0.566	0.55	0.668	0.946	0.959	0.821	0.292	0.645	0.075	0.408
Compound_817	OC[C@H]1O[C@@H](OCC2=COC(C3C2CC(C3(O)CO)O)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.729	0.779	0.332	0.45	0.828	0.724	0.863	0.453	0.612	0.722	0.027
Compound_818	OCC([C@@H]1C[C@@H]([C@H]([C@H]1COC(=O)CC1/C(=C/C)/C(OC=C1C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)OC(=O)CC1C(=CC)C(OC=C1C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)CO	0.616	0.666	0.005	0.583	0.766	0.671	0.928	0.674	0.724	0.732	0.888
Compound_819	OCC1OC(Oc2c(C(=O)OC)c(CC=C(C)C)c(c3c2cccc3)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O	0.408	0.527	0.768	0.622	0.723	0.873	0.765	0.752	0.511	0.268	0.769
Compound_820	OC[C@H]1O[C@@H](O[C@@H]2C=C[C@@](C3[C@@]2(C)C2[C@@H](O)[C@H](O)[C@@H]([C@H]4[C@@]2([C@@H]([C@@H]3O)OC4=O)C)C)(C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.796	0.512	0.098	0.504	0.949	0.912	0.849	0.14	0.743	0.624	0.508
Compound_821	O=C(OC[C@H]1O[C@@H](OC2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O	0.805	0.509	0.103	0.721	0.986	0.818	0.205	0.036	0.418	0.039	0.739
Compound_822	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H]([C@H](C3=O)[C@@H]2[C@H](Oc3c(C2=O)c(O)cc(c3)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(cc2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.262	0.494	0.058	0.475	0.995	0.857	0.921	0.438	0.47	0.212	0.861
Compound_823	OC[C@H]1O[C@@H](O[C@H]2Oc3cc(OC)ccc3NC2=O)[C@@H]([C@H]([C@@H]1O)O)O	0.393	0.531	0.339	0.448	0.299	0.288	0.064	0.353	0.434	0.258	0.302
Compound_824	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O	0.773	0.413	0.006	0.492	0.988	0.76	0.356	0.421	0.369	0.835	0.254
Compound_825	OCC1OC(OC(=O)C2(C)C(O)CC(C34C2CCC2C4(C3)CCC3(C2(C)CCC3C(CC(C(C(O)(C)C)O)O)C)C)O)C(C(C1O)O)O	0.494	0.824	0.019	0.532	0.945	0.779	0.815	0.177	0.465	0.46	0.311
Compound_826	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)C[C@H]3O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.667	0.66	0.021	0.494	0.9	0.713	0.87	0.684	0.516	0.125	0.043
Compound_827	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3CC[C@]34[C@@]2(C)C[C@H]([C@@]2(C4CC(C)(C)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.449	0.834	0.001	0.51	0.955	0.794	0.917	0.081	0.672	0.9	0.362
Compound_828	OCCC(=C)C(=O)OCC1OCC(C(C1O)O)OC(=O)C(=C)CCO[C@@H]1O[C@H](COC(=O)C(=C)CCO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.563	0.56	0.025	0.602	0.926	0.83	0.783	0.228	0.662	0.823	0.328
Compound_829	OC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@]4(C(=CCC5[C@@]4(C)CCC4[C@]5(C)CC[C@@H](C4(C)C)O[C@@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O[C@@H]4OC[C@H]([C@@H]([C@H]4O)O[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)O)O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.78	0.96	0.001	0.544	0.968	0.829	0.714	0.511	0.579	0.819	0.1
Compound_830	OCC1=CC(C2C1C(OC=C2C(=O)OC)OC1OC(CO)C(C(C1O)O)O)O	0.603	0.479	0.031	0.464	0.783	0.579	0.436	0.702	0.593	0.252	0.098
Compound_831	OCC1O[C@H]([C@@H]([C@H]1O)O)OC[C@H]1O[C@@H](OC(CCc2ccc(cc2)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.49	0.451	0.041	0.515	0.555	0.862	0.516	0.132	0.43	0.748	0.07
Compound_832	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)CC(O3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.251	0.487	0.023	0.45	0.928	0.914	0.721	0.086	0.407	0.197	0.662
