Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC(C1)C1CC2(C(C1(Cl)C1(C2(O1)Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl	0.938	0.624	0.442	0.62	0.81	0.645	0.985	0.66	0.299	0.99	0.898
Compound_2	C=CCC1(C(C)C)C(=O)NC(=O)N(C1=O)C	0.095	0.376	0.233	0.414	0.142	0.037	0.001	0.716	0.353	0.364	0.189
Compound_3	COC(=O)C1C(=CCCC1(C)C)C	0.918	0.251	0.634	0.598	0.22	0.017	0.677	0.999	0.522	0.983	0.59
Compound_4	COc1cccc2c1OCC2=O	0.307	0.289	0.855	0.593	0.084	0.066	0.667	0.08	0.355	0.574	0.811
Compound_5	CCC(c1cccc(c1)OC(=O)NC)CC	0.505	0.401	0.144	0.424	0.167	0.058	0.019	0.969	0.317	0.078	0.09
Compound_6	Nc1ccc(c(n1)N)N=Nc1ccccc1	0.952	0.867	0.994	0.801	0.484	0.898	0.089	0.912	0.95	0.059	0.357
Compound_7	Clc1cnc(c(c1)F)F	0.676	0.261	0.958	0.665	0.141	0.092	0.975	0.918	0.979	0.968	0.26
Compound_8	O=C(c1ccc(cc1)C)CC(=O)C(F)(F)F	0.907	0.191	0.468	0.682	0.221	0.881	0.908	0.966	0.412	0.462	0.715
Compound_9	C=CCc1ccccc1OCC(COc1cccc(c1)OCC(COc1ccccc1CC=C)O)O	0.103	0.638	0.243	0.556	0.959	0.736	0.496	0.905	0.13	0.981	0.77
Compound_10	N[C@H](C(=O)N)C(C)C	0.05	0.08	0.011	0.215	0.003	0.001	0.0	0.006	0.419	0.452	0.319
Compound_11	OC(=O)CCCCC(=O)O	0.381	0.021	0.153	0.118	0.045	0.013	0.13	0.083	0.25	0.014	0.07
Compound_12	COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)C2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2	0.809	0.96	0.687	0.546	0.062	0.499	0.976	0.494	0.416	0.546	0.664
Compound_13	Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1	0.294	0.42	0.328	0.283	0.367	0.697	0.004	0.204	0.307	0.003	0.049
Compound_14	CCOc1nc(F)cc2n1c(=S)[nH]n2	0.294	0.408	0.388	0.456	0.057	0.466	0.05	0.012	0.667	0.045	0.574
Compound_15	CC[C@H](c1cccc(c1O)[C@H](CC)C)C	0.397	0.124	0.072	0.608	0.164	0.322	0.03	0.351	0.66	0.988	0.344
Compound_16	CN(CCOCCN(C)C)C	0.139	0.117	0.004	0.102	0.029	0.009	0.006	0.082	0.31	0.064	0.309
Compound_17	OS(=O)(=O)SCCCCCCSS(=O)(=O)O	0.786	0.094	0.059	0.24	0.51	0.499	0.923	0.566	0.389	0.893	0.451
Compound_18	O=C(C(C)C)OOC(C)(C)C	0.787	0.049	0.114	0.506	0.119	0.03	0.74	0.66	0.134	0.889	0.724
Compound_19	CN(C(=O)CCl)OC	0.353	0.126	0.359	0.652	0.493	0.061	0.901	0.99	0.511	0.688	0.828
Compound_20	BrC[C@]1(OC[C@H](O1)COS(=O)(=O)C)c1ccc(cc1Cl)Cl	0.49	0.54	0.74	0.751	0.592	0.78	0.789	0.965	0.389	0.941	0.401
Compound_21	O=C1OC(=O)C2C1CCCC2	0.758	0.171	0.206	0.489	0.131	0.054	0.984	0.976	0.852	0.117	0.412
Compound_22	CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.406	0.438	0.425	0.235	0.085	0.581	0.006	0.008	0.351	0.238	0.425
Compound_23	OCc1onc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)C	0.088	0.268	0.024	0.24	0.156	0.428	0.019	0.014	0.078	0.004	0.133
Compound_24	CC(=O)OCC(=O)C1(O)CCC2C1(C)CC1OC31C2CCC1=CC(=O)C=CC31C	0.939	1.0	0.028	0.955	0.94	0.895	0.06	0.076	0.147	0.133	0.191
Compound_25	N#Cc1ccccc1OCC(CNC(C)(C)C)O	0.013	0.356	0.021	0.175	0.137	0.046	0.001	0.002	0.353	0.006	0.108
Compound_26	O=C1CCCC2=C1C(C)(C)C(C2(C)C)C	0.988	0.658	0.436	0.529	0.33	0.119	0.183	0.876	0.258	0.994	0.531
Compound_27	COc1ccc(cc1)CC(N)C	0.086	0.09	0.481	0.545	0.015	0.55	0.006	0.01	0.562	0.105	0.039
Compound_28	CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2	0.371	0.651	0.233	0.678	0.106	0.329	0.209	0.201	0.485	0.227	0.601
Compound_29	CCCCCCCCCCCC(=O)NCCO	0.058	0.087	0.018	0.253	0.015	0.067	0.001	0.052	0.312	0.034	0.056
Compound_30	CC(CCCC(O)(C)C)N	0.047	0.048	0.018	0.389	0.01	0.037	0.001	0.019	0.43	0.002	0.107
Compound_31	OCCc1ccccn1	0.035	0.183	0.737	0.406	0.021	0.157	0.024	0.777	0.36	0.006	0.372
Compound_32	Oc1cccc2c1cccc2	0.953	0.831	0.932	0.695	0.54	0.163	0.982	0.977	0.914	0.991	0.949
Compound_33	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C	0.699	0.749	0.957	0.69	0.947	0.539	0.998	0.974	0.737	0.649	0.997
Compound_34	ClCC(=C)Cl	0.92	0.241	0.463	0.65	0.599	0.069	0.998	0.988	0.991	0.998	0.946
Compound_35	O=Cc1ccccc1C(F)(F)F	0.919	0.157	0.315	0.712	0.126	0.184	0.997	0.986	0.412	0.997	0.899
Compound_36	CCOC(=O)C1=C(C)C=CCC1(C)C	0.913	0.354	0.772	0.669	0.591	0.583	0.958	0.994	0.805	0.99	0.74
Compound_37	CCN([C@H]1C[C@H](C)S(=O)(=O)c2c1ccs2)C(=O)C	0.382	0.577	0.099	0.437	0.343	0.617	0.15	0.032	0.477	0.418	0.108
Compound_38	OC(=O)c1cccc2c1c(ccc2)c1cccc2c1c(ccc2)C(=O)O	0.723	0.541	0.754	0.563	0.921	0.878	0.935	0.872	0.679	0.088	0.871
Compound_39	O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl	0.571	0.559	0.092	0.399	0.41	0.73	0.319	0.519	0.406	0.197	0.346
Compound_40	N#CC[C@H](C[N+](C)(C)C)O	0.195	0.154	0.003	0.475	0.086	0.027	0.002	0.414	0.146	0.002	0.229
Compound_41	CC1CC=CCCCCCCCCC(=O)OC1	0.958	0.167	0.336	0.678	0.322	0.017	0.989	0.965	0.159	1.0	0.541
Compound_42	O=CC1c2ccccc2N(c2c1cccc2)C(=O)N	0.239	0.523	0.093	0.26	0.51	0.755	0.871	0.005	0.35	0.034	0.227
Compound_43	Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C	0.05	0.476	0.009	0.178	0.019	0.098	0.001	0.024	0.693	0.034	0.084
Compound_44	O=C(C(C)(C)C)OCOP(=O)(OCOC(=O)C(C)(C)C)COCCn1cnc2c1ncnc2N	0.424	0.718	0.142	0.366	0.385	0.48	0.06	0.918	0.391	0.767	0.536
Compound_45	CC(OCCOC(=O)C)C	0.811	0.03	0.318	0.603	0.096	0.03	0.99	0.529	0.929	0.689	0.622
Compound_46	COC(=O)c1ccc2c(c1)C(C)(C)C(=C)N2C	0.567	0.519	0.23	0.568	0.129	0.838	0.915	0.424	0.786	0.415	0.659
Compound_47	OS(=O)(=O)c1cc2C=C(C(=NNc3ccc(cc3)N=Nc3ccc(cc3N)N)C(=O)c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)N)S(=O)(=O)O	0.567	0.503	0.997	0.558	0.739	0.659	0.823	0.707	0.42	0.083	0.205
Compound_48	OCNC=O	0.28	0.085	0.05	0.315	0.2	0.22	0.003	0.235	0.501	0.004	0.59
Compound_49	OC(=O)c1c[nH]c2c(c1=O)cccc2	0.505	0.587	0.729	0.338	0.576	0.194	0.686	0.662	0.438	0.052	0.719
Compound_50	FC(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.948	0.076	0.643	0.603	0.291	0.023	0.97	0.235	0.247	1.0	0.885
Compound_51	CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC	0.802	0.013	0.185	0.77	0.113	0.148	0.985	0.59	0.363	0.996	0.862
Compound_52	Clc1cc2Oc3cc(Cl)c(cc3Oc2c(c1)Cl)Cl	0.957	0.517	0.9	0.648	0.352	0.791	0.948	0.958	0.959	0.988	0.986
Compound_53	OC(=O)C(c1ccccc1O)NCCNC(c1ccccc1O)C(=O)O	0.007	0.5	0.039	0.181	0.243	0.066	0.008	0.019	0.05	0.176	0.11
Compound_54	O=COCCOCCOC=O	0.848	0.041	0.314	0.506	0.079	0.336	0.667	0.574	0.845	0.994	0.862
Compound_55	CC(CN1CCOCC1)(C=NCC1(C)CC(N=CC(CN2CCOCC2)(C)C)CC(C1)(C)C)C	0.182	0.454	0.07	0.158	0.07	0.547	0.007	0.156	0.183	0.346	0.253
Compound_56	CCCCNCC	0.031	0.081	0.034	0.364	0.007	0.006	0.001	0.054	0.468	0.977	0.266
Compound_57	OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2	0.032	0.395	0.179	0.241	0.65	0.098	0.008	0.044	0.145	0.226	0.087
Compound_58	OP(=O)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1	0.946	0.63	0.857	0.39	0.968	0.483	0.996	0.01	0.494	0.093	0.569
Compound_59	CC(N)(C)C	0.263	0.015	0.207	0.41	0.005	0.009	0.234	0.012	0.845	0.773	0.27
Compound_60	CCON	0.682	0.159	0.492	0.51	0.02	0.022	0.56	0.205	0.389	0.527	0.658
Compound_61	CCCCCCCCCCCCCCCCOC(=O)c1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)N1C(=O)OC(C1=O)(C)C)OC(C)C	0.585	0.731	0.451	0.601	0.39	0.552	0.15	0.337	0.403	0.846	0.48
Compound_62	CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C=O	0.972	0.249	0.147	0.521	0.183	0.534	0.982	0.449	0.627	0.998	0.697
Compound_63	NCCCNCCCN	0.048	0.105	0.017	0.311	0.014	0.008	0.0	0.023	0.278	0.137	0.279
Compound_64	NC(=O)c1cccnc1	0.093	0.112	0.058	0.228	0.004	0.017	0.0	-0.0	0.08	0.054	0.065
Compound_65	Cc1cc(Oc2cc(C)cc(c2)S(=O)(=O)O)cc(c1)S(=O)(=O)O	0.547	0.494	0.836	0.38	0.477	0.642	0.861	0.136	0.453	0.416	0.182
Compound_66	CCC(=O)OC(=O)CC	0.675	0.012	0.292	0.595	0.05	0.008	0.99	0.981	0.189	0.716	0.839
Compound_67	SCCC(C(C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.951	0.091	0.329	0.631	0.487	0.284	0.998	0.116	0.402	0.997	0.898
Compound_68	CC1=CC1	0.902	0.38	0.553	0.603	0.086	0.001	0.977	0.982	0.907	0.998	0.82
Compound_69	CCCCCCCCCCCCCCCCCCCN	0.321	0.023	0.057	0.403	0.045	0.317	0.403	0.033	0.773	0.955	0.223
Compound_70	Clc1ccc(c(n1)C(=O)O)Cl	0.293	0.228	0.458	0.403	0.491	0.274	0.903	0.313	0.741	0.573	0.247
Compound_71	CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(c(c1)OS(=O)(=O)O)O)O)O)C(CC(=O)N)O)C	0.678	0.767	0.01	0.451	0.841	0.654	0.769	0.684	0.4	0.248	0.525
Compound_72	CN1CCc2c(C1O)cc1c(c2)OCO1	0.795	0.592	0.376	0.112	0.02	0.215	0.002	0.008	0.16	0.087	0.104
Compound_73	CCC=CCCCCCCCCOC(=O)C	0.984	0.013	0.157	0.697	0.526	0.06	0.998	0.985	0.889	1.0	0.962
Compound_74	O=C(NS(=O)(=O)c1ccc(cc1)N)C=C(C)C	0.09	0.303	0.046	0.375	0.075	0.164	0.082	0.909	0.138	0.056	0.173
Compound_75	CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl	0.048	0.116	0.032	0.104	0.243	0.598	0.004	0.015	0.343	0.056	0.142
Compound_76	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_77	N#C[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)CC[C@]12C	0.933	0.97	0.024	0.667	0.975	0.861	0.049	0.87	0.308	0.417	0.343
Compound_78	COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC	0.631	0.662	0.947	0.442	0.683	0.612	0.913	0.753	0.386	0.092	0.629
Compound_79	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.821	0.051	0.312	0.591	0.44	0.952	0.265	0.592	0.914	0.988	0.5
Compound_80	CC(=O)CC(=O)OCCOC(=O)C(=C)C	0.974	0.176	0.145	0.656	0.531	0.216	0.997	0.866	0.555	1.0	0.895
Compound_81	OCC(=O)NCCCOc1cccc(c1)CN1CCCCC1	0.014	0.296	0.023	0.198	0.008	0.164	0.004	0.051	0.304	0.023	0.021
Compound_82	OCC=C(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C	0.97	0.143	0.63	0.49	0.401	0.368	0.892	0.332	0.121	0.12	0.894
Compound_83	CCS	0.73	0.147	0.113	0.474	0.079	0.074	0.957	0.433	0.953	0.999	0.875
Compound_84	c1ccc(cc1)C=C(c1ccccc1)c1ccccc1	0.896	0.711	0.796	0.594	0.854	0.947	0.999	0.958	0.935	0.998	0.965
Compound_85	O=C1CCCCCCCCCCC1	0.979	0.1	0.32	0.482	0.063	0.055	0.963	0.683	0.401	0.999	0.49
Compound_86	CCC(=CCCC(=O)C)C	0.912	0.048	0.416	0.573	0.079	0.003	0.459	0.912	0.604	1.0	0.98
Compound_87	CCCCCCCCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_88	Oc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2	0.959	0.826	0.946	0.712	0.984	0.959	0.719	0.997	0.849	0.957	0.946
Compound_89	O=C1N(C[C@H]2c3c1cccc3CCC2)[C@@H]1CN2CCC1CC2	0.457	0.514	0.079	0.243	0.027	0.547	0.092	0.275	0.588	0.149	0.084
Compound_90	O=c1c2cc3[nH]c4ccc(cc4c(=O)c3cc2[nH]c2c1cc(cc2)S(=O)(=O)Cl)S(=O)(=O)Cl	0.479	0.404	0.97	0.516	0.65	0.579	0.902	0.821	0.673	0.297	0.534
Compound_91	COc1ccc(cc1)N=Nc1ccccc1	0.971	0.831	0.955	0.733	0.722	0.971	0.984	0.079	0.928	0.972	0.845
Compound_92	COC(=O)C=CC(=O)O	0.895	0.05	0.094	0.394	0.537	0.098	0.98	0.996	0.892	0.556	0.794
Compound_93	ClC(=O)c1ccccc1F	0.981	0.093	0.778	0.71	0.051	0.098	0.999	0.993	0.834	0.999	0.743
Compound_94	O=C(OC1CC(C)(C)NC(C1)(C)C)CCC(=O)OC1CC(C)(C)NC(C1)(C)C	0.167	0.622	0.095	0.405	0.017	0.158	0.373	0.037	0.439	0.864	0.237
Compound_95	c1ccc(cn1)c1n[nH]nn1	0.404	0.504	0.928	0.683	0.102	0.61	0.001	0.396	0.917	0.031	0.38
Compound_96	NC[C@H]1C[C@@]1(c1ccccc1)C(=O)N(CC)CC	0.012	0.435	0.058	0.472	0.009	0.079	0.001	0.005	0.286	0.188	0.2
Compound_97	OC(=O)CCCCC1SCC2C1NC(=O)N2	0.071	0.323	0.023	0.192	0.299	0.096	0.003	0.064	0.193	0.032	0.213
Compound_98	OC1CCC(C2C1=CC(C)C(C2)(C)C(=O)C)(C)C	0.957	0.771	0.143	0.643	0.758	0.541	0.083	0.979	0.174	0.996	0.141
Compound_99	OCOCC12COCN2COC1	0.244	0.27	0.058	0.244	0.037	0.127	0.006	0.775	0.292	0.301	0.654
Compound_100	O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2C(=O)C)C)C	0.955	1.0	0.031	0.817	0.865	0.95	0.009	0.703	0.079	0.974	0.087
Compound_101	CN(CC(=O)c1cccc(c1)O)Cc1ccccc1	0.112	0.432	0.459	0.276	0.39	0.701	0.023	0.433	0.125	0.005	0.044
Compound_102	Cc1ccc(cc1)OC(=O)c1ccc(cc1)Cl	0.836	0.619	0.934	0.712	0.882	0.823	0.783	0.234	0.456	0.958	0.699
Compound_103	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1	0.053	0.212	0.087	0.077	0.179	0.491	0.003	0.861	0.273	0.101	0.087
Compound_104	C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3	0.484	0.856	0.006	0.216	0.82	0.813	0.056	0.985	0.399	0.48	0.437