Compound_833	CO[C@H]1C[C@@H](O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@H]1C[C@@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)O[C@H]1[C@@H](OC)C[C@@H](O[C@@H]1C)O[C@H]1CC[C@]2(C(=CC[C@@H]3C2C[C@@H](OC(=O)/C(=C/C)/C)[C@]2([C@]3(O)CC[C@@H]2C(=O)C)C)C1)C	0.792	1.0	0.0	0.601	0.987	0.741	0.792	0.438	0.629	0.207	0.247
Compound_834	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)C(=O)O)O[C@H]2CC[C@]3(C([C@]2(C)C=O)CC[C@@]2(C3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)OC2OC(C)C(C(C2O)O)O)OC2OC(C)C(C(C2O)O)OC2OCC(C(C2O)O)O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.71	0.96	0.002	0.598	0.945	0.73	0.714	0.542	0.557	0.819	0.1
Compound_835	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3(C([C@@]2(C)CO)CC[C@@]2(C3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2O)OC(=O)/C(=C/C)/C)COC(=O)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.8	0.96	0.002	0.548	0.978	0.887	0.879	0.62	0.663	0.819	0.1
Compound_836	OCC1OC(OC(C2CCC(C3C(C2)C(C)(O)C(=O)C3)(O)CO)(C)C)C(C(C1O)O)O	0.289	0.605	0.002	0.389	0.46	0.592	0.328	0.057	0.328	0.625	0.294
Compound_837	COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1OC1OC(COC(=O)CC(CC(=O)O)(O)C)C(C(C1O)O)O	0.655	0.745	0.229	0.498	0.558	0.647	0.308	0.785	0.576	0.056	0.435
Compound_838	OCC1OC(Oc2cc3OC(c4ccc(cc4)O)C(C(=O)c3c(c2)O)O)C(C(C1O)O)O	0.124	0.487	0.065	0.438	0.882	0.879	0.721	0.136	0.384	0.197	0.662
Compound_839	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)/C=C/c4ccc(cc4)O)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.763	0.426	0.007	0.599	0.956	0.71	0.945	0.176	0.764	0.882	0.5
Compound_840	CO[C@H]([C@H](/C=C(/C=C/C1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)C1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.546	0.482	0.218	0.315	0.173	0.493	0.017	0.886	0.406	0.061	0.331
Compound_841	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)Cc1ccc(cc1)O)\C)C)Cc1ccccc1	0.818	0.525	0.375	0.326	0.577	0.66	0.066	0.902	0.406	0.381	0.423
Compound_842	NC1=N[C@@H]2[C@]3(N1)N(CCC3(O)O)C(=N[C@H]2C)N	0.116	0.45	0.123	0.404	0.053	0.321	0.001	0.052	0.061	0.0	0.168
Compound_843	C=C1CCCC2=NCC(C(CC32CCC(=C(C3/C=C(\C)/CCC2OC3(OC4(OC(C1)CCC4(C)O)CC(O)C3)CC2)C)C1OC(=O)C(=C1)C)C)C	0.776	0.85	0.057	0.458	0.867	0.829	0.8	0.971	0.654	0.614	0.73
Compound_844	OC[C@@H]1N(O)C(=N)N2[C@@]3([C@H]1NC(=N3)N)C(O)(O)CC2	0.319	0.506	0.053	0.463	0.044	0.584	0.0	0.039	0.04	0.002	0.611
Compound_845	OC(=O)CC/C=C/[C@@H]1CC=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@]1(O)O[C@@H]([C@H](C[C@H]1C)C)C(=C)C[C@]12C[C@H](C)C[C@@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)O	0.607	0.759	0.012	0.261	0.805	0.663	0.15	0.192	0.2	0.604	0.487
Compound_846	OC(=O)CC/C=C/C1C=C(C)CC2(O1)CCC1(O2)OC2CC(OC2CC1C)C(C1(O)OC(C(CC1C)C)C(=C)CC12CC(C)CC(O1)C1C(O2)CC2(O1)NCC(CC2C)C)O	0.621	0.759	0.003	0.252	0.805	0.663	0.15	0.115	0.214	0.604	0.487
Compound_847	OC(=O)CC/C=C/C1C=CCC2(O1)CCC1(O2)OC2CC(OC2CC1C)C(C1(O)CCC(C(O1)C(=C)CC12CC(C)CC(O1)C1C(O2)CC2(O1)NCC(CC2C)C)C)O	0.621	0.759	0.015	0.276	0.805	0.663	0.15	0.217	0.2	0.604	0.487
Compound_848	OC(=O)C[C@H](/C=C/[C@@H]1CC=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@@]1(O)CC[C@@H]([C@H](O1)C(=C)C[C@]12C[C@H](C)C[C@@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)C)O)O	0.614	0.749	0.006	0.295	0.847	0.664	0.105	0.284	0.143	0.604	0.411
Compound_849	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)Cc1c[nH]c2c1cccc2)C(=O)O)\C)C)Cc1ccccc1	0.769	0.508	0.075	0.362	0.565	0.661	0.788	0.571	0.404	0.18	0.662