Compound_105	O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(c(c1)N(=O)=O)N(=O)=O	0.259	0.641	0.417	0.715	0.696	0.231	0.567	0.994	0.441	0.397	0.418
Compound_106	Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl	0.145	0.668	0.975	0.862	0.756	0.674	0.792	0.832	0.485	0.998	0.681
Compound_107	C=Cc1ccc(cc1)O	0.934	0.298	0.522	0.665	0.43	0.764	0.749	0.975	0.851	0.659	0.287
Compound_108	CC(Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O)C	0.652	0.553	0.587	0.741	0.5	0.714	0.351	0.32	0.495	0.4	0.269
Compound_109	Oc1ccc(cc1)C(=O)O	0.571	0.149	0.271	0.474	0.542	0.664	0.905	0.234	0.467	0.022	0.096
Compound_110	Oc1ccc(cc1)c1ccc(cc1Cl)O	0.963	0.749	0.896	0.778	0.978	0.777	0.973	0.937	0.966	0.941	0.965
Compound_111	CC1(C)COB(OC1)B1OCC(CO1)(C)C	0.808	0.426	0.348	0.529	0.526	0.748	0.979	0.688	0.701	0.912	0.662
Compound_112	CCC[C@@H]1CCC(CC1)c1ccc(cc1)C(=O)C	0.92	0.322	0.184	0.482	0.136	0.645	0.401	0.432	0.521	0.996	0.72
Compound_113	Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)C	0.195	0.459	0.023	0.113	0.38	0.322	0.428	0.029	0.345	0.507	0.235
Compound_114	CCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C)C(=O)COC(=O)C	0.972	1.0	0.052	0.979	0.602	0.937	0.078	0.448	0.302	0.379	0.165
Compound_115	N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1	0.894	0.778	0.942	0.683	0.875	0.988	0.998	0.988	0.962	0.989	0.985
Compound_116	ICCC(C(C(F)(F)F)(F)F)(F)F	0.962	0.176	0.61	0.651	0.447	0.221	0.974	0.244	0.241	0.998	0.866
Compound_117	CCCP(=O)(O)O	0.636	0.043	0.036	0.344	0.478	0.185	0.981	0.022	0.752	0.269	0.208
Compound_118	C=CCOC(=O)N1CC(CC1C(=O)N(C)C)SC(=O)c1ccccc1	0.492	0.549	0.256	0.762	0.158	0.338	0.099	0.837	0.287	0.971	0.432
Compound_119	OC(=O)P(=O)(O)O	0.511	0.118	0.011	0.149	0.724	0.114	0.017	0.039	0.713	0.057	0.237
Compound_120	OS(=O)(=O)CCCCS(=O)(=O)O	0.496	0.106	0.061	0.203	0.154	0.185	0.721	0.111	0.245	0.729	0.208
Compound_121	CN([C@@H]1C(=O)C(=C(O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)C	0.584	0.686	0.043	0.238	0.166	0.419	0.005	0.338	0.385	0.111	0.253
Compound_122	O=C1NC(=O)C(=c2[nH]c(=C3C(=O)NC(=O)NC3=O)c3c2cccc3)C(=O)N1	0.352	0.653	0.917	0.33	0.158	0.393	0.178	0.36	0.299	0.037	0.761
Compound_123	CC(c1c(N(=O)=O)c(cc(c1N(=O)=O)C(C)C)C(C)C)C	0.886	0.285	0.696	0.563	0.217	0.176	0.882	0.935	0.672	0.996	0.899
Compound_124	CCOc1cc2ncc(c(c2cc1NC(=O)C)Cl)C#N	0.455	0.675	0.387	0.477	0.456	0.546	0.108	0.372	0.511	0.726	0.901
Compound_125	COCC(OCC(OC)C)C	0.777	0.079	0.373	0.488	0.136	0.088	0.993	0.26	0.572	0.965	0.8
Compound_126	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N	0.711	0.373	0.931	0.247	0.666	0.679	0.888	0.019	0.433	0.05	0.087
Compound_127	OCc1cccc(n1)C=Cc1ccc(o1)N(=O)=O	0.416	0.456	0.217	0.431	0.605	0.625	0.397	0.952	0.572	0.226	0.276
Compound_128	CC(=O)C1CC=C(C1(C)C)C	0.93	0.328	0.414	0.625	0.334	0.022	0.048	0.917	0.477	0.999	0.984
Compound_129	CNC(=O)Oc1cccc(c1)C	0.362	0.343	0.618	0.458	0.084	0.034	0.007	0.968	0.48	0.025	0.031
Compound_130	OC(=O)[C@@H](c1ccc(cc1)O)N	0.016	0.156	0.496	0.296	0.121	0.256	0.008	0.01	0.107	0.002	0.087
Compound_131	C=C(c1ccc(c(c1)Cl)C)CC(Cl)(Cl)Cl	0.94	0.599	0.159	0.72	0.76	0.703	0.988	0.553	0.299	0.998	0.666
Compound_132	Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl	0.991	0.389	0.975	0.736	0.785	0.77	0.995	0.919	0.926	0.995	0.816
Compound_133	OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br	0.29	0.443	0.329	0.371	0.588	0.652	0.002	0.571	0.362	0.034	0.377
Compound_134	O=C(C(C1=CCC=CC1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C	0.178	0.156	0.014	0.182	0.683	0.12	0.001	0.742	0.046	0.172	0.066
Compound_135	OC(=O)CCCCCCCCOC(=O)C=C(C[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C)C	0.947	0.728	0.006	0.383	0.852	0.309	0.919	0.898	0.352	0.837	0.087
Compound_136	O=C1CN2C3CC1CC2CC(C3)OC(=O)c1c[nH]c2c1cccc2	0.311	0.588	0.741	0.282	0.488	0.625	0.442	0.175	0.224	0.142	0.83
Compound_137	O=C(c1ccccc1)C1CCCCC1	0.944	0.264	0.382	0.531	0.133	0.683	0.887	0.186	0.645	0.999	0.77
Compound_138	FC(OC(C(Cl)F)(F)F)F	0.931	0.082	0.64	0.603	0.17	0.042	0.961	0.996	0.441	0.998	0.988
Compound_139	COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.785	0.517	0.793	0.745	0.294	0.347	0.883	0.812	0.445	0.738	0.659
Compound_140	O=C(Nc1ccc(cc1)N(=O)=O)Nc1ccc(cc1)N(=O)=O	0.934	0.594	0.967	0.648	0.446	0.972	0.406	0.984	0.058	0.952	0.596
Compound_141	OCCC(CCCC(C)C)C	0.919	0.111	0.616	0.463	0.063	0.041	0.923	0.148	0.038	0.144	0.538
Compound_142	O=C(c1ccc(cc1)O)Oc1ccc(cc1)OC(=O)c1ccc(cc1)O	0.869	0.735	0.652	0.739	0.998	0.985	0.996	0.053	0.651	0.092	0.86
Compound_143	CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O	0.967	0.704	0.205	0.114	0.885	0.707	0.448	0.473	0.22	0.976	0.07
Compound_144	O=Cc1cccs1	0.837	0.504	0.48	0.492	0.173	0.752	0.999	0.984	0.764	0.987	0.559
Compound_145	CC(NCCNC(C)(C)C)(C)C	0.044	0.068	0.013	0.284	0.009	0.005	0.0	0.004	0.2	0.021	0.206
Compound_146	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C1SCC(O1)n1cc(F)c(nc1=O)N)C(C)C	0.553	0.539	0.013	0.386	0.422	0.091	0.419	0.867	0.475	0.059	0.584
Compound_147	Cc1c(Br)c(Br)c(c(c1Br)Br)C	0.907	0.119	0.565	0.594	0.526	0.587	0.997	0.975	0.746	0.998	0.246
Compound_148	CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=O)C(=C1O)O)O	0.891	0.525	0.135	0.71	0.118	0.424	0.625	0.097	0.185	0.942	0.645
Compound_149	C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C	0.423	0.26	0.574	0.607	0.275	0.126	0.085	0.959	0.535	0.892	0.428
Compound_150	CC(OC(=O)C=CC(=O)OC(CC(C)C)C)CC(C)C	0.963	0.072	0.555	0.626	0.761	0.26	0.998	0.987	0.865	0.99	0.826
Compound_151	OCC1CN2CCN1CC2	0.011	0.256	0.151	0.079	0.01	0.025	0.0	0.31	0.12	0.321	0.125
Compound_152	NC1=NCC2N1c1ccccc1Cc1c2cccc1	0.385	0.574	0.205	0.435	0.422	0.457	0.206	0.041	0.475	0.442	0.278
Compound_153	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_154	OCc1c[nH]c2c1cccc2	0.205	0.429	0.94	0.513	0.252	0.647	0.004	0.607	0.589	0.056	0.786
Compound_155	COc1cc(cc(c1OC)OC)C(=O)N1CCOCC1	0.059	0.664	0.472	0.581	0.029	0.488	0.074	0.062	0.371	0.098	0.088
Compound_156	CCC(=O)c1cccc(c1)Cl	0.836	0.106	0.699	0.621	0.186	0.302	0.984	0.717	0.265	0.988	0.5
Compound_157	NCCCNCCCOCCCCCCCC(CC(C)C)C	0.09	0.149	0.076	0.302	0.021	0.12	0.242	0.025	0.199	0.054	0.131
Compound_158	CCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC	0.936	0.12	0.879	0.627	0.165	0.284	0.977	0.251	0.782	0.993	0.832
Compound_159	Clc1ccc(cc1)C(C(Cl)(Cl)Cl)(c1ccccc1Cl)O	0.579	0.558	0.859	0.665	0.919	0.839	0.449	0.424	0.26	0.998	1.001
Compound_160	ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl	0.407	0.813	0.507	0.673	0.948	0.934	0.927	0.972	0.538	0.998	0.918
Compound_161	O=S1CCON=C1c1cc2c(s1)cccc2	0.649	0.64	0.997	0.484	0.373	0.57	0.929	0.668	0.572	0.334	0.408
Compound_162	CC(CC(O)C)C	0.698	0.075	0.301	0.48	0.02	0.01	0.909	0.112	0.157	0.555	0.405
Compound_163	CSCC[C@H](C(=O)O)NC(=O)C	0.004	0.052	0.028	0.168	0.119	0.004	0.001	0.057	0.282	0.006	0.04
Compound_164	OCCC=C	0.734	0.22	0.114	0.564	0.181	0.035	0.976	0.805	0.043	0.439	0.823
Compound_165	Nc1cccc(c1)n1nnnc1[S-]	0.643	0.434	0.858	0.477	0.286	0.663	0.048	0.268	0.865	0.385	0.519
Compound_166	CC(c1ccc(c(c1C(c1ccccc1)C)C(c1ccccc1)C)O)c1ccccc1	0.807	0.547	0.8	0.645	0.987	0.977	0.122	0.941	0.572	0.995	0.88
Compound_167	CC(NC(=O)c1ccc(cc1)N(=O)=O)CNC(=O)c1ccc(cc1)N(=O)=O	0.125	0.496	0.67	0.328	0.145	0.676	0.039	0.739	0.411	0.767	0.321
Compound_168	CC(=O)OC(C)(C)C	0.763	0.036	0.058	0.57	0.057	0.012	0.718	0.952	0.908	0.931	0.779
Compound_169	C[C@@H]([C@@H](c1cccc(c1)O)O)N	0.063	0.193	0.144	0.27	0.026	0.007	0.002	0.026	0.058	0.015	0.182
Compound_170	CCOc1ccc(cc1)NC(=Nc1ccc(cc1)OCC)C	0.201	0.686	0.751	0.565	0.772	0.87	0.087	0.675	0.267	0.827	0.577
Compound_171	FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F	0.099	0.609	0.04	0.179	0.715	0.499	0.805	0.439	0.459	0.001	0.055
Compound_172	CCCCCCCCCc1ccc(cc1)OCCO	0.688	0.245	0.274	0.545	0.582	0.765	0.834	0.979	0.338	0.872	0.559
Compound_173	CCCCCCCCCCNCCCCCCCCCC	0.321	0.065	0.037	0.451	0.036	0.343	0.412	0.146	0.902	0.937	0.214
Compound_174	CCC(=O)OCc1ccccc1	0.371	0.135	0.529	0.639	0.058	0.034	0.987	0.99	0.204	0.882	0.659
Compound_175	C=CCCC(=O)C1CCCC(C1)(C)C	0.974	0.118	0.268	0.637	0.34	0.033	0.696	0.665	0.174	0.998	0.688
Compound_176	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C1)C	0.983	0.93	0.034	0.77	0.898	0.901	0.007	0.972	0.221	0.997	0.66
Compound_177	O=C(c1ccccc1)Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1	0.882	0.548	0.97	0.692	0.873	0.898	0.958	0.583	0.734	0.975	0.774
Compound_178	Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2	0.465	0.676	0.426	0.298	0.209	0.95	0.759	0.872	0.443	0.285	0.509
Compound_179	O=C=Nc1ccc(cc1)C(c1ccc(cc1)N=C=O)c1ccc(cc1)N=C=O	0.737	0.763	0.866	0.627	0.974	0.995	1.0	0.588	0.712	0.973	0.946
Compound_180	O=CC(=O)C	0.848	0.133	0.387	0.497	0.045	0.484	0.996	0.567	0.693	0.938	0.91
Compound_181	Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O	0.514	0.201	0.983	0.354	0.571	0.552	0.476	0.021	0.4	0.013	0.131
Compound_182	CCCCCCC(=O)OCC=C	0.941	0.009	0.516	0.688	0.482	0.06	0.996	0.996	0.077	1.0	0.94
Compound_183	O=N(=O)c1c2ccccn2nc1S(=O)(=O)C	0.448	0.431	0.183	0.528	0.506	0.53	0.515	0.429	0.565	0.512	0.677
Compound_184	O=C(C(C(=O)C)N=Nc1ccccc1C(F)(F)F)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.498	0.645	0.985	0.679	0.426	0.803	0.133	0.913	0.413	0.057	0.831
Compound_185	Cc1oc(c(c1)C(=O)C)C	0.505	0.16	0.675	0.574	0.031	0.206	0.712	0.665	0.881	0.972	0.888
Compound_186	O=C(C1(O)CCCCC1)c1ccccc1	0.445	0.465	0.132	0.546	0.092	0.743	0.711	0.122	0.31	0.492	0.177
Compound_187	CC(c1ccccc1)NCCC(c1ccccc1)c1ccccc1	0.101	0.416	0.076	0.314	0.261	0.925	0.822	0.017	0.39	0.017	0.099
Compound_188	OB(c1cc(F)c(c(c1)F)F)O	0.964	0.207	0.799	0.66	0.794	0.689	0.991	0.941	0.769	0.995	0.721
Compound_189	OCCN(c1nc(nc(n1)Nc1ccc(cc1)S(=O)(=O)O)Nc1ccc(cc1S(=O)(=O)O)C=Cc1ccc(c(c1)S(=O)(=O)O)Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N(CCO)CCO)CCO	0.738	0.466	0.792	0.359	0.798	0.66	0.974	0.356	0.428	0.167	0.855
Compound_190	CC(C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)CN1CCOCC1	0.119	0.664	0.548	0.176	0.079	0.688	0.343	0.154	0.26	0.066	0.313
Compound_191	ClCC(OC(CCl)C)C	0.912	0.135	0.402	0.64	0.067	0.066	0.998	0.998	0.796	0.988	0.97
Compound_192	CCCC(C(=O)O)CC=C	0.539	0.057	0.076	0.265	0.299	0.004	0.964	0.698	0.15	0.828	0.459
Compound_193	O=c1[nH]c(=O)c2c([nH]1)ncn2C	0.104	0.287	0.028	0.254	0.093	0.119	0.0	0.041	0.672	0.009	0.11
Compound_194	OCC(CBr)(CBr)CBr	0.779	0.094	0.115	0.58	0.156	0.103	0.956	0.906	0.365	0.947	0.936
Compound_195	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O	0.287	0.308	0.184	0.212	0.163	0.648	0.018	0.057	0.384	0.006	0.311
Compound_196	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)O)(C)C	0.767	0.445	0.487	0.732	0.686	0.702	0.977	0.83	0.274	0.96	0.88
Compound_197	CCOC(=O)C=C(COCCN1C(=O)c2c(C1=O)cccc2)N	0.212	0.582	0.263	0.645	0.112	0.274	0.793	0.479	0.549	0.099	0.365
Compound_198	CC(CC(=O)Cl)C	0.917	0.109	0.752	0.648	0.047	0.056	0.997	0.995	0.449	0.98	0.924
Compound_199	ClS(c1ccccc1)(c1ccccc1)c1ccccc1	0.734	0.544	0.763	0.676	0.936	0.933	0.999	0.964	0.874	1.0	0.63
Compound_200	C#CC(CCC=C(CCC=C(C)C)C)(O)C	0.694	0.176	0.183	0.408	0.152	0.215	0.06	0.593	0.511	0.957	0.744
Compound_201	BrCC(C1CCC(C(C1)Br)Br)Br	0.987	0.111	0.36	0.627	0.538	0.632	0.996	0.961	0.609	0.999	0.36
Compound_202	ON=C1CCCCC1	0.831	0.402	0.72	0.484	0.102	0.336	0.851	0.668	0.483	0.871	0.798
Compound_203	OC(=O)Cc1cccc2c1oc1c(C)c(C)ccc1c2=O	0.757	0.677	0.834	0.317	0.474	0.848	0.919	0.823	0.334	0.534	0.167
Compound_204	Brc1ccc2c(c1)sc(=O)[nH]2	0.697	0.475	0.804	0.479	0.528	0.651	0.903	0.11	0.511	0.953	0.579
Compound_205	CC1=CCC(=C(C)C)CC1	0.92	0.184	0.834	0.533	0.188	0.029	0.962	0.931	0.924	0.995	0.675
Compound_206	CSc1nnc(s1)C(F)(F)F	0.84	0.422	0.784	0.638	0.448	0.395	0.807	0.968	0.376	0.191	0.785
Compound_207	O=N(=O)c1cc2c(ncnc2cc1S(=O)(=O)c1ccccc1)Nc1ccc(c(c1)Cl)F	0.756	0.402	0.999	0.605	0.679	0.654	0.654	0.998	0.58	0.916	0.677
Compound_208	CCCCCCCCCCCCN	0.321	0.023	0.057	0.403	0.031	0.069	0.003	0.033	0.773	0.955	0.223
Compound_209	OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C	0.745	0.905	0.013	0.139	0.829	0.907	0.019	0.864	0.061	0.957	0.225
Compound_210	CN(CCc1c[nH]c2c1cccc2)C	0.077	0.526	0.135	0.153	0.209	0.649	0.009	0.112	0.44	0.042	0.111
Compound_211	Nc1c2ccccc2nc2c1cccc2	0.952	0.907	0.989	0.673	0.936	0.898	0.88	0.82	0.701	0.982	0.769
Compound_212	O=C1N(C)CCCN1C	0.157	0.408	0.215	0.485	0.009	0.026	0.002	0.129	0.48	0.122	0.057
Compound_213	O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C	0.738	0.739	0.912	0.708	0.459	0.121	0.259	0.856	0.386	0.407	0.535
Compound_214	CCCCCBr	0.905	0.041	0.309	0.704	0.15	0.02	0.995	0.997	0.849	1.0	0.92
Compound_215	O=N(=O)c1ccc(c(c1)N)O	0.811	0.103	0.983	0.497	0.328	0.407	0.868	0.991	0.746	0.472	0.928
Compound_216	C[C@H]1CCCC(=O)CCCC=Cc2c(C(=O)O1)c(O)cc(c2)O	0.955	0.418	0.944	0.678	0.938	0.925	0.888	0.966	0.353	0.99	0.918
Compound_217	ClCCNCC(C(C(C(CNCCCl)O)O)O)O	0.033	0.118	0.009	0.39	0.229	0.05	0.001	0.032	0.15	0.104	0.153
Compound_218	COc1cc(CN(C)C)c(c(c1)CN(C)C)O	0.172	0.307	0.041	0.313	0.052	0.071	0.015	0.043	0.478	0.049	0.061
Compound_219	Clc1cccc(n1)C(Cl)(Cl)Cl	0.699	0.238	0.475	0.597	0.718	0.778	0.984	0.982	0.157	0.935	0.143
Compound_220	O=C1C(=O)Nc2c1cccc2	0.604	0.364	0.893	0.5	0.177	0.08	0.846	0.756	0.396	0.347	0.602
Compound_221	C=CCC1CC(=O)OC1=O	0.688	0.197	0.375	0.658	0.268	0.021	0.993	1.0	0.473	0.806	0.604
Compound_222	O=C1C(N)[C@@H]2N1C(=C(CS2)CSc1nnnn1CS(=O)(=O)O)C(=O)O	0.145	0.348	0.116	0.104	0.523	0.482	0.001	0.028	0.112	0.024	0.559
Compound_223	Clc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Cl	0.952	0.636	0.843	0.699	0.637	0.762	0.148	0.516	0.35	0.914	0.287
Compound_224	COC(=O)[C@@H](c1ccccc1)N	0.059	0.154	0.665	0.563	0.007	0.014	0.092	0.032	0.367	0.047	0.042
Compound_225	COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1	0.293	0.71	0.149	0.609	0.849	0.87	0.031	0.182	0.42	0.58	0.391
Compound_226	Nc1nc(N)nc(n1)c1ccccc1	0.546	0.797	0.989	0.842	0.288	0.863	0.028	0.67	0.907	0.463	0.607
Compound_227	C=CCCCCCCCCC(=O)N(CCO)CCO	0.544	0.125	0.158	0.588	0.113	0.515	0.016	0.489	0.057	0.14	0.484
Compound_228	Nc1ccn(c(=O)n1)[C@H]1CC[C@H](O1)CO	0.785	0.115	0.016	0.323	0.274	0.098	0.037	0.019	0.13	0.0	0.755
Compound_229	CN(C=CC(=O)c1cccnc1)C	0.077	0.229	0.489	0.37	0.009	0.039	0.0	0.397	0.129	0.049	0.152
Compound_230	Oc1ccc2c(c1)c(ccc2)S(=O)(=O)O	0.774	0.437	0.88	0.518	0.68	0.64	0.892	0.876	0.472	0.908	0.306
Compound_231	CCC(O)C	0.656	0.072	0.054	0.475	0.028	0.013	0.902	0.12	0.239	0.585	0.475
Compound_232	CCC(Cc1c[nH]c2c1cccc2)N	0.132	0.521	0.956	0.367	0.234	0.653	0.022	0.271	0.697	0.263	0.287
Compound_233	COC(=O)CC#N	0.868	0.079	0.169	0.533	0.111	0.015	0.978	0.997	0.511	0.023	0.841
Compound_234	O=C(c1cc2ccccc2cc1O)Nc1ccccc1C	0.82	0.886	0.973	0.751	0.917	0.995	0.974	0.972	0.607	0.949	0.86
Compound_235	CCCCCCC(=O)Cl	0.961	0.042	0.286	0.72	0.048	0.07	1.0	0.999	0.525	1.0	0.979
Compound_236	Nc1cc2c(cc1S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O	0.598	0.378	0.997	0.491	0.697	0.698	0.818	0.502	0.511	0.179	0.299
Compound_237	CCOC(=O)Cn1c(=O)sc2c1c(Cl)ccc2	0.693	0.579	0.975	0.56	0.697	0.617	0.92	0.876	0.384	0.938	0.542
Compound_238	O=C1CCCC(C1)(C)C	0.943	0.177	0.336	0.509	0.057	0.031	0.876	0.614	0.511	0.99	0.515
Compound_239	CC(=C)C(=O)OCCOP(=O)(OCC[N+](C)(C)C)[O-]	0.778	0.155	0.057	0.701	0.372	0.055	0.06	0.508	0.554	0.313	0.516
Compound_240	Nc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1cc2c(c(c1)S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O	0.765	0.318	1.0	0.544	0.706	0.688	0.728	0.841	0.533	0.144	0.261
Compound_241	CN(CCCOC1(CCCCCC1)Cc1ccccc1)C	0.211	0.327	0.001	0.112	0.121	0.188	0.048	0.031	0.337	0.001	0.108
Compound_242	Cc1cc(C)c(c(c1)C)C(=O)c1ccccc1	0.812	0.485	0.859	0.575	0.133	0.609	0.357	0.583	0.883	0.993	0.943
Compound_243	COC(=O)C(=Cc1ccccc1N(=O)=O)C(=O)C	0.901	0.582	0.687	0.601	0.403	0.522	0.996	0.983	0.511	0.993	0.891
Compound_244	CCOC(=O)COc1ccc(c2c1sc1ccccc1c2=O)Cl	0.699	0.654	0.983	0.669	0.747	0.674	0.952	0.955	0.383	0.983	0.826
Compound_245	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C	0.395	0.592	0.077	0.531	0.517	0.098	0.477	0.193	0.216	0.997	0.685
Compound_246	CCC(=O)c1ccc2c(c1)OCO2	0.627	0.229	0.97	0.507	0.186	0.772	0.979	0.777	0.213	0.943	0.763
Compound_247	ClCCNC(=O)N(CCCl)N=O	0.053	0.07	0.058	0.242	0.184	0.432	0.001	0.973	0.725	0.367	0.423
Compound_248	CCCCCCCCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCCCCCCCC	0.931	0.291	0.39	0.673	0.548	0.102	0.995	0.989	0.423	1.0	0.716
Compound_249	c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3	0.949	0.744	0.972	0.65	0.888	0.566	0.998	0.954	0.962	0.998	0.944
Compound_250	CCCCCCCCCCCCCCCCC=C[NH2+]CCC(OC(=O)C)[NH2+]CCC[NH3+]	0.208	0.211	0.441	0.455	0.408	0.384	0.294	0.981	0.692	0.16	0.317
Compound_251	COP(=S)(OC)Cl	0.846	0.212	0.407	0.644	0.271	0.047	0.99	0.999	0.885	0.993	0.704
Compound_252	CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1	0.001	0.513	0.038	0.391	0.017	0.29	0.01	0.019	0.254	0.023	0.343
Compound_253	CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.711	0.473	0.631	0.657	0.92	0.774	0.932	0.986	0.404	0.421	0.233
Compound_254	CCCCCCCCCCCCCCCCOCC(COC(COCC(CO)O)COCCCCCCCCCCCCCCCC)O	0.922	0.369	0.026	0.646	0.267	0.564	0.843	0.077	0.413	0.911	0.164
Compound_255	CCCCC(COC(=O)c1c(C(=O)OCC(CCCC)CC)c(Br)c(c(c1Br)Br)Br)CC	0.977	0.155	0.604	0.594	0.624	0.204	0.996	0.396	0.424	0.998	0.624
Compound_256	CCCCC(COC(=O)c1ccccc1)CC	0.799	0.086	0.237	0.583	0.069	0.149	0.981	0.022	0.71	0.994	0.622
Compound_257	CCCCCOC(=S)S	0.821	0.166	0.039	0.403	0.059	0.285	0.997	0.032	0.775	0.997	0.85
Compound_258	O=C(OCc1ccccc1)NC[C@H]1C[NH+](C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C	0.571	0.616	0.485	0.433	0.252	0.778	0.989	0.695	0.38	0.024	0.631
Compound_259	CCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.457	0.023	0.996	0.987	0.703	1.0	0.856
Compound_260	Cc1nnc(s1)N	0.424	0.354	0.775	0.463	0.058	0.13	0.085	0.582	0.283	0.194	0.15
Compound_261	NC(C(=O)O)Cc1cnc[nH]1	0.065	0.267	0.046	0.159	0.161	0.705	0.001	0.021	0.091	0.002	0.138
Compound_262	CC(c1ccc(cc1)O)c1ccc(cc1)O	0.952	0.733	0.681	0.644	0.887	0.909	0.99	0.855	0.467	0.832	0.779
Compound_263	c1ccc2c(c1)Nc1ccccc1CC2	0.361	0.565	0.766	0.362	0.68	0.427	0.996	0.8	0.619	0.979	0.446
Compound_264	CC(Cc1ccc(cc1)C(COC(=O)C)C)C	0.419	0.144	0.293	0.589	0.112	0.073	0.834	0.378	0.8	0.421	0.225
Compound_265	ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl	0.941	0.517	0.583	0.609	0.755	0.723	0.999	0.995	0.572	0.999	0.403
Compound_266	OCC=CCO	0.768	0.203	0.133	0.544	0.365	0.064	0.976	0.942	0.659	0.511	0.858
Compound_267	OC(=O)CC[C@H](C(=O)C(Cc1c[nH]c2c1cccc2)N)N	0.254	0.453	0.789	0.228	0.16	0.594	0.04	0.128	0.188	0.007	0.175
Compound_268	CC(C1NC(=O)NC1=O)C	0.06	0.113	0.158	0.295	0.04	0.026	0.0	0.011	0.432	0.193	0.367
Compound_269	N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C	0.355	0.514	0.393	0.827	0.088	0.396	0.437	0.036	0.555	0.06	0.533
Compound_270	O=Nc1ccc(cc1)Nc1ccccc1	0.976	0.674	0.989	0.638	0.385	0.876	0.996	0.987	0.95	1.0	0.979
Compound_271	CCN(CCc1cc(N)ccc1C(=O)NC(=O)CC)CC	0.175	0.442	0.007	0.115	0.058	0.397	0.196	0.001	0.295	0.009	0.224
Compound_272	CN=C(Oc1ccc(cc1)Cl)O	0.505	0.34	0.877	0.427	0.211	0.473	0.228	0.194	0.362	0.152	0.141
Compound_273	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.903	0.005	0.251	0.736	0.096	0.106	0.998	0.649	0.517	0.998	0.905
Compound_274	C1CN=C(N1)Nc1cccc2c1CCC2	0.06	0.408	0.215	0.208	0.115	0.292	0.003	0.011	0.239	0.004	0.182
Compound_275	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC	0.983	0.065	0.517	0.726	0.573	0.251	0.997	0.973	0.275	1.0	0.95
Compound_276	CCc1c(O)c(CC)c(c(c1N)C)N	0.401	0.29	0.674	0.562	0.593	0.437	0.697	0.635	0.838	0.728	0.752
Compound_277	OCCSCC(CSCCO)O	0.358	0.129	0.039	0.453	0.349	0.118	0.761	0.097	0.148	0.414	0.608
Compound_278	OC1SCC(SC1)O	0.309	0.337	0.098	0.495	0.171	0.082	0.668	0.249	0.485	0.12	0.09
Compound_279	COC(=O)C(c1ccccc1Oc1ncnc(c1)Cl)C(OC)OC	0.336	0.657	0.689	0.623	0.354	0.555	0.897	0.904	0.381	0.574	0.396
Compound_280	COCCNS(=O)(=O)c1ccc(c(c1)N)O	0.182	0.468	0.004	0.172	0.28	0.54	0.002	0.02	0.279	0.001	0.147
Compound_281	Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.051	0.697	0.726	0.883	0.905	0.938	0.009	0.586	0.436	0.995	0.795
Compound_282	CCCCC(COP(=S)(OCC(CCCC)CC)S)CC	0.883	0.06	0.019	0.354	0.155	0.103	1.0	0.012	0.766	1.0	0.718
Compound_283	Cc1cccc(c1)F	0.917	0.156	0.873	0.656	0.02	0.006	0.994	0.936	0.81	0.997	0.039
Compound_284	Brc1nn(c(c1)C(=O)O)c1ncccc1Cl	0.435	0.469	0.472	0.419	0.605	0.629	0.109	0.09	0.857	0.022	0.393
Compound_285	OCCN(CC(=O)O)CC(=O)O	0.027	0.051	0.033	0.019	0.059	0.006	0.004	0.763	0.55	0.047	0.228
Compound_286	COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C	0.406	0.378	0.101	0.198	0.105	0.61	0.019	0.03	0.372	0.22	0.425
Compound_287	CCCCN=C(N=C(N)N)N	0.174	0.116	0.28	0.522	0.014	0.025	0.0	0.27	0.771	0.107	0.125
Compound_288	C=CCSCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N	0.056	0.309	0.028	0.18	0.099	0.169	0.001	0.07	0.245	0.008	0.087
Compound_289	OCc1ccc(cc1)O	0.556	0.146	0.554	0.594	0.347	0.411	0.939	0.33	0.662	0.022	0.424
Compound_290	CC(Cl)(F)F	0.928	0.086	0.428	0.635	0.173	0.025	0.971	0.935	0.89	0.999	0.881
Compound_291	ClC(=CC=C(Cl)Cl)Cl	0.923	0.418	0.63	0.62	0.507	0.649	0.998	0.995	0.373	0.999	0.882
Compound_292	Cc1ccc(c(c1)Cl)Cl	0.897	0.076	0.964	0.654	0.115	0.099	0.997	0.985	0.746	0.999	0.141
Compound_293	CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)C(=O)CN1CCN(CC1)CC	0.631	0.845	0.041	0.266	0.514	0.666	0.073	0.779	0.511	0.207	0.236
Compound_294	CC1(CC)NC(=O)NC1=O	0.095	0.049	0.108	0.245	0.026	0.036	0.027	0.021	0.329	0.011	0.17
Compound_295	Fc1ccc(cc1)C(=O)c1cc(I)ccc1Cl	0.927	0.406	0.765	0.699	0.688	0.6	0.95	0.707	0.543	0.999	0.91
Compound_296	CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(n2)O)O)O	0.424	0.643	0.114	0.183	0.687	0.639	0.079	0.053	0.489	0.051	0.568
Compound_297	COC(=O)C(c1ccc(cc1)CC(C)C)C	0.226	0.103	0.296	0.526	0.041	0.026	0.617	0.581	0.156	0.498	0.116
Compound_298	COCC(OC)C	0.709	0.064	0.373	0.493	0.056	0.032	0.994	0.26	0.572	0.868	0.822
Compound_299	ClC(Cl)(Cl)Cl	0.927	0.079	0.453	0.591	0.836	0.311	0.839	0.979	0.151	0.999	0.91
Compound_300	CN(c1ccccc1)C(=O)C	0.854	0.382	0.722	0.58	0.059	0.115	0.613	0.039	0.449	0.674	0.207
Compound_301	OCCN(c1nc2cnc(nc2c(n1)N1CCCCC1)N(CCO)CCO)CCO	0.284	0.493	0.004	0.361	0.407	0.445	0.041	0.38	0.435	0.972	0.918
Compound_302	Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O	0.29	0.46	0.121	0.239	0.659	0.898	0.418	0.123	0.632	0.023	0.17
Compound_303	O=C1CC(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C	0.997	1.0	0.272	0.821	0.89	0.884	0.015	0.831	0.095	0.999	0.401
Compound_304	CCCCC(COC(=O)c1cc(ccc1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)CC	0.921	0.113	0.654	0.57	0.17	0.276	0.95	0.013	0.744	0.992	0.769
Compound_305	OC(=O)CC(C(=O)O)Sc1nc2c(s1)cccc2	0.754	0.466	0.667	0.405	0.586	0.697	0.955	0.433	0.511	0.027	0.418
Compound_306	ClCCN(C(=O)NC(P(=O)(OCC)OCC)C)N=O	0.144	0.158	0.366	0.472	0.579	0.505	0.003	0.96	0.5	0.366	0.447
Compound_307	OCC(N(c1c(C)cccc1CC)C(=O)CCl)C	0.816	0.542	0.226	0.72	0.891	0.096	0.905	0.489	0.465	0.043	0.726
Compound_308	CCNc1nc(nc(n1)S(=O)C)NC(C)(C)C	0.826	0.224	0.83	0.336	0.065	0.171	0.0	0.121	0.452	0.976	0.375
Compound_309	COP(=S)(c1ccccc1)Oc1cc(Cl)c(cc1Cl)Br	0.92	0.647	0.367	0.778	0.698	0.652	0.951	0.97	0.814	0.999	0.968
Compound_310	NCCC(P(=O)(O)O)(P(=O)(O)O)O	0.022	0.033	0.002	0.182	0.143	0.138	0.002	0.001	0.141	0.0	0.058
Compound_311	CC(CCCCCCCOP(=O)(c1ccccc1)OCCCCCCCC(C)C)C	0.81	0.219	0.819	0.568	0.391	0.082	0.999	0.515	0.17	0.977	0.444