Compound_850	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.811	0.478	0.026	0.296	0.5	0.814	0.061	0.901	0.406	0.086	0.442
Compound_851	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.759	0.478	0.044	0.298	0.534	0.82	0.061	0.897	0.406	0.086	0.442
Compound_852	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C	0.627	0.438	0.037	0.358	0.148	0.622	0.015	0.903	0.407	0.031	0.444
Compound_853	CCC(=O)C1=CCCC2NC1CC2	0.397	0.358	0.109	0.356	0.209	0.124	0.019	0.83	0.27	0.932	0.508
Compound_854	O=C(NS(=O)(=O)O)OCC1N(O)C(=N)N2C3(C1N=C(N3)N)C(O)(O)CC2	0.403	0.436	0.018	0.418	0.237	0.645	0.004	0.115	0.116	0.015	0.604
Compound_855	CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@@H]1CCC[C@]3(O1)OCCC[C@H]3C)C)O)C)O[C@@H](CC[C@H]2O)C[C@](C(=O)O)(O)C	0.786	0.98	0.002	0.371	0.909	0.708	0.954	0.936	0.459	0.955	0.632
Compound_856	OC(=O)CC/C=C/[C@@H]1C=C(C)C[C@@]2(O1)CC[C@]1(O2)OC2CC(OC2C[C@H]1C)[C@H]([C@@]1(O)C[C@H](O)[C@@H](C(O1)C(=C)C[C@@]12C[C@@H](C)C[C@@H](O1)C1C(O2)C[C@@]2(O1)NC[C@@H](C[C@@H]2C)C)C)O	0.617	0.749	0.003	0.25	0.805	0.663	0.15	0.115	0.191	0.604	0.411
Compound_857	OC(=O)CC/C=C/C1C=CCC2(O1)CCC1(O2)OC2CC(OC2CC1C)C(C1(O)CC(O)C(C(O1)C(=C)CC12CC(C)CC(O1)C1C(O2)CC2(O1)NCC(CC2C)C)C)O	0.617	0.749	0.012	0.249	0.805	0.663	0.15	0.192	0.178	0.604	0.411
Compound_858	OC(=O)C[C@H](/C=C/[C@@H]1C=C(C)C[C@@]2(O1)CC[C@]1(O2)OC2CC(OC2C[C@H]1C)[C@H]([C@@]1(O)CC[C@@H](C(O1)C(=C)C[C@@]12C[C@@H](C)C[C@@H](O1)C1C(O2)C[C@@]2(O1)NC[C@@H](C[C@@H]2C)C)C)O)O	0.643	0.749	0.001	0.286	0.847	0.664	0.105	0.209	0.144	0.604	0.411
Compound_859	OC(=O)CC/C=C/[C@@H]1C=C(C)C[C@@]2(O1)CC[C@]1(O2)OC2CC(OC2C[C@H]1C)[C@H]([C@@]1(O)CC[C@@H](C(O1)C(=C)C[C@@]12C[C@@H](C)C[C@@H](O1)C1C(O2)C[C@@]2(O1)NC[C@@H](C[C@@H]2C)C)C)O	0.621	0.759	0.004	0.277	0.805	0.663	0.15	0.132	0.214	0.604	0.487
Compound_860	OC(=O)CC/C=C/[C@@H]1C=CC[C@@]2(O1)CC[C@]1(O2)OC2CC(OC2C[C@H]1C)[C@H]([C@]1(O)OC(C(=C)C[C@@]23C[C@@H](C)C[C@@H](O2)C2C(O3)C[C@@]3(O2)NC[C@@H](C[C@@H]3C)C)[C@H]([C@H]([C@H]1C)O)C)O	0.617	0.749	0.012	0.244	0.805	0.663	0.15	0.192	0.2	0.604	0.411
Compound_861	O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=S	0.348	0.659	0.189	0.364	0.096	0.185	0.007	0.038	0.574	0.099	0.877
Compound_862	CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[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	0.951	0.867	0.005	0.438	0.34	0.827	0.029	0.908	0.771	0.458	0.563
Compound_863	Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1	0.409	0.551	0.441	0.389	0.636	0.467	0.227	0.652	0.371	0.014	0.418
Compound_864	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1ccc(c(c1)O)O	0.376	0.539	0.072	0.428	0.065	0.156	0.007	0.962	0.317	0.022	0.038
Compound_865	Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O	0.807	0.465	0.998	0.688	0.762	0.782	0.728	0.919	0.477	0.118	0.141
Compound_866	O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl	0.143	0.447	0.714	0.064	0.075	0.438	0.484	0.434	0.425	0.269	0.177
Compound_867	CNC1(CCCCC1=O)c1ccccc1F	0.278	0.225	0.329	0.468	0.019	0.123	0.02	0.322	0.176	0.032	0.246
Compound_868	CCCC(Cn1nc(c2c1cccc2)C(=O)N[C@@H](C(C)(C)C)C(=O)OC)F	0.569	0.719	0.542	0.562	0.589	0.463	0.572	0.988	0.443	0.354	0.388
Compound_869	CCC(CCn1nc(c2c1cccc2)C(=O)N[C@@H](C(C)(C)C)C(=O)OC)F	0.569	0.739	0.275	0.536	0.589	0.463	0.572	0.975	0.409	0.33	0.422
Compound_870	CCCC(Cn1nc(c2c1cccc2)C(=O)N[C@H](C(=O)OC)C(C)C)F	0.551	0.706	0.432	0.568	0.523	0.444	0.656	0.989	0.423	0.42	0.329
Compound_871	Fc1cccc(c1)NC1CCN(CC1)CCc1ccccc1	0.238	0.448	0.383	0.036	0.352	0.775	0.01	0.443	0.579	0.401	0.051
Compound_872	FCCCCCn1nc(c2c1cccc2)C(=O)N[C@@H](C(C)(C)C)C(=O)O	0.527	0.664	0.04	0.442	0.617	0.46	0.483	0.974	0.317	0.701	0.5
Compound_873	CC(C(=O)N(c1ccccc1)C1CCNCC1)C	0.331	0.398	0.029	0.227	0.017	0.107	0.0	0.006	0.133	0.005	0.019
Compound_874	Fc1cccc(c1)N(C(=O)C(C)C)C1CCN(CC1)CCc1ccccc1	0.583	0.542	0.355	0.151	0.209	0.769	0.003	0.116	0.282	0.153	0.041
Compound_875	CC(C(=O)N(c1ccccc1F)C1CCN(CC1)CCc1ccccc1)C	0.479	0.561	0.231	0.21	0.209	0.769	0.003	0.055	0.317	0.201	0.027
Compound_876	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)NC(c1ccccc1)(C)C	0.417	0.623	0.115	0.383	0.16	0.451	0.99	0.307	0.126	0.001	0.195
Compound_877	CN([C@H]1CCCC[C@@H]1N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)C	0.149	0.46	0.564	0.241	0.067	0.442	0.23	0.832	0.447	0.226	0.237
Compound_878	CCC(=O)N(C1(CCN(CC1)C)C(=O)OC)c1ccccc1	0.754	0.615	0.025	0.12	0.129	0.067	0.005	0.039	0.334	0.089	0.121
Compound_879	COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1ccoc1	0.779	0.849	0.224	0.57	0.04	0.241	0.997	0.032	0.526	0.131	0.991
Compound_880	CCNC(C(=O)c1ccccc1Cl)C	0.06	0.229	0.11	0.295	0.098	0.222	0.007	0.15	0.289	0.819	0.183
Compound_881	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@H]1O)C	0.511	0.795	0.017	0.138	0.174	0.189	0.005	0.07	0.026	0.025	0.493
Compound_882	COc1ccc2c3c1O[C@@H]1[C@@]43CCN(=O)([C@H](C2)[C@@H]4CC[C@@H]1O)C	0.595	0.749	0.008	0.498	0.259	0.342	0.012	0.422	0.038	0.113	0.415
Compound_883	O[C@@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.544	0.755	0.012	0.259	0.212	0.178	0.004	0.062	0.024	0.039	0.506
Compound_884	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CC[C@H]1O)C	0.538	0.787	0.004	0.136	0.365	0.163	0.012	0.054	0.035	0.119	0.701
Compound_885	O=C(C1COC(O1)(C)C)N1CCCC1	0.06	0.37	0.192	0.528	0.073	0.153	0.256	0.172	0.331	0.078	0.272
Compound_886	COc1ccc2c3c1O[C@@H]1[C@@]43CCN[C@H](C2)[C@]4(O)CC[C@@H]1O	0.561	0.502	0.009	0.305	0.303	0.108	0.02	0.102	0.049	0.046	0.472
Compound_887	COc1ccc2c3c1O[C@@H]1[C@@]43CCNC(C2)[C@]4(O)CC[C@H]1O	0.561	0.502	0.009	0.305	0.303	0.108	0.02	0.102	0.049	0.046	0.472
Compound_888	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)C1CC1	0.417	0.621	0.331	0.241	0.321	0.804	0.02	0.07	0.402	0.898	0.199
Compound_889	COCC(=O)N(c1cccc(c1)F)C1CCN(CC1)CCc1ccccc1	0.765	0.599	0.504	0.214	0.161	0.761	0.002	0.207	0.423	0.109	0.094
Compound_890	CC(=CCCC1(C)C=Cc2c(O1)cc(cc2O)C)C	0.837	0.675	0.683	0.685	0.837	0.428	0.842	0.966	0.825	0.97	0.858
Compound_891	FCc1nc2ccc(cc2c(=O)n1c1ccccc1C)N	0.356	0.633	0.886	0.56	0.365	0.335	0.863	0.897	0.494	0.001	0.2
Compound_892	CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccc(cc1)C	0.384	0.547	0.074	0.182	0.135	0.806	0.015	0.078	0.273	0.544	0.089
Compound_893	COC(=O)C1(CCN(CC1)CCC(=O)O)N(c1ccccc1)C(=O)CC	0.596	0.562	0.011	0.1	0.157	0.058	0.007	0.218	0.352	0.026	0.2
Compound_894	O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1	0.184	0.663	0.009	0.099	0.078	0.549	0.181	0.017	0.058	0.008	0.579
Compound_895	C=CC(=O)N(c1ccccc1F)C1CCN(CC1)CCc1ccccc1	0.434	0.617	0.172	0.251	0.364	0.895	0.009	0.161	0.662	0.902	0.188
Compound_896	CCC(=O)N(C1CCN(CC1F)CCc1ccccc1)c1ccccc1	0.481	0.55	0.111	0.27	0.185	0.77	0.001	0.845	0.177	0.54	0.073
Compound_897	CCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O	0.837	0.698	0.678	0.683	0.885	0.556	0.822	0.967	0.856	0.988	0.912