Compound_312	Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C	0.672	0.524	0.883	0.65	0.725	0.649	0.874	0.081	0.405	0.728	0.087
Compound_313	Brc1cc(Br)c(cc1Oc1ccc(c(c1Br)Br)Br)Br	0.967	0.704	0.922	0.737	0.649	0.652	0.998	0.972	0.53	0.999	0.995
Compound_314	CC(COC(=O)C)C	0.761	0.019	0.162	0.598	0.057	0.017	0.987	0.244	0.621	0.673	0.767
Compound_315	COc1cc(NC(=O)CC#N)c(cc1Cl)Cl	0.581	0.433	0.468	0.592	0.395	0.705	0.914	0.817	0.435	0.259	0.602
Compound_316	CNC(=O)ON=C(C(C)(C)C)CS(=O)(=O)C	0.165	0.172	0.023	0.369	0.169	0.084	0.018	0.817	0.45	0.245	0.543
Compound_317	CCN(CCOC(=O)c1ccc(cc1)NC(=O)c1cccnc1)CC	0.19	0.613	0.192	0.397	0.033	0.165	0.028	0.01	0.26	0.043	0.256
Compound_318	S=c1nc[nH]c2c1[nH]cn2	0.159	0.614	0.27	0.357	0.183	0.879	0.001	0.394	0.442	0.562	0.789
Compound_319	O=C([C@@H]1[C@H](C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F	0.84	0.434	0.742	0.671	0.753	0.309	0.946	0.997	0.058	0.991	0.467
Compound_320	O=C(CC(CC(C)(C)C)C)OCCN1C(C)(C)CC(CC1(C)C)OC(=O)CC(CC(C)(C)C)C	0.116	0.447	0.035	0.196	0.027	0.103	0.027	0.133	0.27	0.891	0.232
Compound_321	Oc1cc(cc(c1O)Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)O	0.867	0.52	0.461	0.68	0.572	0.648	0.705	0.974	0.517	0.996	0.718
Compound_322	N#CC(N=NC(C#N)(C)C)(C)C	0.52	0.107	0.028	0.51	0.149	0.087	0.417	0.949	0.731	0.836	0.714
Compound_323	OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O	0.19	0.591	0.046	0.551	0.954	0.952	0.774	0.042	0.253	0.618	0.519
Compound_324	CCNC(=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.134	0.491	0.025	0.241	0.03	0.009	0.005	0.038	0.307	0.178	0.028
Compound_325	O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C	0.82	0.459	0.499	0.689	0.817	0.216	0.919	0.991	0.218	0.996	0.651
Compound_326	CCCCCCCCS	0.912	0.06	0.113	0.556	0.212	0.261	0.998	0.494	0.997	0.997	0.664
Compound_327	O=c1[nH]n(c2c1cccc2)Cc1ccccc1	0.491	0.652	0.938	0.525	0.121	0.591	0.269	0.245	0.762	0.137	0.271
Compound_328	NNCc1ccccc1	0.396	0.563	0.937	0.548	0.037	0.898	0.013	0.953	0.95	0.014	0.174
Compound_329	NCCCNCCSP(=O)(O)O	0.053	0.17	0.001	0.141	0.05	0.049	0.0	0.003	0.184	0.002	0.141
Compound_330	CCN(CCOc1ccccc1Cc1ccccc1)CC	0.102	0.362	0.23	0.266	0.207	0.516	0.008	0.042	0.101	0.62	0.34
Compound_331	Clc1c2C[N+](Cc2c(c(c1Cl)Cl)Cl)(C)CC[N+](C)(C)C	0.431	0.562	0.135	0.564	0.416	0.717	0.022	0.953	0.058	0.031	0.123
Compound_332	O=N(=O)c1ccccc1C	0.958	0.111	0.766	0.57	0.093	0.086	0.999	0.989	0.526	0.999	0.923
Compound_333	CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2C=Cc1ccccn1	0.578	0.771	0.931	0.549	0.737	0.672	0.922	0.806	0.645	0.203	0.745
Compound_334	OCC(CO)(CO)CO	0.725	0.059	0.115	0.459	0.05	0.092	0.073	0.824	0.375	0.226	0.535
Compound_335	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)C(F)(F)F	0.926	0.532	0.529	0.692	0.181	0.56	0.958	0.995	0.386	0.76	0.9
Compound_336	C[C@@H](Cc1cccc(c1)O)N	0.196	0.15	0.587	0.46	0.033	0.031	0.005	0.187	0.318	0.029	0.033
Compound_337	ClCC(=O)N(c1ccc(cc1)N(=O)=O)C	0.972	0.304	0.769	0.622	0.798	0.506	0.999	0.976	0.528	0.852	0.238
Compound_338	OCC(CC(c1ccccc1)C)C	0.53	0.089	0.102	0.504	0.065	0.06	0.679	0.029	0.184	0.065	0.076
Compound_339	ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC	0.525	0.526	0.858	0.642	0.905	0.25	0.85	0.99	0.532	0.743	0.635
Compound_340	FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F	0.862	0.087	0.473	0.652	0.301	0.095	0.967	0.932	0.286	0.953	0.972
Compound_341	OC[C@]1(C)O[C@@]([C@]([C@]1(C)O)(C)O)(C)n1ncc2c1nc(O)nc2O	0.537	0.763	0.158	0.423	0.449	0.628	0.023	0.248	0.523	0.468	0.863
Compound_342	O=C(N1CCCC1(C)C(=O)O)OC(C)(C)C	0.022	0.359	0.002	0.221	0.026	0.039	0.131	0.535	0.312	0.027	0.156
Compound_343	CCN(C(=O)Nc1ccc(c(c1)C(=O)C)O)CC	0.447	0.564	0.491	0.569	0.431	0.441	0.029	0.122	0.362	0.016	0.079
Compound_344	CCCCCCCCC=CCCCCCCCCN(CCO)CCO	0.769	0.092	0.148	0.203	0.211	0.795	0.68	0.456	0.951	0.267	0.284
Compound_345	CCN1CCCCC1	0.387	0.312	0.038	0.088	0.005	0.062	0.008	0.513	0.523	0.499	0.045
Compound_346	C=C(c1ccccc1)c1ccccc1	0.981	0.706	0.727	0.571	0.23	0.41	0.996	0.917	0.935	0.998	0.949
Compound_347	CCC1(CC)C(=O)NCC(C1=O)C	0.081	0.418	0.09	0.243	0.012	0.071	0.0	0.042	0.415	0.549	0.237
Compound_348	COC1CC(c2cc(OC)cc(c2OP2OC3CCCCC3C3C(O2)CCCC3)C(C)(C)C)C(C(C1)C(C)(C)C)OP1OC2CCCCC2C2C(O1)CCCC2	0.654	0.553	0.045	0.548	0.963	0.6	0.593	0.622	0.552	0.991	0.782
Compound_349	CC(c1cc(ccc1OP(c1ccc(cc1)c1ccc(cc1)P(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.752	0.47	0.886	0.725	0.978	0.592	0.48	0.96	0.842	0.99	0.853
Compound_350	Nc1cccc(c1)O	0.774	0.364	0.955	0.706	0.428	0.061	0.992	0.871	0.367	0.465	0.924
Compound_351	CCOP(=S)(OCC)S	0.839	0.09	0.22	0.303	0.061	0.02	0.978	0.005	0.669	0.999	0.673
Compound_352	O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COS(=O)(=O)C)C)C	0.903	1.0	0.052	0.975	0.376	0.914	0.016	0.052	0.293	0.265	0.377
Compound_353	O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O	0.515	0.28	0.903	0.623	0.865	0.491	0.992	0.302	0.405	0.953	0.876
Compound_354	CC(=O)Nc1cccc(c1)O	0.611	0.322	0.771	0.466	0.491	0.04	0.612	0.524	0.346	0.048	0.339
Compound_355	Oc1ccc(cc1)C1NC(=O)C(NC1=O)C1NC(C(S1)(C)C)C(=O)O	0.15	0.493	0.062	0.205	0.216	0.115	0.007	0.004	0.105	0.053	0.242
Compound_356	CCCC(C(CO)CC)O	0.83	0.15	0.022	0.504	0.05	0.034	0.814	0.039	0.377	0.504	0.396
Compound_357	O=C1CC(=O)OC(O1)(C)C	0.781	0.241	0.186	0.54	0.074	0.047	0.786	0.991	0.736	0.021	0.448
Compound_358	ClC(I)Br	0.911	0.2	0.324	0.575	0.666	0.306	0.974	0.983	0.745	1.0	0.858
Compound_359	CCCCC(CON(=O)=O)CC	0.894	0.109	0.12	0.527	0.056	0.098	0.989	0.62	0.653	0.927	0.568
Compound_360	O=C(c1ccc(cc1)O)c1ccc(cc1)O	0.955	0.794	0.792	0.782	0.905	0.996	0.993	0.633	0.938	0.265	0.881
Compound_361	CC(=C)CC(C)(C)C	0.926	0.086	0.378	0.542	0.187	0.005	0.899	0.984	0.912	0.999	0.915
Compound_362	O=C(c1ccc2c(c1)OCCO2)COC(=O)c1ccccc1I	0.349	0.397	0.965	0.625	0.753	0.488	0.994	0.695	0.38	0.866	0.943
Compound_363	NCCc1cc(OC)c(c(c1)OC)OC	0.137	0.175	0.281	0.584	0.038	0.105	0.007	0.019	0.711	0.002	0.03
Compound_364	COC(CCOC(=O)C)(C)C	0.883	0.008	0.027	0.585	0.091	0.026	0.951	0.713	0.867	0.079	0.603
Compound_365	CCOc1nc(Cl)cc(n1)Cl	0.767	0.15	0.858	0.575	0.207	0.267	0.768	0.334	0.282	0.461	0.47
Compound_366	Brc1c2Oc3ccccc3Oc2c(c(c1Br)Br)Br	0.931	0.501	0.863	0.522	0.652	0.652	0.99	0.685	0.446	0.983	0.978
Compound_367	CC(C1OC(=O)C(C(C)C)N(C)C(=O)C(OC(=O)C(N(C(=O)C(OC(=O)C(N(C1=O)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C	0.14	0.321	0.209	0.514	0.07	0.138	0.072	0.562	0.395	0.258	0.115
Compound_368	N#Cc1cc(Br)c(c(c1)Br)O	0.966	0.139	0.585	0.685	0.685	0.898	0.974	0.952	0.551	0.959	0.973
Compound_369	CC(c1ccccc1C(C)C)c1ccccc1	0.661	0.361	0.68	0.504	0.327	0.163	0.97	0.254	0.494	0.997	0.837
Compound_370	Nc1ncn(c2c1ncn2)C	0.355	0.704	0.398	0.495	0.208	0.315	0.012	0.419	0.974	0.488	0.151
Compound_371	CCCCCCCCCOS(=O)(=O)O	0.976	0.019	0.048	0.28	0.182	0.238	0.949	0.592	0.061	0.845	0.317
Compound_372	Cc1ccc(cc1)S(=O)(=O)OCC1COC(O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl	0.356	0.652	0.932	0.881	0.848	0.728	0.016	0.87	0.396	0.995	0.447
Compound_373	C=CCC1(CCCC)C(=O)NC(=O)NC1=O	0.267	0.404	0.15	0.451	0.174	0.09	0.001	0.94	0.283	0.292	0.31
Compound_374	CCCSSCC=C	0.779	0.06	0.53	0.657	0.375	0.03	0.998	0.983	0.356	1.0	0.884
Compound_375	[O-]C(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)[O-]	0.265	0.697	0.923	0.401	0.975	0.986	0.382	0.817	0.569	0.137	0.918
Compound_376	CCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_377	O=C=NS(=O)(=O)Cc1ccccc1C(=O)OC	0.55	0.404	0.92	0.613	0.036	0.255	0.951	0.702	0.457	0.096	0.471
Compound_378	O=c1occo1	0.767	0.112	0.581	0.454	0.099	0.092	0.965	0.041	0.916	0.832	0.338
Compound_379	Cn1ccc(=O)c(c1C)O	0.267	0.356	0.172	0.459	0.352	0.423	0.01	0.008	0.576	0.004	0.093
Compound_380	Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2	0.053	0.654	0.307	0.06	0.677	0.908	0.031	0.063	0.403	0.945	0.087
Compound_381	Oc1ccc(cc1)c1ccc(cc1)Cl	0.94	0.785	0.829	0.782	0.957	0.957	0.974	0.87	0.912	0.904	0.946
Compound_382	CCCCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_383	Clc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)Cl	0.679	0.418	0.998	0.423	0.637	0.553	0.009	0.367	0.511	0.138	0.515
Compound_384	C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O	0.038	0.435	0.017	0.165	0.042	0.221	0.001	0.004	0.22	0.001	0.08
Compound_385	C=CC(=O)NC(C(=O)OC)O	0.099	0.093	0.113	0.446	0.235	0.064	0.017	0.997	0.352	0.31	0.413
Compound_386	OC(=O)c1ccc2c(c1)[nH]cc2C1CCCC1	0.222	0.437	0.167	0.357	0.42	0.667	0.018	0.758	0.455	0.012	0.55
Compound_387	C=CS(=O)(=O)O	0.758	0.105	0.076	0.246	0.196	0.154	0.915	0.781	0.43	0.888	0.217
Compound_388	O=C=NCC1CC2CC1CC2CN=C=O	0.946	0.417	0.232	0.401	0.201	0.351	0.037	0.024	0.749	0.981	0.767
Compound_389	O=C(N(C)C)Oc1nn(c(c1)C)C(=O)N(C)C	0.419	0.401	0.541	0.572	0.445	0.508	0.017	0.478	0.686	0.148	0.321
Compound_390	CCCCC(C(CC)N)O	0.067	0.094	0.138	0.374	0.018	0.05	0.002	0.077	0.257	0.339	0.093
Compound_391	CNC(=O)N(c1nnc(s1)C(C)(C)C)C	0.175	0.456	0.27	0.371	0.055	0.45	0.001	0.782	0.423	0.06	0.303
Compound_392	COc1c(OC)ccnc1CS(=O)(=O)c1nc2c([nH]1)cc(cc2)OC(F)F	0.409	0.555	0.996	0.56	0.479	0.645	0.783	0.667	0.404	0.055	0.303
Compound_393	CCCCCC(=O)OCC=C	0.924	0.009	0.516	0.688	0.5	0.087	0.994	0.996	0.065	1.0	0.94
Compound_394	CCc1cccc(c1NC(=O)C(=O)O)C	0.533	0.416	0.166	0.402	0.099	0.018	0.933	0.025	0.098	0.018	0.052
Compound_395	CNCC(OC)OC	0.042	0.066	0.041	0.289	0.01	0.002	0.001	0.011	0.332	0.015	0.141
Compound_396	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.925	0.165	0.605	0.63	0.905	0.599	0.994	0.957	0.95	0.994	0.918
Compound_397	CCCCC(COC(=O)c1ccc(cc1)N(C)C)CC	0.712	0.684	0.901	0.567	0.127	0.893	0.818	0.033	0.756	0.433	0.577
Compound_398	Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2=O)O)C	0.953	0.92	0.009	0.387	0.938	0.99	0.007	0.14	0.02	0.989	0.754
Compound_399	CCC[C@@H](C(=O)O)N	0.007	0.004	0.02	0.168	0.015	0.001	0.0	0.001	0.181	0.001	0.013
Compound_400	CC(COC(C)(C)C)O	0.616	0.033	0.012	0.492	0.083	0.093	0.544	0.061	0.44	0.105	0.627
Compound_401	COc1ccc(c(c1)O)C(=O)c1ccccc1O	0.922	0.775	0.958	0.855	0.924	0.918	0.99	0.067	0.491	0.266	0.879
Compound_402	OC(=O)COc1cc(Cl)c(cc1Cl)Cl	0.344	0.113	0.229	0.586	0.45	0.098	0.977	0.902	0.511	0.903	0.337
Compound_403	CC(=O)OC(CNC(=O)c1c(I)c(N)c(c(c1I)C(=O)O)I)COC(=O)C	0.091	0.484	0.018	0.293	0.101	0.232	0.01	0.021	0.392	0.01	0.201
Compound_404	OC1CCC(CC1)C1CC2CC1C(C2(C)C)C	0.928	0.812	0.047	0.453	0.589	0.269	0.059	0.142	0.339	0.99	0.745
Compound_405	OCCS	0.437	0.174	0.115	0.458	0.079	0.159	0.723	0.68	0.592	0.393	0.767
Compound_406	CC12CC3CC(C1)(C)CC(C2)(C3)Cl	1.0	0.37	0.18	0.561	0.757	0.655	0.969	0.883	0.342	0.996	0.605
Compound_407	CC(c1ccccc1)C	0.77	0.131	0.685	0.529	0.058	0.029	0.949	0.348	0.618	0.991	0.177
Compound_408	OC(=O)C(Oc1cccc2c1cccc2)C	0.189	0.637	0.32	0.446	0.161	0.007	0.933	0.479	0.362	0.723	0.419
Compound_409	Nc1nc(=O)c2c([nH]1)n(C)cn2	0.079	0.42	0.198	0.343	0.081	0.112	0.001	0.018	0.511	0.007	0.152
Compound_410	O=C=Nc1ccccc1Cl	0.859	0.533	0.892	0.695	0.244	0.174	0.999	0.975	0.884	0.981	0.857
Compound_411	CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.39	0.619	0.086	0.663	0.014	0.883	0.917	0.667	0.95	0.023	0.085
Compound_412	CCN(CCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)Cc1ccccc1)CC	0.084	0.454	0.005	0.158	0.167	0.042	0.022	0.152	0.39	0.24	0.194
Compound_413	CC(=O)OCC=C(C)C	0.884	0.048	0.661	0.63	0.246	0.016	0.989	0.997	0.919	0.989	0.981
Compound_414	O=CN(C1CC(C)(C)NC(C1)(C)C)CCCCCCN(C1CC(C)(C)NC(C1)(C)C)C=O	0.184	0.416	0.047	0.364	0.006	0.687	0.003	0.031	0.313	0.561	0.294
Compound_415	COc1c(ccc(c1OC)OC)CN1CCNCC1	0.007	0.407	0.046	0.214	0.009	0.084	0.001	0.01	0.492	0.002	0.063
Compound_416	CCC	0.862	0.105	0.287	0.51	0.059	0.017	0.986	0.797	0.868	0.998	0.806
Compound_417	COC(=O)C(=Cc1cccc(c1)N(=O)=O)C(=O)C	0.973	0.565	0.769	0.682	0.353	0.508	0.997	0.944	0.633	0.995	0.851