Compound_898	CNC(C(=O)c1ccccc1Cl)C	0.075	0.197	0.43	0.38	0.105	0.231	0.007	0.384	0.369	0.785	0.281
Compound_899	CCC[C@@H](C(=O)OC)NC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.505	0.706	0.297	0.531	0.194	0.2	0.903	0.628	0.424	0.308	0.2
Compound_900	OCCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.652	0.587	0.777	0.577	0.68	0.707	0.988	0.723	0.428	0.031	0.327
Compound_901	OCCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)F	0.812	0.432	0.84	0.643	0.655	0.62	0.996	0.553	0.383	0.022	0.198
Compound_902	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)N[C@H](C(=O)O)C(C)C	0.482	0.607	0.094	0.306	0.429	0.414	0.517	0.708	0.305	0.183	0.35
Compound_903	OCCCCCn1nc(c2c1cccc2)C(=O)N[C@H](C(=O)O)C(C)C	0.505	0.633	0.055	0.351	0.39	0.428	0.344	0.436	0.294	0.101	0.403
Compound_904	CCCC(=O)N(c1ccccc1)C1CCNCC1	0.31	0.334	0.028	0.271	0.019	0.065	0.001	0.012	0.187	0.367	0.082
Compound_905	CCOC(=O)C1(C)OC1c1ccc2c(c1)OCO2	0.682	0.258	0.77	0.607	0.5	0.318	0.833	0.322	0.333	0.83	0.904
Compound_906	CCCC(=O)N(c1ccccc1OC)C1CCN(CC1)CCc1ccccc1	0.3	0.634	0.143	0.277	0.152	0.58	0.063	0.095	0.445	0.201	0.066
Compound_907	O=C(c1ccc(c2c1cccc2)C)c1cn(c2c1cccc2)CC1CCCCC1	0.802	0.532	0.419	0.552	0.678	0.644	0.997	0.887	0.776	0.979	0.458
Compound_908	FCCCCCn1cc(c2c1cccc2)C(=O)N[C@@H](C(C)(C)C)C(=O)O	0.454	0.567	0.027	0.426	0.251	0.143	0.526	0.85	0.18	0.445	0.5
Compound_909	C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2[C@H](CC4)O)c(cc1)O)O	0.604	0.59	0.022	0.285	0.584	0.152	0.01	0.551	0.02	0.81	0.313
Compound_910	CN(CCc1ccc2c(c1)OCO2)C	0.161	0.451	0.264	0.116	0.013	0.468	0.01	0.017	0.141	0.573	0.305
Compound_911	CCC(=O)N([C@H]1CCN(C[C@H]1C)CCc1cccs1)c1ccccc1	0.782	0.554	0.031	0.163	0.254	0.779	0.013	0.935	0.353	0.284	0.077
Compound_912	CN([C@@H]1CCCC[C@H]1N(C(=O)Cc1ccc(cc1Cl)Cl)C)C	0.158	0.46	0.268	0.307	0.314	0.55	0.141	0.367	0.366	0.226	0.237
Compound_913	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)C1CCC1	0.34	0.533	0.331	0.243	0.507	0.669	0.011	0.061	0.344	0.807	0.181
Compound_914	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)C1CCCCC1	0.392	0.55	0.331	0.243	0.236	0.942	0.031	0.061	0.425	0.807	0.111
Compound_915	COCC(=O)N(c1ccccc1)C1CCNCC1	0.452	0.445	0.057	0.311	0.019	0.125	0.001	0.009	0.168	0.004	0.036
Compound_916	O=C1CC[C@]2(C(=C1Cl)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.976	1.0	0.012	0.813	0.979	0.934	0.285	0.821	0.107	0.994	0.23
Compound_917	Cc1ccc(cc1)N(C(=O)C(C)C)C	0.772	0.407	0.632	0.478	0.077	0.531	0.15	0.015	0.37	0.552	0.33
Compound_918	CNC(Cc1cccc(c1)C(F)(F)F)C	0.071	0.19	0.446	0.349	0.026	0.086	0.099	0.242	0.143	0.053	0.059
Compound_919	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)c1ccccc1	0.534	0.55	0.052	0.127	0.465	0.941	0.132	0.295	0.358	0.807	0.111
Compound_920	CCCCn1cc(c2c1c(OC)ccc2)C(=O)Cc1cccc2c1cccc2	0.324	0.727	0.572	0.521	0.389	0.613	0.996	0.497	0.125	0.033	0.561
Compound_921	O=C(c1cn(c2c1cccc2)C)Cc1cccc2c1cccc2	0.243	0.637	0.863	0.53	0.538	0.567	0.996	0.355	0.108	0.3	0.748
Compound_922	CCCCCn1cc(c2c1cccc2)C(=O)Cc1cccc2c1cccc2	0.421	0.531	0.355	0.545	0.538	0.567	0.996	0.814	0.128	0.359	0.606
Compound_923	On1nnc2c1cc(cc2)C(F)(F)F	0.716	0.372	0.8	0.654	0.587	0.138	0.973	0.806	0.671	0.394	0.832
Compound_924	OC(CN1CCCN(CC1)C(=O)c1cccs1)COc1ccc(c(c1)Cl)Cl	0.256	0.674	0.474	0.279	0.634	0.731	0.02	0.939	0.403	0.165	0.479
Compound_925	COC(=O)c1ccc(nc1C)c1cccs1	0.616	0.707	0.962	0.505	0.4	0.776	0.968	0.007	0.809	0.006	0.523
Compound_926	O=C(c1ccccc1C(=O)O)NCCNc1ccc(cn1)C(F)(F)F	0.069	0.578	0.228	0.398	0.23	0.557	0.083	0.311	0.287	0.005	0.242
Compound_927	O=C(c1ccccc1C(=O)O)NC1CCN(CC1)c1nccc(n1)C(F)(F)F	0.323	0.525	0.005	0.402	0.342	0.638	0.174	0.817	0.412	0.009	0.43
Compound_928	O=C(Nc1ccc(cc1)C(F)(F)F)NC1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F	0.342	0.514	0.515	0.604	0.744	0.82	0.241	0.897	0.714	0.467	0.332
Compound_929	O=C(c1cccs1)N1CCCN(CC1)c1ncnc2c1c(cs2)c1ccccc1	0.532	0.627	0.655	0.55	0.487	0.661	0.985	0.841	0.459	0.402	0.032
Compound_930	CCCCCc1ccc(cc1)C(=NO)N	0.57	0.397	0.279	0.49	0.045	0.536	0.445	0.302	0.665	0.58	0.481
Compound_931	O=C(c1ccc(o1)N(=O)=O)NCc1ccco1	0.149	0.466	0.466	0.361	0.374	0.555	0.015	0.938	0.358	0.302	0.237
Compound_932	O=C(c1ccc(o1)N(=O)=O)Nc1cccc(c1)C(F)(F)F	0.394	0.626	0.961	0.796	0.408	0.561	0.424	0.999	0.479	0.448	0.395
Compound_933	CCCCCCCc1ccc(cc1)C(=O)N=C(Nc1cccc(n1)C)SC	0.272	0.593	0.242	0.592	0.243	0.9	0.242	0.882	0.497	0.924	0.094
Compound_934	NNC(=O)c1sc2c(c1Cl)cccc2	0.629	0.501	0.993	0.501	0.443	0.663	0.998	0.957	0.671	0.605	0.32
Compound_935	Cc1ccc(c(c1)NC(=O)C(c1ccccc1)C1CCCC1)n1cccc1	0.206	0.657	0.042	0.441	0.221	0.645	0.992	0.065	0.489	0.459	0.271
Compound_936	O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSC(=O)c1c(Cl)cccc1Cl	0.665	0.425	0.992	0.717	0.918	0.811	0.999	0.958	0.39	0.94	0.879
Compound_937	COc1cc(CCC(=O)NNC(=S)Nc2ccc(cc2)F)cc(c1OC)OC	0.387	0.608	0.462	0.49	0.404	0.671	0.706	0.493	0.488	0.923	0.393
Compound_938	OCc1cc(=O)c(c(o1)CO)O	0.615	0.288	0.052	0.417	0.233	0.734	0.642	0.124	0.47	0.17	0.302
Compound_939	CN(/C=N/c1nc(C)c(cc1Br)Br)C	0.324	0.472	0.243	0.642	0.26	0.546	0.055	0.69	0.519	0.244	0.019
Compound_940	Clc1ccc(cc1C)c1csc2=NCCCn12	0.313	0.583	0.581	0.533	0.376	0.693	0.102	0.066	0.64	0.048	0.136
Compound_941	N#CCCN(C(=S)Nc1cccc(c1)C(F)(F)F)Cc1ccccc1	0.673	0.494	0.106	0.508	0.61	0.764	0.998	0.965	0.538	0.843	0.784
Compound_942	Clc1ccc(c(c1)C(=O)NNC(=O)c1cccnc1Oc1ccccc1)N	0.669	0.573	0.744	0.512	0.456	0.696	0.897	0.396	0.582	0.18	0.406
Compound_943	FC(Oc1ccc(cc1)c1scc(n1)C12CC3CC(C2)CC(C1)C3)(F)F	0.712	0.607	0.857	0.829	0.733	0.949	0.809	0.97	0.336	0.968	0.959
Compound_944	OC(=O)/C(=C\c1cc(F)cc(c1)F)/NC(=O)C	0.281	0.439	0.097	0.357	0.32	0.059	0.365	0.462	0.413	0.27	0.124
Compound_945	O=C(NC(=O)c1c(F)cccc1F)NCCc1ccncc1	0.231	0.324	0.342	0.364	0.16	0.544	0.014	0.091	0.46	0.005	0.187
Compound_946	Clc1cc2n[nH]nc2cc1F	0.719	0.534	0.918	0.448	0.46	0.327	0.981	0.847	0.949	0.427	0.666
Compound_947	CC(=O)Nc1ccc2c(c1)[nH]c(n2)c1ccc(cc1)c1nc2c([nH]1)cc(cc2)NC(=O)C	0.355	0.765	0.845	0.628	0.656	0.733	0.717	0.779	0.54	0.46	0.834
Compound_948	NC(=S)NN=Cc1ncc(cc1Sc1ccc(cc1)Cl)C(F)(F)F	0.334	0.603	0.872	0.508	0.626	0.65	0.851	0.793	0.457	0.252	0.438
Compound_949	Clc1ccc(cc1)Oc1ccc(cn1)C(=S)N	0.909	0.621	0.191	0.604	0.075	0.64	0.01	0.25	0.341	0.798	0.556
Compound_950	COC(=O)c1cnn(c1/C=N/OC(=O)Nc1ccc(cc1)Cl)c1ccc(cc1F)F	0.479	0.614	0.936	0.695	0.784	0.529	0.976	0.539	0.562	0.898	0.725
Compound_951	N#C/C(=C\c1ccc(cc1)OC)/C(=O)c1noc(c1)C	0.709	0.705	0.595	0.658	0.809	0.661	0.813	0.593	0.619	0.757	0.957
Compound_952	O=C(Nc1onc(n1)c1ccc(cc1)OC(F)(F)F)Nc1cccc(c1)Cl	0.497	0.623	0.995	0.816	0.943	0.899	0.521	0.914	0.511	0.153	0.782
Compound_953	O=C(c1sc(nc1C)c1ccccc1)O/N=C(\c1ccc(o1)N(=O)=O)/N	0.266	0.57	0.876	0.633	0.568	0.667	0.931	0.957	0.464	0.301	0.301