Compound_418	O=C(Nc1ccccc1Cl)CC(=O)C	0.769	0.403	0.971	0.612	0.245	0.352	0.995	0.688	0.452	0.92	0.346
Compound_419	CCOP(=O)(N=C1SCC(S1)C)OCC	0.595	0.391	0.51	0.571	0.606	0.456	0.995	0.956	0.265	0.943	0.633
Compound_420	C=CCc1ccc(c(c1)Cl)F	0.948	0.256	0.969	0.698	0.371	0.141	0.999	0.978	0.59	0.998	0.33
Compound_421	CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C	0.349	0.272	0.725	0.557	0.243	0.499	0.254	0.908	0.828	0.072	0.598
Compound_422	CNC(=O)NC	0.216	0.095	0.241	0.284	0.149	0.009	0.002	0.931	0.806	0.381	0.192
Compound_423	CC1=CC(=O)CC(C1)(C)C	0.972	0.28	0.584	0.676	0.106	0.06	0.448	0.925	0.546	0.999	0.837
Compound_424	Cc1cc2ccccc2c(c1)C	0.9	0.549	0.982	0.638	0.109	0.095	0.968	0.997	0.986	0.998	0.918
Compound_425	Cc1ccccn1	0.287	0.17	0.563	0.559	0.025	0.132	0.042	0.964	0.926	0.694	0.189
Compound_426	O=C1Oc2ccc(cc2C(C1)c1ccccc1)Br	0.427	0.579	0.548	0.616	0.606	0.627	0.977	0.871	0.436	0.934	0.882
Compound_427	CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C	0.689	0.9	0.996	0.564	0.494	0.699	0.688	0.988	0.916	0.948	0.918
Compound_428	O=C(Nc1ccccc1C)CC(=O)C	0.517	0.288	0.913	0.486	0.066	0.146	0.677	0.167	0.467	0.171	0.146
Compound_429	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.733	0.534	0.229	0.725	0.848	0.992	0.499	0.964	0.702	0.992	0.907
Compound_430	N#CC(c1ccc(c(c1)O)OS(=O)(=O)O)(C(C)C)CCCN(CCc1ccc(c(c1)OC)OC)C	0.117	0.619	0.009	0.155	0.405	0.601	0.015	0.459	0.268	0.514	0.482
Compound_431	CC(CC(O)(C)C)O	0.694	0.015	0.054	0.504	0.024	0.015	0.507	0.096	0.203	0.435	0.488
Compound_432	CC(C(=O)c1ccccc1)N(C)C	0.123	0.228	0.117	0.175	0.007	0.109	0.008	0.313	0.232	0.3	0.141
Compound_433	CCC=CCCOC(=O)c1ccccc1O	0.564	0.406	0.142	0.658	0.378	0.132	0.087	0.765	0.183	0.981	0.79
Compound_434	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)n1nc2c(n1)cccc2	0.312	0.775	0.811	0.662	0.285	0.901	0.563	0.259	0.827	0.955	0.792
Compound_435	Oc1c(O)cccc1P(c1ccccc1)c1ccccc1	0.537	0.608	0.647	0.636	0.99	0.332	0.993	0.979	0.875	0.981	0.873
Compound_436	COC(Cc1ccccc1)OC	0.391	0.107	0.768	0.553	0.02	0.23	0.999	0.372	0.658	0.535	0.136
Compound_437	CCCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C	0.933	0.394	0.979	0.719	0.36	0.643	0.422	0.855	0.491	0.173	0.085
Compound_438	O=Cc1ccccc1C=O	0.951	0.096	0.403	0.548	0.051	0.212	0.995	0.088	0.95	0.843	0.918
Compound_439	ClCC(=O)C1(Cl)CC1	0.965	0.288	0.257	0.653	0.475	0.173	0.991	0.977	0.75	0.999	0.992
Compound_440	CSCCOP(=S)(OC)OC	0.709	0.037	0.693	0.599	0.12	0.043	0.982	0.733	0.572	0.963	0.652
Compound_441	COC(=C)C	0.885	0.238	0.402	0.538	0.059	0.004	0.988	0.9	0.85	0.996	0.914
Compound_442	BrC1C=CC(C(C1Br)Cl)Br	0.974	0.251	0.803	0.664	0.554	0.235	0.996	0.993	0.851	0.999	0.358
Compound_443	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.698	0.927	0.912	0.98	0.417	0.846	0.401
Compound_444	OCC(C(CO)O)NC(=O)c1c(I)c(N(C(=O)CC(=O)N(c2c(I)c(C(=O)NC(C(CO)O)CO)c(c(c2I)C(=O)NC(C(CO)O)CO)I)C)C)c(c(c1I)C(=O)NC(C(CO)O)CO)I	0.067	0.548	0.048	0.525	0.218	0.584	0.054	0.053	0.394	0.129	0.333
Compound_445	COc1cccc(c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)OC	0.098	0.35	0.002	0.158	0.237	0.101	0.073	0.553	0.076	0.262	0.077
Compound_446	CC(C(=O)c1ccc2c(c1)OCO2)N1CCCC1	0.117	0.516	0.794	0.117	0.068	0.469	0.018	0.158	0.26	0.364	0.49
Compound_447	NCCOCCN	0.129	0.072	0.037	0.383	0.011	0.005	0.001	0.008	0.27	0.109	0.302
Compound_448	COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O	0.359	0.338	0.033	0.224	0.138	0.592	0.008	0.164	0.398	0.089	0.245
Compound_449	CC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2	0.051	0.561	0.723	0.154	0.834	0.6	0.657	0.844	0.68	0.594	0.635
Compound_450	Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCNCC1)Cn1cncc1	0.037	0.662	0.41	0.563	0.911	0.837	0.022	0.854	0.387	0.363	0.239
Compound_451	COc1cc(NS(=O)(=O)c2ccccc2)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.472	0.446	0.368	0.341	0.662	0.547	0.941	0.387	0.422	0.055	0.307
Compound_452	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C	0.983	0.93	0.234	0.786	0.898	0.901	0.007	0.971	0.053	0.997	0.66
Compound_453	OC(=O)C1CCN=C(N1)C	0.017	0.305	0.181	0.242	0.057	0.005	0.0	0.086	0.041	0.001	0.014
Compound_454	OC(=O)CN([C@H](CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)COP(=O)(OC1CCC(CC1)(c1ccccc1)c1ccccc1)O)CC(=O)O	0.28	0.527	0.004	0.108	0.797	0.23	0.141	0.042	0.462	0.074	0.298
Compound_455	OCCS(=O)(=O)c1ccc(cc1)NC(=O)C	0.274	0.199	0.193	0.461	0.225	0.277	0.193	0.005	0.334	0.003	0.095
Compound_456	CC(c1ccc(cc1)Oc1ccc(cc1)N)(c1ccc(cc1)Oc1ccc(cc1)N)C	0.767	0.629	0.909	0.607	0.997	0.997	0.954	0.727	0.79	0.019	0.953
Compound_457	COC(=O)C(c1ccc(cc1)O)N	0.066	0.177	0.907	0.591	0.097	0.176	0.023	0.059	0.268	0.005	0.059
Compound_458	CCCCCCCCCCCCOC(=O)c1ccc(c(c1)N)Cl	0.656	0.409	0.97	0.622	0.482	0.431	0.928	0.168	0.66	0.982	0.679
Compound_459	Cc1cc(Cc2cc(C)c(c(c2)C)O)cc(c1O)C	0.767	0.601	0.596	0.552	0.699	0.984	0.061	0.951	0.897	0.99	0.887
Compound_460	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.756	0.584	0.295	0.635	0.551	0.681	0.997	0.992	0.788	0.362	0.528
Compound_461	CCC(=C(c1ccccc1)c1ccccc1)CN	0.238	0.465	0.049	0.448	0.114	0.55	0.485	0.012	0.697	0.941	0.395
Compound_462	Cc1ccc(cc1C)C(C)(C)C	0.739	0.103	0.723	0.582	0.095	0.059	0.707	0.228	0.879	0.998	0.393
Compound_463	CC(=O)OC1C(OC(=O)C)OC(C1OC(=O)C)C	0.706	0.213	0.282	0.526	0.069	0.124	0.994	0.697	0.8	0.099	0.569
Compound_464	Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)O)C(C)C	0.227	0.574	0.655	0.682	0.903	0.879	0.051	0.56	0.439	0.993	0.3
Compound_465	CC(c1cc(N=C2C=CC(=O)C=C2)c(cc1O)C)C	0.193	0.546	0.979	0.758	0.943	0.888	0.345	0.927	0.909	0.922	0.705
Compound_466	OC1CC2C(C1O)(C)CCC1C2CCc2c1ccc(c2)OCc1ccccc1	0.891	0.856	0.014	0.472	0.99	0.917	0.491	0.828	0.096	0.929	0.901
Compound_467	Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1	0.843	0.82	0.862	0.82	0.181	0.863	0.027	0.693	0.318	0.233	0.571
Compound_468	O=CC=CC12CCC(c3c1cccc3)c1c2cccc1	0.621	0.686	0.813	0.605	0.817	0.935	0.998	0.798	0.741	0.998	0.994
Compound_469	C=CC(=C)CCC=C(C)C	0.868	0.095	0.76	0.572	0.204	0.015	0.943	0.991	0.853	0.988	0.954
Compound_470	N#CNC(=NCCSCc1nc[nH]c1C)SC	0.215	0.48	0.556	0.389	0.338	0.759	0.0	0.056	0.381	0.014	0.348
Compound_471	CCCCCCCCCCCCCCCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	0.95	0.341	0.95	0.519	0.79	0.773	0.983	0.99	0.443	1.0	0.851
Compound_472	C1COC(O1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.286	0.575	0.496	0.553	0.955	0.872	0.997	0.465	0.35	0.905	0.756
Compound_473	CC(c1ccc(c(c1)C)C)c1ccc(c(c1)C)C	0.87	0.399	0.723	0.519	0.25	0.217	0.895	0.642	0.81	0.999	0.829
Compound_474	OC(=O)c1snc(c1Cl)Cl	0.315	0.547	0.888	0.382	0.484	0.52	0.993	0.751	0.736	0.572	0.766
Compound_475	C=CC(=O)OCC(C)C	0.973	0.021	0.349	0.763	0.58	0.221	0.998	0.998	0.697	0.988	0.813
Compound_476	CN(c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.932	0.294	0.931	0.569	0.554	0.256	0.962	0.951	0.663	0.987	0.838
Compound_477	ONC(=N)CC(COc1cccc2c1cccc2)O	0.097	0.542	0.69	0.427	0.298	0.56	0.444	0.274	0.502	0.3	0.354
Compound_478	O=C1N(c2ccc(cc2)Cc2ccc(cc2)N2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br	0.943	0.664	0.72	0.533	0.656	0.505	0.99	0.948	0.42	0.977	0.884
Compound_479	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)[C@]([C@H](O)C)(O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.638	0.769	0.007	0.249	0.858	0.692	0.046	0.07	0.394	0.841	0.786
Compound_480	[O-]C(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3F)F	0.566	0.407	0.719	0.351	0.223	0.089	0.916	0.932	0.396	0.362	0.662
Compound_481	C=COC(=O)CCCCC(C)(C)C	0.804	0.026	0.341	0.565	0.214	0.026	0.973	0.987	0.153	0.996	0.74
Compound_482	OCC=C(C)C	0.756	0.118	0.184	0.525	0.099	0.009	0.5	0.855	0.511	0.269	0.951
Compound_483	Cc1cc(OCCCS(=O)(=O)C)cc(c1Br)C	0.383	0.485	0.319	0.645	0.59	0.664	0.777	0.721	0.418	0.978	0.535
Compound_484	Nc1cccc(c1)N	0.88	0.273	0.968	0.652	0.073	0.212	0.946	0.974	0.92	0.947	0.628
Compound_485	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.933	0.693	0.832	0.782	0.974	0.964	0.9	0.875	0.695	0.875	0.971
Compound_486	OCC(C=O)(CO)C	0.65	0.067	0.102	0.46	0.065	0.319	0.649	0.302	0.332	0.23	0.321
Compound_487	N#Cc1ccccc1N1CCCCC1	0.598	0.456	0.097	0.514	0.47	0.069	0.139	0.916	0.851	0.094	0.552
Compound_488	Nc1ccc(c(c1)Cl)C	0.766	0.173	0.828	0.544	0.555	0.467	0.999	0.881	0.86	0.985	0.249
Compound_489	O(CCN1CCOCC1)CCN1CCOCC1	0.08	0.328	0.064	0.065	0.032	0.024	0.006	0.309	0.22	0.468	0.193
Compound_490	COCCOc1cc(C(=O)OCC)c(cc1OCCOC)N	0.216	0.483	1.001	0.636	0.411	0.465	0.827	0.168	0.38	0.042	0.485
Compound_491	C1CCCN1	0.03	0.213	0.034	0.383	0.014	0.014	0.001	0.035	0.442	0.099	0.163
Compound_492	OCC(C(C(C)C)O)(C)C	0.69	0.08	0.03	0.456	0.079	0.042	0.707	0.199	0.191	0.128	0.445
Compound_493	CC1=CC(C)CC2(C)CCC(O2)C23CCC(O3)(CC(O2)C2OC(CC2=O)(C(C2OC3(OC(C(C(=O)OC4C(C=C1)OC(C4)C1(O)OCCC(C1O)C)C)CCC3)CC2)O)C)C	0.612	0.96	0.003	0.562	0.81	0.654	0.837	0.986	0.612	0.353	0.974
Compound_494	C=Cc1ccc(cc1)C(C)(C)C	0.932	0.151	0.685	0.601	0.125	0.134	0.831	0.822	0.862	0.997	0.383
Compound_495	CCCCC(CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C	0.915	0.745	0.041	0.537	0.847	0.446	0.517	0.852	0.245	0.959	0.851
Compound_496	OCC(CNc1ccc(cc1N(=O)=O)C(F)(F)F)O	0.671	0.379	0.62	0.447	0.762	0.081	0.18	0.212	0.3	0.01	0.623
Compound_497	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC	0.682	0.709	0.449	0.271	0.141	0.265	0.005	0.37	0.151	0.235	0.17
Compound_498	NCCOCCO	0.061	0.059	0.011	0.302	0.03	0.028	0.002	0.022	0.064	0.016	0.28
Compound_499	CC(=O)SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C	0.047	0.435	0.021	0.251	0.303	0.045	0.236	0.196	0.202	0.398	0.107
Compound_500	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	0.724	0.675	0.958	0.79	0.519	0.898	0.613	0.622	0.976	0.055	0.193
Compound_501	Fc1ccc(c(c1)F)Br	0.997	0.093	0.849	0.629	0.257	0.176	0.999	0.925	0.831	1.0	0.447
Compound_502	OCCOCCOC(=O)c1c(Br)c(Br)c(c(c1C(=O)OCC(O)C)Br)Br	0.845	0.177	0.372	0.555	0.627	0.229	0.637	0.339	0.407	0.984	0.378
Compound_503	CC(OC(=O)NP(=O)(N)N)C	0.431	0.124	0.065	0.244	0.173	0.102	0.318	0.042	0.565	0.004	0.212
Compound_504	CNC(Cc1ccc(cc1)OC)C	0.023	0.117	0.43	0.384	0.014	0.444	0.001	0.014	0.255	0.186	0.054
Compound_505	CCNC(=S)OC(C)C	0.088	0.131	0.27	0.362	0.009	0.129	0.007	0.649	0.768	0.996	0.491
Compound_506	Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)C	0.149	0.329	0.026	0.132	0.226	0.208	0.262	0.045	0.41	0.544	0.197
Compound_507	OCCCCCCN(C)C	0.387	0.066	0.007	0.09	0.012	0.213	0.001	0.079	0.056	0.028	0.185
Compound_508	CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC	0.844	0.104	0.295	0.635	0.186	0.192	0.987	0.319	0.355	0.991	0.784
Compound_509	COC(=O)CSc1nncn1c1ccc(c2c1cccc2)C1CC1	0.513	0.592	0.553	0.542	0.466	0.714	1.0	0.897	0.439	0.068	0.677
Compound_510	CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC	0.935	0.423	0.286	0.593	0.869	0.695	1.0	0.971	0.985	1.0	0.865
Compound_511	CCOC(=O)c1nc([nH]c1C(O)(C)C)CCC	0.572	0.461	0.334	0.519	0.333	0.643	0.171	0.081	0.349	0.003	0.341
Compound_512	N#CC(=NOCC1OCCO1)c1ccccc1	0.752	0.538	0.35	0.466	0.409	0.695	0.996	0.595	0.303	0.813	0.905
Compound_513	Cc1c[nH]nc1	0.61	0.282	0.027	0.424	0.389	0.507	0.006	0.126	0.809	0.501	0.594
Compound_514	O=CCCCc1ccc(cc1)C(=O)N[C@H](C(=O)OCC)CCC(=O)OCC	0.26	0.207	0.323	0.43	0.064	0.499	0.848	0.396	0.394	0.64	0.039
Compound_515	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Br)cn2)F	0.497	0.594	0.994	0.651	0.55	0.677	0.921	0.852	0.417	0.127	0.592
Compound_516	N#CC(=Cc1ccc(cc1)N)C(=O)O	0.62	0.496	0.157	0.235	0.842	0.337	0.963	0.12	0.56	0.059	0.947
Compound_517	Clc1nc(N2CCCCC2)c2c(n1)c(nc(n2)Cl)N1CCCCC1	0.384	0.713	0.031	0.416	0.896	0.65	0.15	0.753	0.87	0.578	0.078
Compound_518	OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O	0.02	0.572	0.208	0.29	0.109	0.786	0.002	0.191	0.263	0.012	0.062