Compound_954	O=C(Cn1nnc(n1)CSc1ccc(cc1)Cl)NNC(=S)Nc1ccccc1C(F)(F)F	0.603	0.578	0.51	0.518	0.64	0.7	0.86	0.768	0.457	0.807	0.5
Compound_955	O=C(Nc1ccc(cc1F)F)CSCC(=O)C	0.683	0.491	0.936	0.627	0.541	0.192	0.901	0.401	0.441	0.534	0.221
Compound_956	CCCC(C(=O)N)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F	0.573	0.596	0.27	0.445	0.728	0.647	0.937	0.404	0.547	0.093	0.5
Compound_957	CCC(C(=O)N)(NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C	0.59	0.64	0.181	0.39	0.708	0.647	0.907	0.329	0.409	0.038	0.632
Compound_958	CC(CCCn1cc(c2c1cccc2)C(=O)O)O	0.318	0.482	0.029	0.392	0.165	0.207	0.238	0.72	0.106	0.002	0.082
Compound_959	CCC(N(C(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C)C(=O)N	0.497	0.676	0.462	0.35	0.703	0.64	0.811	0.433	0.463	0.051	0.399
Compound_960	COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCCC(O)C	0.359	0.645	0.362	0.52	0.427	0.704	0.597	0.498	0.144	0.004	0.366
Compound_961	OCCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.786	0.408	0.618	0.628	0.58	0.695	0.996	0.561	0.364	0.02	0.19
Compound_962	CC(CCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2)C	0.762	0.618	0.961	0.606	0.546	0.573	0.997	0.854	0.511	0.019	0.265
Compound_963	Oc1ccc2c(c1)c(cn2CCN1CCOCC1)C(=O)c1cccc2c1cccc2	0.771	0.658	0.81	0.562	0.833	0.746	0.976	0.384	0.431	0.469	0.639
Compound_964	COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCCCC(=O)O	0.356	0.608	0.596	0.403	0.417	0.671	0.972	0.101	0.157	0.019	0.361
Compound_965	CC(CCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)O	0.49	0.581	0.121	0.461	0.274	0.341	0.261	0.449	0.267	0.005	0.217
Compound_966	CC(CCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2)F	0.819	0.617	0.488	0.59	0.598	0.531	0.996	0.899	0.751	0.073	0.661
Compound_967	CCCCCn1nc(c2c1cccc2)C(=O)N[C@@H](C(=O)O)C(C)C	0.481	0.655	0.045	0.354	0.489	0.424	0.542	0.826	0.3	0.232	0.333
Compound_968	FCC(CCCn1nc(c2c1cccc2)C(=O)NC(C(=O)N)C(C)C)O	0.47	0.591	0.016	0.421	0.506	0.53	0.056	0.812	0.353	0.035	0.459
Compound_969	OCCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1OC	0.399	0.61	0.829	0.57	0.355	0.715	0.718	0.296	0.104	0.013	0.529
Compound_970	OCCCCCn1nc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.614	0.698	0.355	0.514	0.593	0.697	0.513	0.586	0.363	0.004	0.46
Compound_971	FC[C@H](CCCn1nc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3)O	0.592	0.703	0.275	0.531	0.694	0.678	0.124	0.846	0.372	0.079	0.534
Compound_972	CCCC(Cn1nc(c2c1cccc2)C(=O)NC(C(=O)N)C(C)C)F	0.469	0.548	0.077	0.474	0.518	0.553	0.58	0.927	0.528	0.242	0.512
Compound_973	CC([C@@H](C(=O)N)NC(=O)c1nn(c2c1cccc2)Cc1ccccc1F)C	0.578	0.613	0.2	0.403	0.734	0.659	0.955	0.403	0.519	0.037	0.531
Compound_974	Fc1cccc(c1)Cn1nc(c2c1cccc2)C(=O)N[C@H](C(=O)N)C(C)C	0.549	0.609	0.194	0.419	0.734	0.659	0.955	0.458	0.495	0.03	0.607
Compound_975	OCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.53	0.54	0.222	0.483	0.218	0.374	0.34	0.344	0.243	0.035	0.302
Compound_976	OC(=O)[C@H]1O[C@@H](OCCCCCn2cc(c3c2cccc3)C(=O)c2cccc3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.63	0.536	0.145	0.548	0.411	0.576	0.985	0.367	0.38	0.684	0.819
Compound_977	OC(=O)c1nn(c2c1cccc2)CC1CCCCC1	0.476	0.601	0.467	0.372	0.621	0.547	0.076	0.494	0.848	0.145	0.423
Compound_978	CC(CCCn1nc(c2c1cccc2)C(=O)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)O	0.565	0.668	0.119	0.539	0.626	0.667	0.122	0.769	0.357	0.021	0.562
Compound_979	CCCC(Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)F	0.601	0.593	0.594	0.562	0.309	0.271	0.665	0.83	0.511	0.762	0.614
Compound_980	CCCC(Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)O	0.446	0.587	0.22	0.528	0.271	0.276	0.299	0.456	0.416	0.132	0.286
Compound_981	O[C@@H]1[C@@H](O)[C@H](OCCCCCn2cc(c3c2cccc3)C(=O)C2C(C2(C)C)(C)C)OC([C@H]1O)C(=O)O	0.505	0.68	0.029	0.456	0.211	0.536	0.041	0.253	0.3	0.955	0.858
Compound_982	OCCCCCn1cc(c2c1cccc2)C(=O)O	0.344	0.425	0.112	0.411	0.149	0.295	0.142	0.648	0.073	0.008	0.221
Compound_983	O=N(=O)c1cnc(s1)Sc1n[nH]c(=O)n1C	0.298	0.303	0.053	0.432	0.5	0.593	0.007	0.104	0.469	0.064	0.529
Compound_984	CN/C(=C(/C(=O)c1ccc(cc1)C(F)(F)F)\C(=O)OC)/C	0.312	0.508	0.966	0.507	0.272	0.785	0.474	0.856	0.363	0.239	0.885
Compound_985	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)O	0.289	0.402	0.211	0.332	0.152	0.282	0.265	0.465	0.135	0.008	0.258
Compound_986	CCNC1(CCCCC1)c1cccc(c1)O	0.176	0.415	0.029	0.279	0.069	0.21	0.006	0.218	0.112	0.194	0.434
Compound_987	OC[C@H]1O[C@@H](OCCC(=C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.24	0.335	0.015	0.281	0.397	0.335	0.172	0.248	0.476	0.816	0.087
Compound_988	OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)C([C@@]4(C2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.678	0.96	0.012	0.599	0.949	0.914	0.735	0.399	0.812	0.877	0.33
Compound_989	OCC1OC(OCC2OC(OC(=O)C34CCC(C4C4C(CC3)(C(=O)O)C3(C)CCC5C(C3CC4)(C)CCC(=O)C5(C)C)C(=C)C)C(C(C2OC2OC(C)C(C(C2O)O)O)O)O)C(C(C1O)O)O	0.715	0.97	0.008	0.445	0.983	0.855	0.436	0.355	0.408	0.857	0.735
Compound_990	CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@]3([C@@H](C2)CC[C@@H]2C3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.945	1.0	0.0	0.671	0.985	0.944	0.954	0.724	0.971	0.557	0.617
Compound_991	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4C3CC[C@]3([C@]4(O)CC[C@@H]3C3=CC(=O)OC3)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.914	0.98	0.001	0.735	0.956	0.914	0.774	0.281	0.97	0.554	0.008
Compound_992	OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CCC2C1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)O)O	0.952	0.98	0.008	0.687	0.981	0.918	0.92	0.328	0.951	0.554	0.087
Compound_993	COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)C1OCC2C1COC2c1ccc(c(c1)OC)O	0.694	0.747	0.006	0.508	0.977	0.621	0.633	0.058	0.412	0.622	0.949
Compound_994	COc1c(O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.73	0.75	0.168	0.659	0.955	0.686	0.436	0.169	0.751	0.076	0.726
Compound_995	COC1CC(O[C@H]2CC[C@]3(C(=CCC4C3C(O)[C@H]([C@]3([C@]4(O)CC[C@@H]3C(=O)C)C)O)C2)C)OC(C1OC1CC(OC)C(C(O1)C)OC1OC(C)C(C(C1O)O)O)C	0.762	1.0	0.002	0.575	0.966	0.927	0.38	0.746	0.543	0.653	0.103
Compound_996	OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)C([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2C(=CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.861	0.96	0.017	0.546	0.942	0.912	0.506	0.405	0.792	0.652	0.505
Compound_997	OC[C@H]1O[C@@H](OC2C(O)C(O)COC2n2cc(c3c2cccc3)CC(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.55	0.641	0.164	0.378	0.112	0.476	0.063	0.223	0.356	0.726	0.624
Compound_998	CN([C@@H]1CCCC[C@H]1N(C(=O)c1ccc2c(c1)OCO2)C)C	0.111	0.71	0.888	0.197	0.032	0.834	0.011	0.141	0.366	0.315	0.513
Compound_999	Fc1ccc(cc1)N(C(=O)C1CCCO1)C1CCN(CC1)CCc1ccccc1	0.648	0.649	0.1	0.179	0.142	0.708	0.02	0.571	0.428	0.562	0.137
Compound_1000	Fc1ccc(cc1)N(C(=O)c1ccoc1)C1CCN(CC1)CCc1ccccc1	0.433	0.578	0.137	0.167	0.467	0.798	0.734	0.22	0.668	0.217	0.143