Compound_519	O=CCC(CCCC(O)(C)C)C	0.795	0.076	0.044	0.441	0.112	0.212	0.919	0.464	0.178	0.737	0.378
Compound_520	CCCCC[C@H]([C@@H]1CC(=O)OC1=O)C=C	0.882	0.199	0.414	0.662	0.406	0.014	0.972	0.999	0.641	0.999	0.826
Compound_521	CCNC1(CCCCC1=O)c1cccc(c1)OC	0.11	0.439	0.112	0.432	0.035	0.292	0.003	0.02	0.088	0.001	0.306
Compound_522	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.848	0.699	0.77	0.628	0.888	0.824	0.974	0.99	0.414	0.982	0.809
Compound_523	OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O	0.053	0.399	0.011	0.143	0.119	0.092	0.001	0.01	0.047	0.001	0.131
Compound_524	Oc1ccc(cc1)C(c1ccc(cc1)O)c1ccccc1	0.882	0.775	0.689	0.655	0.997	0.996	0.985	0.743	0.445	0.651	0.915
Compound_525	Oc1c(O)c2cccnc2c2c1cccn2	0.59	0.735	0.867	0.527	0.518	0.838	0.887	0.829	0.9	0.705	0.991
Compound_526	CCOCCC(CCCC(C)C)C	0.956	0.094	0.862	0.481	0.062	0.057	0.988	0.138	0.165	0.999	0.925
Compound_527	CN(CCCN(C)C)CCCN(C)C	0.226	0.289	0.005	0.154	0.026	0.046	0.013	0.042	0.528	0.056	0.321
Compound_528	C=Cc1ccccn1	0.585	0.258	0.584	0.534	0.032	0.195	0.064	0.978	0.901	0.876	0.426
Compound_529	COc1ccccc1c1nc2c([nH]1)cc(cc2)Cl	0.617	0.781	0.901	0.604	0.626	0.724	0.543	0.271	0.535	0.743	0.92
Compound_530	CCC(=O)OC(C(C)C)Br	0.739	0.04	0.198	0.706	0.168	0.033	0.993	0.999	0.216	0.937	0.903
Compound_531	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C	0.981	1.0	0.079	0.918	0.608	0.859	0.423	0.937	0.056	0.955	0.087
Compound_532	Fc1ccc(cc1)[C@@H]1[C@@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	0.24	0.551	0.801	0.442	0.427	0.68	0.06	0.778	0.477	0.007	0.209
Compound_533	CCOC(=O)Nc1cccc(c1)O	0.75	0.412	0.976	0.679	0.612	0.309	0.616	0.443	0.157	0.004	0.236
Compound_534	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.916	0.064	0.019	0.354	0.11	0.1	0.996	0.012	0.497	0.932	0.485
Compound_535	OCC#CC1(O)C2CC2C2C1(C)CCC1C2C2CC2C2(C1(C)CCC(C2)O)O	0.892	0.887	0.031	0.577	0.928	0.802	0.069	0.251	0.35	0.489	0.262
Compound_536	CCCCC(C(=O)Nc1cc(C)ccc1O)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.658	0.689	0.191	0.486	0.376	0.72	0.602	0.348	0.475	0.034	0.242
Compound_537	COC(=S)SC	0.845	0.133	0.407	0.51	0.188	0.391	0.977	0.939	0.756	0.999	0.804
Compound_538	CNc1c(C)n(n(c1=O)c1ccccc1)C	0.059	0.323	0.285	0.276	0.148	0.092	0.004	0.043	0.624	0.177	0.21
Compound_539	NCCCN(CCCN)C	0.048	0.179	0.002	0.134	0.007	0.007	0.001	0.099	0.286	0.043	0.223
Compound_540	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O	0.532	0.536	0.454	0.307	0.286	0.742	0.375	0.315	0.374	0.064	0.476
Compound_541	O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1ccc(cc1O)N(=O)=O	0.904	0.477	0.849	0.66	0.568	0.353	0.893	0.914	0.382	0.099	0.768
Compound_542	COC(=O)CN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O)CC(=O)OC	0.825	0.736	0.715	0.545	0.688	0.652	0.18	0.754	0.462	0.946	0.538
Compound_543	Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N	0.689	0.697	0.971	0.597	0.695	0.786	0.999	0.965	0.925	0.993	0.931
Compound_544	CNC(=O)c1c(I)c(C(=O)O)c(c(c1I)N)I	0.119	0.487	0.025	0.328	0.125	0.211	0.008	0.114	0.357	0.042	0.104
Compound_545	C1CCCCNC1	0.05	0.081	0.037	0.47	0.067	0.081	0.001	0.03	0.612	0.193	0.191
Compound_546	Clc1ccc(cc1S(=O)(=O)N)S(=O)(=O)N(CC1(C)CCCO1)C	0.356	0.511	0.006	0.225	0.299	0.098	0.168	0.019	0.383	0.822	0.435
Compound_547	COP(=O)(CCOC(=O)C)OC	0.742	0.044	0.2	0.652	0.395	0.376	0.906	0.767	0.801	0.215	0.597
Compound_548	C[C@@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O	0.299	0.456	0.014	0.206	0.19	0.164	0.001	0.047	0.068	0.077	0.202
Compound_549	CNC(=NC)NCc1ccccc1	0.274	0.214	0.429	0.444	0.006	0.392	0.001	0.022	0.39	0.006	0.035
Compound_550	COc1ccc(cc1N)c1ccccc1	0.769	0.639	0.991	0.8	0.25	0.351	0.997	0.952	0.888	0.976	0.931
Compound_551	OC(=O)c1ccc(cc1)S(=O)(=O)NCn1nnc2c1cccc2	0.145	0.408	0.005	0.172	0.546	0.565	0.026	0.524	0.22	0.007	0.389
Compound_552	Nc1nc2c(s1)cc(cc2)OC(F)(F)F	0.952	0.76	0.99	0.8	0.409	0.898	0.043	0.899	0.746	0.517	0.918
Compound_553	Oc1cc(C)c(c(c1)C)C	0.799	0.084	0.82	0.596	0.363	0.257	0.853	0.878	0.84	0.982	0.43
Compound_554	CC(c1ccc(cc1)C(C)C)C	0.738	0.106	0.654	0.533	0.077	0.06	0.753	0.473	0.886	0.996	0.207
Compound_555	O=C([C@@H]1CCCN1)NCCc1ncc[nH]1	0.058	0.389	0.033	0.248	0.25	0.747	0.001	0.041	0.34	0.025	0.209
Compound_556	CCN(c1ccc2c(c1)Oc1c(C2(O)c2ccccc2C(=O)O)c2ccccc2cc1)CC	0.531	0.812	0.478	0.492	0.986	0.784	0.755	0.5	0.466	0.058	0.867
Compound_557	OC(=O)c1ccc(cc1)C	0.41	0.091	0.215	0.273	0.088	0.14	0.931	0.373	0.271	0.084	0.051
Compound_558	COC(=O)CC(CC(C)(C)C)C	0.75	0.002	0.169	0.411	0.077	0.014	0.922	0.961	0.387	0.345	0.646
Compound_559	CC(CCON=O)C	0.739	0.085	0.74	0.473	0.027	0.03	0.977	0.043	0.058	0.215	0.768
Compound_560	OCc1cnc(c2c1COC(O2)(C)C)C	0.247	0.55	0.334	0.387	0.026	0.266	0.004	0.021	0.465	0.628	0.493
Compound_561	O=C(C(C)(C)C)NNCc1ccccc1	0.189	0.213	0.946	0.375	0.039	0.663	0.004	0.089	0.424	0.029	0.149
Compound_562	Cc1ccc(c(c1)C)N=c1sccn1C	0.283	0.463	0.767	0.545	0.146	0.234	0.501	0.045	0.883	0.559	0.102
Compound_563	CC(=O)OCC(=O)[C@@]12OC3(O[C@@H]1C[C@@H]1C2(C)C[C@H](O)[C@]2(C1CCC1=CC(=O)C=CC21C)F)CCCC3	0.944	1.0	0.082	0.98	0.91	0.898	0.763	0.04	0.306	0.405	0.101
Compound_564	CN(CCOCC(=O)NC12CC3CC(C2)CC(C1)C3)C	0.081	0.398	0.002	0.321	0.025	0.541	0.466	0.141	0.35	0.019	0.105
Compound_565	O=CC(Cl)Cl	0.927	0.085	0.407	0.584	0.247	0.902	0.974	1.0	0.826	0.999	0.983
Compound_566	O=c1ccc(=O)[nH][nH]1	0.769	0.254	0.603	0.506	0.365	0.13	0.954	0.015	0.878	0.144	0.656
Compound_567	C1COC1=O	0.771	0.151	0.161	0.507	0.182	0.116	0.988	0.894	0.569	0.245	0.676
Compound_568	ClCCC(=O)NCc1ccccc1	0.122	0.194	0.205	0.394	0.026	0.265	0.046	0.899	0.65	0.403	0.384
Compound_569	CCOc1ccc(cc1C(=O)O)S(=O)(=O)N1CCN(CC1)C	0.061	0.498	0.005	0.303	0.057	0.294	0.013	0.132	0.285	0.219	0.129
Compound_570	Clc1cc2ccccc2c(c1)Cl	0.989	0.571	0.971	0.622	0.813	0.315	0.988	0.938	0.999	0.999	0.918
Compound_571	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1Cl	0.749	0.292	0.087	0.369	0.587	0.499	0.623	0.103	0.149	0.14	0.478
Compound_572	CC(=O)NBr	0.339	0.132	0.594	0.423	0.014	0.01	0.324	0.147	0.913	0.995	0.59
Compound_573	CC(c1cc(Cc2c(C)c(Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)c(c(c2C)Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C)cc(c1O)C(C)(C)C)(C)C	0.66	0.571	0.386	0.519	0.973	0.99	0.079	0.931	0.943	0.997	0.92
Compound_574	CCCSP(=O)(Oc1cnn(c1)c1ccc(cc1)Cl)OCC	0.613	0.754	0.935	0.598	0.5	0.44	0.602	0.439	0.327	0.282	0.728
Compound_575	CCCCCCCCP(=O)(CCCCCC)CCCCCCCCO	0.815	0.253	0.103	0.577	0.844	0.708	0.989	0.527	0.204	0.828	0.623
Compound_576	CNC(=O)ON=C(C(C)(C)C)CS(=O)C	0.158	0.143	0.041	0.338	0.165	0.062	0.01	0.548	0.489	0.16	0.615
Compound_577	C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O	0.497	0.438	-0.0	0.191	0.444	0.257	0.002	0.014	0.3	0.01	0.378
Compound_578	CCCCOCCOCO	0.727	0.155	0.044	0.583	0.073	0.177	0.852	0.441	0.598	0.893	0.55
Compound_579	CC(=CCc1c(=O)oc2c(c1O)cccc2)CCC=C(CCC=C(C)C)C	0.596	0.657	0.701	0.574	0.413	0.461	0.959	0.907	0.667	0.971	0.658
Compound_580	CCCCC(COC(=O)C1CCC(CC1)C(=O)OCC(CCCC)CC)CC	0.745	0.063	0.125	0.66	0.104	0.081	0.983	0.391	0.351	0.992	0.693
Compound_581	COc1cc(N=Nc2cc(ccc2OC)S(=O)(=O)[O-])c(cc1OC)[NH3+]	0.602	0.465	0.807	0.388	0.506	0.628	0.644	0.512	0.523	0.75	0.175
Compound_582	C=CCOCC1(OC(C(C1O)O)CO)OC1OC(CO)C(C(C1O)O)O	0.606	0.406	0.041	0.431	0.524	0.677	0.213	0.537	0.247	0.873	0.202
Compound_583	CCCCCC(=O)Nc1c(I)c(NC(=O)CCCCC)c(c(c1I)C(=O)O)I	0.045	0.534	0.087	0.256	0.254	0.242	0.008	0.09	0.153	0.017	0.083
Compound_584	NC(=N)NCCCC(C(=O)O)N	0.006	0.089	0.02	0.084	0.018	0.098	0.0	0.018	0.042	0.0	0.023
Compound_585	O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C(C(=O)CC[C@H]12)O)CCC1CCCC1	0.938	0.99	0.025	0.75	0.791	0.74	0.139	0.713	0.11	0.47	0.032
Compound_586	COCc1ccc(cc1)c1ccc(cc1)COC	0.809	0.532	0.793	0.748	0.299	0.692	0.988	0.79	0.655	0.848	0.71
Compound_587	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1	0.593	0.338	0.017	0.133	0.137	0.158	0.001	0.57	0.065	0.022	0.345
Compound_588	Cc1onc(c1)NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.149	0.344	0.261	0.202	0.679	0.614	0.05	0.051	0.107	0.079	0.234
Compound_589	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.721	0.642	0.635	0.635	0.482	0.898	0.987	0.994	0.219	0.969	0.918
Compound_590	ClC1C(Cl)C(Br)C(C(C1Cl)Br)Br	0.974	0.133	0.664	0.603	0.52	0.647	0.999	0.984	0.771	0.999	0.29
Compound_591	BrCBr	0.903	0.082	0.518	0.607	0.525	0.185	0.888	0.983	0.833	0.999	0.908
Compound_592	CC(c1ccccc1)OC(=O)C	0.336	0.118	0.721	0.556	0.09	0.054	0.976	0.919	0.73	0.714	0.164
Compound_593	CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C	0.761	0.47	0.739	0.569	0.267	0.281	0.715	0.265	0.658	0.911	0.945
Compound_594	COCCOCCOCCOCCO	0.628	0.114	0.107	0.466	0.122	0.214	0.252	0.363	0.283	0.497	0.575
Compound_595	N#Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)C#N	0.94	0.165	0.587	0.623	0.879	0.615	0.998	0.957	0.869	0.994	0.918
Compound_596	CCCCC=CC=C	0.9	0.064	0.477	0.655	0.23	0.023	0.998	0.988	0.952	0.999	0.833
Compound_597	COc1c2c(=O)cc(oc2c(c2c1cco2)OC)C	0.053	0.719	0.931	0.333	0.029	0.439	0.034	0.051	0.526	0.043	0.995
Compound_598	O=C(Oc1ccccc1)Oc1ccccc1	0.866	0.72	0.833	0.688	0.566	0.446	0.992	0.762	0.907	0.646	0.163
Compound_599	BrC(=Cc1ccccc1)Br	0.95	0.468	0.652	0.655	0.098	0.135	0.999	0.98	0.954	0.998	0.653
Compound_600	CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl	0.676	0.531	0.987	0.629	0.865	0.898	0.69	0.957	0.95	0.246	0.918
Compound_601	CO[C@H]1C[C@@H](O[C@H]([C@@H]1OC1C[C@H](OC)[C@H]([C@@H](O1)C)O)C)O[C@H]1[C@@H](C)C=CC=C2CO[C@H]3[C@]2(O)[C@@H](C=C([C@H]3O)C)C(=O)OC2C[C@@H](CC=C1C)O[C@]1(C2)CC[C@@H]([C@H](O1)C(C)C)C	0.868	1.0	0.08	0.568	0.954	0.898	0.799	0.996	0.891	0.562	0.141
Compound_602	C=COCCCCOC(=O)c1cccc(c1)C(=O)OCCCCOC=C	0.642	0.255	0.57	0.557	0.099	0.331	0.986	0.196	0.807	0.997	0.806
Compound_603	OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N	0.8	0.126	0.037	0.45	0.258	0.058	0.042	0.447	0.12	0.008	0.927
Compound_604	Clc1ccc(nc1)N1C(OC(=O)N2CCNCC2)c2c(C1=O)nccn2	0.479	0.556	0.043	0.416	0.288	0.576	0.008	0.596	0.286	0.198	0.1
Compound_605	FC(C(C(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(C(F)(F)F)F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F	0.91	0.151	0.473	0.635	0.589	0.149	0.992	0.735	0.252	0.981	0.962
Compound_606	ClCC(=O)Nc1ccccc1Cc1ccccc1	0.718	0.462	0.929	0.641	0.965	0.414	0.999	0.996	0.667	0.711	0.922
Compound_607	CCCC(c1ccc(cc1)O)c1ccc(cc1)O	0.909	0.714	0.453	0.605	0.949	0.966	0.963	0.934	0.596	0.839	0.673
Compound_608	CN(CCN1CCN(C1=O)c1cccc(c1)Cl)C	0.574	0.659	0.526	0.218	0.674	0.406	0.195	0.487	0.489	0.109	0.098
Compound_609	CCOC(=O)Cl	0.809	0.052	0.761	0.657	0.065	0.06	0.981	0.987	0.469	0.982	0.95
Compound_610	CCOC(=O)Cc1ccccc1	0.316	0.135	0.615	0.63	0.042	0.033	0.998	0.429	0.283	0.882	0.659
Compound_611	OC(=O)C(CCP(=O)(O)C)N	0.008	0.079	0.003	0.122	0.565	0.244	0.001	0.002	0.038	0.0	0.125
Compound_612	CCCC(c1ccc(cc1)O)(c1ccc(cc1)O)CC	0.95	0.72	0.597	0.587	0.967	0.99	0.969	0.945	0.698	0.95	0.966
Compound_613	OCC(COCC(CO)(CO)CO)(CO)CO	0.796	0.06	0.096	0.451	0.121	0.337	0.123	0.228	0.413	0.379	0.724
Compound_614	Oc1ccc2c(c1)C1(CC(C(C1C(=O)O)C(=O)O)(C)C)CC2(C)C	0.896	0.42	0.194	0.322	0.909	0.546	0.047	0.296	0.575	0.799	0.425
Compound_615	CCCc1nc(c2n1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCC1)C	0.682	0.8	0.188	0.466	0.099	0.633	0.146	0.905	0.276	0.902	0.104
Compound_616	CCOC(=O)C(=Cc1ccccc1)C(=O)OCC	0.955	0.461	0.827	0.651	0.307	0.542	0.991	0.941	0.579	0.987	0.875
Compound_617	CC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N	0.381	0.438	0.004	0.169	0.298	0.578	0.003	0.051	0.497	0.005	0.063
Compound_618	COc1nc(OC)nc(n1)C(=O)c1cccc(c1N(S(=O)(=O)C(F)F)C)F	0.613	0.549	0.333	0.555	0.408	0.575	0.74	0.973	0.402	0.783	0.626
Compound_619	ClNS(=O)(=O)c1ccc(cc1)C	0.179	0.402	0.168	0.236	0.176	0.083	0.637	0.175	0.35	0.901	0.509
Compound_620	CCCS(=O)(=O)O	0.537	0.072	0.06	0.2	0.115	0.14	0.962	0.127	0.353	0.51	0.21
Compound_621	CCc1cccc(c1N(C(=O)C(=O)O)C(C(=O)O)C)C	0.411	0.343	0.27	0.302	0.064	0.021	0.26	0.054	0.104	0.115	0.1
Compound_622	CCCCC(CN)CC	0.158	0.057	0.054	0.401	0.017	0.036	0.003	0.02	0.758	0.989	0.153
Compound_623	CCCCCCCCN(=O)(C)C	0.927	0.509	0.049	0.61	0.051	0.529	0.02	0.9	0.914	0.15	0.5
Compound_624	O=C(N[C@H](C(=O)O)Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2	0.489	0.58	0.834	0.42	0.686	0.827	0.985	0.766	0.399	0.045	0.885
Compound_625	Cc1ccc(cc1)C1(O)CCN(CC1)CCCC(=O)c1ccc(cc1)F	0.026	0.474	0.248	0.134	0.146	0.524	0.008	0.02	0.168	0.006	0.052
Compound_626	Clc1c(Cl)cc(cc1Cl)C(F)(F)F	0.974	0.21	0.964	0.736	0.343	0.133	0.998	0.996	0.78	1.0	0.484
Compound_627	CCOP(=O)(C(C(C)(C)C)N(C(C)(C)C)OC(C(=O)OCCCCOC(=O)C(CC(C(=O)O)(C)C)ON(C(C)(C)C)C(P(=O)(OCC)OCC)C(C)(C)C)CC(C(=O)O)(C)C)OCC	0.276	0.198	0.027	0.265	0.76	0.565	0.017	0.845	0.355	0.206	0.549
Compound_628	CCCCC(C(=O)O)Oc1ccc(cc1C=O)N(=O)=O	0.64	0.321	0.087	0.506	0.336	0.346	0.904	0.805	0.362	0.509	0.696
Compound_629	O=C1CCC2(C(C1)(O)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C	0.654	0.933	0.018	0.734	0.958	0.713	0.544	0.832	0.284	0.3	0.54
Compound_630	CCCCCCCCCCCC(=O)OCC(CCCC)CC	0.871	0.012	0.147	0.692	0.08	0.056	0.999	0.357	0.229	0.997	0.905
Compound_631	NC(=S)c1ccccc1	0.605	0.18	0.252	0.491	0.007	0.398	0.99	0.061	0.98	0.99	0.372
Compound_632	CCCCCCCCCCCCCCCCCCN1C(=O)C2CCC3C4C2C(C1=O)CCC4C1C(S3)CCCC1	0.613	0.549	0.047	0.545	0.613	0.766	0.132	0.09	0.483	0.785	0.381
Compound_633	CCCCCCCCC=CCCCCCCCC(=O)OCC([C@H]1OC[C@H]([C@@H]1OC(=O)CCCCCCCC=CCCCCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC	0.955	0.534	0.081	0.745	0.732	0.232	0.966	0.875	0.283	0.996	0.879
Compound_634	OC1CCCC(C1)C1CC2CC1C(C2(C)C)C	0.928	0.834	0.052	0.474	0.575	0.179	0.1	0.185	0.332	0.978	0.699
Compound_635	COc1cccc(c1)C	0.661	0.091	0.858	0.7	0.062	0.027	0.886	0.036	0.584	0.935	0.217
Compound_636	OCCCO	0.622	0.117	0.123	0.472	0.065	0.086	0.321	0.192	0.092	0.037	0.574
Compound_637	CCOC(=O)C(F)F	0.872	0.043	0.374	0.569	0.15	0.017	0.961	0.992	0.54	0.946	0.917
Compound_638	COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)CCC(=O)O4)C	0.952	0.97	0.186	0.911	0.988	0.888	0.364	0.961	0.472	0.995	0.741
Compound_639	NC(=O)OCC[N+](C)(C)C	0.021	0.142	0.009	0.279	0.024	0.006	0.003	0.005	0.058	0.001	0.151
Compound_640	CCCOC(=O)c1ccc(cn1)C(=O)OCCC	0.206	0.246	0.96	0.62	0.048	0.109	0.034	0.151	0.194	0.128	0.5
Compound_641	COC(OC)OC	0.869	0.055	0.32	0.51	0.139	0.045	0.967	0.796	0.843	0.964	0.304
Compound_642	CCCCOCC(CN1C(=O)N=C(C(C1=O)(CC)c1ccccc1)O)OC(=N)O	0.277	0.473	0.194	0.507	0.142	0.332	0.11	0.403	0.352	0.053	0.312
Compound_643	Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)N)ccc(c1)O	0.372	0.657	0.982	0.658	0.932	0.897	0.998	0.147	0.442	0.08	0.935
Compound_644	O=C1C=C(C(=O)N1Cc1cccc(c1)CN1C(=O)C=C(C1=O)C)C	0.118	0.595	0.946	0.667	0.033	0.645	0.88	0.977	0.585	0.981	0.7
Compound_645	OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C(=C[C@]12C)Cl)F)F	0.952	1.0	0.191	0.959	0.926	0.91	0.327	0.011	0.116	0.015	0.076
Compound_646	CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)CCC12)C)C(=O)C	0.97	1.0	0.092	0.882	0.646	0.88	0.204	0.998	0.056	0.955	0.087
Compound_647	CCCOCCOC(=O)C	0.797	0.04	0.26	0.674	0.097	0.042	0.997	0.332	0.868	0.997	0.762
Compound_648	Clc1ccc(c(c1)Cl)C(Cn1cncc1)O	0.056	0.58	0.864	0.786	0.742	0.873	0.005	0.481	0.415	0.178	0.5
Compound_649	BrC1(COCOC1)N(=O)=O	0.505	0.395	0.388	0.611	0.156	0.105	0.786	0.993	0.734	0.714	0.65
Compound_650	Clc1ccc(cc1)C1=NCC(=O)N(c2c1cc(Cl)cc2)C	0.863	0.772	0.799	0.761	0.682	0.889	0.833	0.098	0.795	0.128	0.797
Compound_651	NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)C(O)C)NC(=O)C(Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2	0.734	0.533	0.034	0.376	0.88	0.709	0.926	0.092	0.329	0.337	0.617
Compound_652	CNCCS(=O)(=O)O	0.02	0.137	0.007	0.171	0.055	0.087	0.001	0.01	0.339	0.027	0.329
Compound_653	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)c1c[nH]c2c1cccc2	0.242	0.636	0.18	0.2	0.354	0.614	0.076	0.338	0.108	0.106	0.224
Compound_654	O=C1Nc2c(C1)cc(cc2)Cl	0.46	0.421	0.971	0.623	0.266	0.455	0.998	0.942	0.759	0.674	0.422
Compound_655	CCCCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O	0.958	0.839	0.02	0.39	0.996	0.995	0.02	0.11	0.198	0.988	0.918
Compound_656	O=C(N1CC(CC1C(=O)O)Sc1ccccc1)C(CSC(=O)c1ccccc1)C	0.245	0.539	0.147	0.382	0.5	0.539	0.849	0.23	0.338	0.786	0.099
Compound_657	CC(CC(c1ccc(cc1)O)C)CC(CC(C)C)C	0.934	0.15	0.835	0.501	0.746	0.817	0.956	0.788	0.34	0.765	0.195
Compound_658	CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC	0.052	0.355	0.089	0.142	0.022	0.014	0.017	0.008	0.244	0.411	0.068
Compound_659	O=N(=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)Nc1ccccc1	0.55	0.265	0.416	0.372	0.628	0.573	0.08	0.949	0.25	0.504	0.558
Compound_660	COP(=S)(SC(C(=O)O)CC(=O)O)OC	0.355	0.08	0.148	0.272	0.185	0.056	0.874	0.58	0.465	0.109	0.409
Compound_661	N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.281	0.408	0.418	0.583	0.704	0.645	0.766	0.988	0.421	0.262	0.695
Compound_662	OC(=O)[C@@H](O)C	0.364	0.125	0.026	0.156	0.041	0.027	0.92	0.172	0.082	0.179	0.252
Compound_663	CN1CN(C)CSC1=S	0.224	0.296	0.012	0.356	0.103	0.457	0.044	0.909	0.933	0.955	0.202
Compound_664	O=C1N(CCN2CCCCC2)C(=O)C(C(=O)N1CCN1CCCCC1)(N1CCCCC1)c1ccccc1	0.189	0.348	0.115	0.112	0.4	0.647	0.015	0.072	0.332	0.012	0.133
Compound_665	C=CC(=O)OCCCOC(COCCCOC(=O)C=C)COCCCOC(=O)C=C	0.97	0.149	0.165	0.778	0.916	0.953	0.999	0.998	0.949	0.999	0.929
Compound_666	CCC=CC#N	0.942	0.236	0.094	0.562	0.306	0.011	0.99	0.865	0.948	0.987	0.873
Compound_667	O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]cnc1	0.325	0.304	0.008	0.215	0.292	0.656	0.002	0.091	0.2	0.446	0.576
Compound_668	C1N2CN3CN1CN(C2)C3	0.471	0.357	0.117	0.262	0.249	0.098	0.002	0.958	0.831	0.991	0.188
Compound_669	CCCCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CO	0.972	1.0	0.367	0.99	0.648	0.934	0.078	0.071	0.301	0.224	0.072
Compound_670	CNCCc1ccccn1	0.02	0.256	0.072	0.233	0.032	0.215	0.001	0.089	0.651	0.002	0.016
Compound_671	CCCCC(c1ccc(cc1)O)(c1ccc(cc1)O)CCC	0.982	0.687	0.597	0.574	0.967	0.99	0.969	0.983	0.806	0.989	0.986
Compound_672	O=C(Nc1cnn(c1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C)NCCNC(=O)OC(C)(C)C	0.483	0.677	0.031	0.354	0.387	0.753	0.999	0.021	0.378	0.031	0.435
Compound_673	CCCc1nc2c([nH]1)cc(cc2C)C(=O)O	0.187	0.547	0.925	0.372	0.306	0.729	0.49	0.217	0.443	0.01	0.195
Compound_674	CCOC(=O)[C@]1(CCC=C[C@@H]1NC)c1ccccc1	0.169	0.578	0.323	0.445	0.038	0.135	0.034	0.701	0.154	0.016	0.535
Compound_675	Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)N(C2=O)c1cccc2c1nc(cc2)C1(O)C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl	0.659	0.654	0.956	0.546	0.771	0.669	0.846	0.949	0.419	0.519	0.919
Compound_676	OCC(N(=O)=O)(Br)C	0.429	0.066	0.145	0.599	0.185	0.065	0.97	0.938	0.538	0.009	0.647
Compound_677	CN(CCc1ccc(cc1)O)C	0.116	0.245	0.056	0.311	0.07	0.693	0.003	0.026	0.376	0.008	0.007
Compound_678	OC(=O)c1ncccc1C(=O)O	0.05	0.19	0.187	0.339	0.053	0.089	0.036	0.018	0.427	0.03	0.5
Compound_679	OC(=O)c1cc(Nc2ccc(cc2)C)c(cc1Nc1ccc(cc1)C)C(=O)O	0.629	0.737	0.213	0.174	0.898	0.664	0.953	0.059	0.569	0.075	0.627
Compound_680	CCN(c1ccccc1)c1nc(nc(n1)Cl)Nc1ccc(c(c1)N=Nc1c(C)nn(c1O)c1ccccc1Cl)S(=O)(=O)O	0.732	0.488	0.745	0.439	0.732	0.65	0.926	0.457	0.44	0.635	0.471
Compound_681	Cc1cc(C)c(c(c1)O)C	0.7	0.084	0.946	0.633	0.15	0.106	0.651	0.993	0.947	0.982	0.43
Compound_682	OCC(COC(=O)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F)O	0.072	0.647	0.921	0.618	0.776	0.371	0.966	0.092	0.334	0.013	0.832
Compound_683	Cc1cncc(c1)C	0.361	0.225	0.869	0.551	0.002	0.058	0.001	0.088	0.642	0.422	0.105
Compound_684	Brc1cc(CCc2c(Br)c(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br	0.747	0.396	0.95	0.659	0.601	0.333	0.993	0.998	0.485	0.999	0.777
Compound_685	O=Cc1ccccc1N(=O)=O	0.963	0.145	0.411	0.594	0.143	0.254	0.996	0.928	0.619	0.97	0.918
Compound_686	Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl	0.054	0.697	0.856	0.867	0.932	0.935	0.009	0.562	0.372	0.995	0.795
Compound_687	CCS(=O)(=O)O	0.552	0.082	0.012	0.196	0.077	0.112	0.786	0.115	0.357	0.625	0.181
Compound_688	CC(=O)N(C)C	0.26	0.075	0.349	0.49	0.007	0.009	0.018	0.101	0.663	0.666	0.389
Compound_689	Cc1cnc(s1)N	0.343	0.419	0.643	0.519	0.052	0.322	0.012	0.098	0.885	0.517	0.235
Compound_690	O=N(=O)OCCN(CCON(=O)=O)CCON(=O)=O	0.171	0.191	0.039	0.117	0.04	0.075	0.008	0.894	0.412	0.92	0.362
Compound_691	OCCOCCN(CC(=O)O)CC(=O)O	0.025	0.031	0.017	0.056	0.165	0.028	0.006	0.335	0.492	0.181	0.298
Compound_692	CC(c1ccc(cc1)O)(c1cccc(c1)C(c1ccc(cc1)O)(C)C)C	0.943	0.591	0.751	0.648	0.995	1.0	0.823	0.938	0.69	0.941	0.891
Compound_693	Oc1ccc(cc1O)C(CC(C)(C)C)(C)C	0.962	0.112	0.474	0.594	0.866	0.241	0.746	0.861	0.282	0.962	0.272
Compound_694	CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O	0.053	0.591	0.011	0.128	0.148	0.311	0.003	0.003	0.244	0.027	0.057
Compound_695	CCP(c1ccccc1)(c1ccccc1)c1ccccc1	0.465	0.497	0.578	0.552	0.975	0.799	0.999	0.71	0.901	0.997	0.719
Compound_696	Nc1cc(N(=O)=O)c(c(c1)N(=O)=O)C(=O)O	0.521	0.198	0.66	0.304	0.057	0.102	0.58	0.917	0.533	0.208	0.755
Compound_697	OP(=O)(OCC(COP(=O)(O)O)(CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.772	0.144	0.096	0.533	0.883	0.45	0.97	0.09	0.176	0.821	0.471
Compound_698	O=N(=O)c1cncn1CCN1CCOCC1	0.085	0.416	0.07	0.244	0.133	0.104	0.001	0.601	0.24	0.089	0.557
Compound_699	CCCCCCCCCCCCCCCC[n+]1ccccc1	0.952	0.599	0.433	0.69	0.07	0.898	0.937	0.997	1.0	0.617	0.195
Compound_700	CNC(=O)Oc1cc(C)cc(c1)C	0.22	0.376	0.817	0.437	0.059	0.046	0.014	0.952	0.672	0.06	0.056
Compound_701	NCCCCCCC(CN)C	0.297	0.016	0.054	0.388	0.023	0.029	0.002	0.014	0.428	0.073	0.069
Compound_702	COC(=O)[C@H](Oc1ccc(cc1)O)C	0.424	0.093	0.737	0.7	0.374	0.092	0.311	0.298	0.581	0.04	0.048
Compound_703	C=CC(C(=O)O)(OC(=O)Nc1cc(Cl)cc(c1)Cl)C	0.785	0.531	0.693	0.687	0.522	0.41	0.74	0.633	0.389	0.509	0.574
Compound_704	Clc1ccc(cc1)C(Cl)Cl	0.928	0.153	0.793	0.677	0.375	0.71	0.992	0.969	0.545	0.998	0.087
Compound_705	Clc1ccc(c(c1)N)Cl	0.888	0.218	0.943	0.573	0.228	0.329	0.995	0.868	0.959	0.992	0.399
Compound_706	O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1	0.035	0.249	0.027	0.054	0.13	0.405	0.117	0.022	0.196	0.121	0.087
Compound_707	O=C1NC(=O)C(N1)(c1ccc(cc1)C)c1ccccc1	0.225	0.556	0.457	0.317	0.102	0.481	0.958	0.013	0.404	0.014	0.663
Compound_708	CC(=O)NCc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I	0.059	0.443	0.018	0.271	0.083	0.184	0.001	0.02	0.319	0.009	0.083
Compound_709	OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C	0.015	0.425	0.002	0.12	0.254	0.148	0.014	0.014	0.158	0.081	0.029
Compound_710	CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)[C@H](O)C)C)NC(=O)[C@H](CS)N	0.025	0.143	0.003	0.172	0.538	0.289	0.002	0.096	0.392	0.026	0.071
Compound_711	OC(=O)CSCC(C(=O)O)N	0.052	0.053	0.008	0.2	0.205	0.011	0.001	0.011	0.254	0.002	0.141
Compound_712	CCN1C(=CC(=O)OCC)SC(C1=O)N1CCCCC1	0.24	0.616	0.224	0.386	0.536	0.317	0.101	0.623	0.235	0.209	0.269
Compound_713	Brc1cc2Oc3cc(Br)c(cc3Oc2cc1Cl)Cl	0.916	0.512	0.966	0.698	0.691	0.652	0.9	0.972	0.863	0.992	0.991
Compound_714	Oc1ccc(c(c1)C)Cl	0.815	0.118	0.786	0.652	0.42	0.057	0.408	0.097	0.755	0.989	0.734
Compound_715	CC(c1c(N=C=O)c(cc(c1N=C=O)C(C)C)C(C)C)C	0.595	0.455	0.832	0.694	0.34	0.348	0.881	0.268	0.853	0.684	0.369
Compound_716	CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CS)NC(=O)[C@H](CCC(=O)O)N	0.043	0.104	0.006	0.195	0.419	0.107	0.0	0.054	0.363	0.014	0.056
Compound_717	OCCC(c1ccccc1)NC(=O)C1CCC(CC1)(F)F	0.147	0.352	0.177	0.405	0.073	0.721	0.099	0.094	0.264	0.003	0.14
Compound_718	Nc1cccc(c1)N(=O)=O	0.942	0.201	0.971	0.562	0.058	0.183	0.931	0.993	0.769	0.974	0.696
Compound_719	CCC(C(CO)C)O	0.69	0.143	0.022	0.488	0.02	0.01	0.445	0.02	0.111	0.288	0.265
Compound_720	CCCCCCCCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.071	0.044	1.0	0.93	0.288	0.994	0.862
Compound_721	COc1ccc(cc1)C(=O)C	0.866	0.155	0.823	0.688	0.197	0.924	0.932	0.034	0.631	0.485	0.284
Compound_722	NCCCCCCCCCCCC(=O)O	0.058	0.056	0.048	0.065	0.031	0.018	0.001	0.0	0.043	0.001	0.041
Compound_723	OCCCCCCC#N	0.923	0.175	0.06	0.529	0.169	0.113	0.933	0.754	0.242	0.347	0.729
Compound_724	ClCCOC(=O)OC(C)C	0.807	0.067	0.529	0.636	0.059	0.022	0.998	0.994	0.861	0.875	0.433
Compound_725	CC(=C)C(=O)OCC1CCCO1	0.978	0.277	0.038	0.698	0.573	0.059	0.993	0.926	0.888	0.999	0.886
Compound_726	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(CO)CO	0.976	0.153	0.132	0.734	0.521	0.316	0.922	0.846	0.162	0.978	0.839
Compound_727	OC(=O)c1nccnc1N	0.052	0.419	0.317	0.383	0.179	0.09	0.002	0.044	0.645	0.039	0.173
Compound_728	Clc1ccc(cc1)OS(=O)(=O)c1ccccc1	0.941	0.636	0.843	0.71	0.565	0.618	0.3	0.683	0.416	0.914	0.287
Compound_729	NNC(=S)Nc1ccccc1	0.802	0.362	0.944	0.384	0.151	0.507	0.941	0.768	0.951	0.861	0.291
Compound_730	CSC(=NO)C(=O)N(C)C	0.193	0.134	0.652	0.553	0.066	0.041	0.029	0.511	0.396	0.967	0.595
Compound_731	COc1ccc(cc1)Br	0.965	0.123	0.843	0.69	0.567	0.566	0.993	0.038	0.651	0.977	0.665
Compound_732	NCCCC(C(=O)O)(C(F)F)N	0.02	0.081	0.015	0.351	0.039	0.007	0.023	0.034	0.133	-0.0	0.133
Compound_733	C=CC(=O)OC1C=CC2C1C1CCC2C1	0.992	0.443	0.087	0.486	0.925	0.277	0.876	0.993	0.692	0.986	0.352
Compound_734	FC(C(C1(F)C(F)(F)C(F)(S(=O)(=O)O)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F	0.746	0.481	0.105	0.66	0.333	0.349	0.995	0.736	0.347	0.927	0.123
Compound_735	COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C(=O)C3(CC(C(C2C)OC2OC(C)CC(C2O)N(C)C)C)CO3)C)OC(C1O)C	0.053	0.74	0.001	0.073	0.511	0.648	0.006	0.051	0.152	0.019	0.708
Compound_736	CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC	0.935	0.108	0.591	0.596	0.099	0.049	0.988	0.27	0.719	0.995	0.825
Compound_737	OP(=O)(OCC(COP(=O)(O)O)(CSCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O	0.737	0.144	0.096	0.533	0.857	0.445	0.93	0.09	0.174	0.821	0.471
Compound_738	Cc1ccccc1Cc1ccccc1	0.803	0.402	0.763	0.533	0.173	0.066	0.938	0.936	0.767	0.995	0.79
Compound_739	C=CCOC(=O)OCC=C	0.781	0.118	0.601	0.645	0.467	0.205	0.999	0.998	0.365	1.0	0.468
Compound_740	c1ccc(nc1)c1ccccn1	0.743	0.719	0.853	0.537	0.142	0.731	0.163	0.32	0.978	0.49	0.965
Compound_741	Nc1ccc(c(c1F)F)F	0.918	0.293	0.997	0.606	0.184	0.136	0.987	0.974	0.712	0.99	0.293
Compound_742	NC(=O)NCO	0.21	0.101	0.006	0.203	0.184	0.039	0.001	0.006	0.47	0.0	0.224
Compound_743	CC(OOC(C)(C)C)(C)C	0.856	0.064	0.174	0.506	0.096	0.047	0.926	0.658	0.819	0.98	0.869
Compound_744	Cc1cc(N)c2c(n1)cccc2	0.648	0.884	0.984	0.59	0.597	0.672	0.088	0.948	0.771	0.921	0.701
Compound_745	Cc1ccc(c(c1O)C)C	0.613	0.084	0.315	0.587	0.164	0.126	0.463	0.915	0.911	0.982	0.43
Compound_746	CC1=C(CC2CC1C2(C)C)P(=S)(SP(=S)(C1=C(C)C2CC(C1)C2(C)C)SC1=C(C)C2CC(C1)C2(C)C)SC1=C(C)C2CC(C1)C2(C)C	0.703	0.458	0.201	0.498	0.759	0.652	0.839	0.746	0.68	1.0	0.722
Compound_747	[O]N1C(C)(C)CC(=O)CC1(C)C	0.671	0.415	0.048	0.577	0.031	0.208	0.029	0.399	0.478	0.13	0.787
Compound_748	CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N(C)C)Cc1ccccc1	0.341	0.652	0.086	0.247	0.5	0.74	0.089	0.958	0.464	0.333	0.513
Compound_749	CC(C#N)NC=O	0.082	0.128	0.036	0.251	0.042	0.059	0.001	0.469	0.528	0.948	0.829
Compound_750	Clc1cc2SC(=C3Sc4c(C3=O)c(C)cc(c4)Cl)C(=O)c2c(c1)C	0.484	0.714	0.899	0.738	0.759	0.676	0.996	0.617	0.59	0.943	0.95
Compound_751	OCC(OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)C	0.093	0.528	0.111	0.41	0.13	0.123	0.003	0.026	0.369	0.006	0.246
Compound_752	CCOC(=O)c1ccc(c(c1)O)O	0.678	0.149	0.987	0.694	0.899	0.132	0.686	0.49	0.144	0.82	0.368
Compound_753	O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)O	0.517	0.373	0.029	0.366	0.319	0.149	0.014	0.052	0.212	0.067	0.178
Compound_754	CC(CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C)C	0.927	0.0	0.706	0.683	0.199	0.147	0.993	0.662	0.042	0.9	0.86
Compound_755	OCCOCCN1CCN(CC1)CC(CN1c2ccccc2Sc2c1cccc2)C	0.032	0.44	0.302	0.202	0.908	0.204	0.006	0.232	0.046	0.011	0.136
Compound_756	O=N(=O)c1cc(Cl)c(c(c1)Cl)N	0.949	0.183	0.962	0.697	0.304	0.273	0.995	0.973	0.75	0.996	0.747
Compound_757	Cc1cc(ccc1Oc1ccc(cc1)S(=O)(=O)C(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C	0.386	0.506	0.028	0.601	0.587	0.693	0.979	0.147	0.405	0.029	0.33
Compound_758	ClCC(=O)N1C(=O)Cc2c1cc(cc2)C(=O)OC	0.516	0.561	0.959	0.62	0.913	0.347	0.963	0.788	0.526	0.59	0.692
Compound_759	C#CC1(O)CCC2C1(C)CCC1C2CCC2=C1CCC(=O)C2	0.955	1.0	0.029	0.391	0.905	0.839	0.014	0.769	0.453	0.99	0.087
Compound_760	CCOC(=O)COc1ccc2c(c1)oc(=O)c(c2C)CCN(CC)CC	0.373	0.798	0.811	0.686	0.046	0.082	0.04	0.651	0.356	0.151	0.701
Compound_761	FC(C(Br)(F)F)(C(F)(F)F)Br	0.93	0.064	0.726	0.635	0.52	0.126	0.992	0.394	0.785	1.0	0.937
Compound_762	OC1CN2CCC1CC2	0.088	0.323	0.098	0.131	0.006	0.039	0.001	0.069	0.133	0.54	0.024
Compound_763	CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1	0.395	0.778	0.946	0.894	0.524	0.658	0.784	0.97	0.486	0.652	0.644
Compound_764	CCCCCCCCCCCC=CC	0.996	0.053	0.331	0.601	0.408	0.032	0.996	0.952	1.013	1.0	0.845
Compound_765	SCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.9	0.081	0.329	0.631	0.36	0.197	0.99	0.116	0.402	0.996	0.909
Compound_766	NCCNCCS(=O)(=O)O	0.016	0.105	0.003	0.186	0.047	0.08	0.0	0.009	0.295	0.015	0.345
Compound_767	OC(=O)c1ccc(c(c1Cl)C)S(=O)(=O)C	0.424	0.437	0.195	0.348	0.699	0.632	0.181	0.058	0.412	0.892	0.162
Compound_768	Clc1ccccc1C(c1ccccc1)(c1ccccc1)Cl	0.824	0.482	0.751	0.671	0.96	0.921	0.998	0.964	0.669	1.0	0.963
Compound_769	OC(=O)c1cc(Cl)c(c(c1Cl)C(=O)N)Cl	0.487	0.322	0.144	0.377	0.458	0.551	0.975	0.859	0.477	0.038	0.152
Compound_770	CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.944	0.615	0.937	0.658	0.71	0.079	0.976	0.601	0.269	0.943	0.64
Compound_771	CCOP(=O)(OC(=CBr)c1ccc(cc1Cl)Cl)OCC	0.928	0.844	0.93	0.843	0.705	0.393	0.972	0.993	0.477	0.999	0.726
Compound_772	CCCCCCCCC=CCCCCCCCC(=O)N	0.567	0.013	0.032	0.338	0.078	0.098	0.996	0.491	0.651	0.946	0.166
Compound_773	C[N+]1(C)CCCCC1	0.362	0.22	0.054	0.611	0.007	0.066	0.008	0.04	0.586	0.002	0.065
Compound_774	OCC[N+](C)(C)C	0.077	0.231	0.013	0.416	0.01	0.009	0.008	0.479	0.0	0.001	0.077
Compound_775	CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C	0.885	0.615	0.66	0.557	0.864	0.992	0.411	0.978	0.95	0.997	0.887
Compound_776	O=C1CCC2(C(=C1)C(=CC1[C@@H]2CCC2([C@H]1CC[C@]2(O)C(=O)C)C)Cl)C	0.962	1.0	0.01	0.887	0.905	0.953	0.447	0.61	0.06	0.338	0.084
Compound_777	Clc1ccc(cc1)c1cc(Cl)cc(c1)Cl	0.989	0.471	0.941	0.805	0.72	0.536	0.987	0.421	0.853	0.988	0.656
Compound_778	NNc1ccc(cc1)S(=O)(=O)O	0.529	0.198	0.955	0.638	0.493	0.59	0.192	0.17	0.434	0.002	0.383
Compound_779	O=C(c1ccccc1)OOC(=O)c1ccccc1	0.812	0.536	0.796	0.592	0.093	0.328	0.989	0.041	0.877	0.762	0.895
Compound_780	OC[C@@H]1N=C(N)N2[C@@]3([C@H]1NC(=N3)N)C(O)(O)C(C2)OS(=O)(=O)O	0.29	0.516	0.228	0.304	0.087	0.369	0.001	0.488	0.085	0.032	0.599
Compound_781	OC1C(C)(C)C(C1(C)C)O	0.78	0.139	0.059	0.464	0.303	0.586	0.707	0.129	0.332	0.906	0.606
Compound_782	COc1cc(C=CC(=O)O)ccc1O	0.794	0.247	0.192	0.477	0.595	0.067	0.66	0.767	0.666	0.898	0.274
Compound_783	ClC=C(Cl)Cl	0.92	0.418	0.433	0.518	0.244	0.317	0.961	0.991	0.375	0.999	0.882
Compound_784	N#CCC(CC(C#N)C)(C)C	0.97	0.092	0.11	0.426	0.329	0.076	0.591	0.659	0.7	0.43	0.794
Compound_785	CCCCCCCC(=O)NCCCCC(C(=O)O)N	0.073	0.078	0.003	0.19	0.015	0.011	0.002	0.002	0.386	0.006	0.028
Compound_786	NCCC[C@@H](CC(=O)NC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)C(=CNC(=O)N)NC1=O)[C@H]1CCN=C(N1)N)N	0.301	0.251	0.001	0.242	0.246	0.622	0.004	0.007	0.394	0.011	0.506
Compound_787	CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C	0.677	0.775	0.562	0.636	0.594	0.718	0.997	0.346	0.398	0.689	0.611
Compound_788	CC(=C)C(=O)OCCNC(C)(C)C	0.051	0.127	0.005	0.403	0.14	0.006	0.001	0.017	0.381	0.14	0.597
Compound_789	O=S1(=O)c2ccccc2Nc2c1cccc2	0.394	0.504	0.649	0.558	0.81	0.154	0.092	0.218	0.648	0.576	0.227
Compound_790	CC(=O)CC(=O)Nc1cc(Cl)c(cc1C)NC(=O)CC(=O)C	0.672	0.442	0.858	0.542	0.316	0.521	0.879	0.621	0.46	0.969	0.293
Compound_791	CC(OC(=O)c1ccccc1)CNC1CCCCC1	0.022	0.406	0.031	0.173	0.035	0.061	0.002	0.015	0.058	0.04	0.008
Compound_792	OC(=O)CC[N](CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C)C	0.036	0.338	0.031	0.173	0.21	0.044	0.062	0.015	0.334	0.012	0.542
Compound_793	CCOC(=O)c1nnn(c1)Cc1c(F)cccc1F	0.515	0.604	0.93	0.577	0.195	0.165	0.4	0.271	0.446	0.074	0.546
Compound_794	CC(Cc1ccc(cc1)O)N	0.117	0.157	0.445	0.457	0.067	0.506	0.002	0.1	0.62	0.031	0.057
Compound_795	CC(Cl)(Cl)Cl	0.931	0.097	0.428	0.635	0.076	0.294	0.96	0.935	0.117	0.999	0.845
Compound_796	OC1C(CC2C1(C)CCC1C2CCC2C1(C)CC1OC1C2)N1CCCC1	0.433	0.767	0.019	0.237	0.764	0.76	0.002	0.122	0.112	0.01	0.617
Compound_797	C[S](=O)=O	0.823	0.123	0.503	0.527	0.349	0.131	0.971	0.939	0.88	1.0	0.429
Compound_798	Clc1cc(Cl)c(c(c1Cl)O)Cl	0.936	0.149	0.861	0.761	0.829	0.898	0.996	0.996	0.95	0.994	0.918
Compound_799	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OP(=O)(O)O)C	0.953	0.868	0.003	0.202	0.981	0.66	0.019	0.038	0.087	0.99	0.778
Compound_800	OCC(OB(OC(CO)CO)OC(CO)CO)CO	0.421	0.157	0.059	0.439	0.647	0.751	0.08	0.698	0.257	0.76	0.693
Compound_801	CN(CCCN1c2ccccc2Sc2c1nccc2)C	0.136	0.588	0.013	0.104	0.691	0.123	0.11	0.113	0.44	0.003	0.202
Compound_802	Clc1ccc(c(c1)Cl)F	0.997	0.104	0.849	0.629	0.286	0.089	0.997	0.925	0.852	0.999	0.304
Compound_803	O=C([C@@H](c1cscc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.14	0.189	0.001	0.085	0.308	0.199	0.013	0.032	0.229	0.096	0.109
Compound_804	OC(=O)Cc1ccc(cc1)O	0.062	0.137	0.085	0.308	0.599	0.587	0.968	0.03	0.355	0.008	0.017
Compound_805	Oc1cc(O)c2c(c1)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	0.779	0.763	0.232	0.697	0.876	0.551	0.172	0.7	0.327	0.076	0.523
Compound_806	OCCOC(=O)C=C	0.952	0.239	0.148	0.706	0.793	0.847	0.993	0.989	0.535	0.82	0.654
Compound_807	CCOC(=O)C(C(=O)OCC)CC(=C)c1ccc(cc1F)F	0.923	0.536	0.402	0.76	0.391	0.195	0.983	0.966	0.414	0.998	0.665
Compound_808	OCC(CC(=C)c1ccc(cc1F)F)CO	0.872	0.464	0.297	0.689	0.176	0.092	0.888	0.539	0.476	0.382	0.584
Compound_809	CN(C=Nc1ccc(cc1C)Cl)C	0.442	0.432	0.785	0.73	0.261	0.405	0.992	0.243	0.649	0.783	0.133
Compound_810	C=CC(CCC=C(C)C)C	0.912	0.06	0.422	0.657	0.2	0.007	0.903	0.988	0.777	0.991	0.932
Compound_811	CCCCC(COCCOCCO)CC	0.83	0.156	0.04	0.543	0.102	0.265	0.932	0.209	0.236	0.816	0.542
Compound_812	Oc1ccccc1C(=O)c1ccccc1	0.933	0.717	0.932	0.81	0.621	0.824	0.969	0.878	0.511	0.83	0.858
Compound_813	Cc1onc(c1)NS(=O)(=O)c1ccc(c(c1)Cl)N	0.069	0.233	0.034	0.141	0.655	0.621	0.037	0.099	0.157	0.039	0.193
Compound_814	Oc1ccc(cc1)Cc1ccccc1	0.882	0.761	0.719	0.638	0.838	0.967	0.99	0.879	0.841	0.883	0.758
Compound_815	COC(=O)C(C(=O)OC)CCn1cnc2c1nc(N)nc2Cl	0.575	0.657	0.427	0.466	0.297	0.445	0.012	0.058	0.511	0.03	0.677
Compound_816	OC(=O)c1ccc(o1)C(=O)O	0.243	0.153	0.45	0.309	0.005	0.035	0.702	0.273	0.667	0.029	0.52
Compound_817	COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C	0.528	0.703	0.993	0.737	0.751	0.724	0.84	0.969	0.71	0.434	0.087
Compound_818	C1C=CC=C1	0.854	0.301	0.41	0.626	0.246	0.017	0.996	0.869	0.937	0.998	0.81
Compound_819	OC1C(O)C(OC1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OCC1OC(C(C1O)OP(=O)(O)[O-])n1cnc2c1ncnc2N)[O-])[O-]	0.087	0.695	0.119	0.556	0.615	0.648	0.016	0.091	0.328	0.2	0.65
Compound_820	Clc1ccccc1C(Cl)(Cl)Cl	0.923	0.194	0.617	0.655	0.483	0.625	0.995	0.965	0.195	1.0	0.429
Compound_821	CCOC(=O)C1=C(O)c2c(S(=O)(=O)N1)cccc2	0.382	0.642	0.149	0.303	0.296	0.645	0.08	0.013	0.153	0.291	0.242
Compound_822	OCC(CO)N	0.037	0.142	0.036	0.332	0.025	0.034	0.001	0.055	0.224	0.001	0.095
Compound_823	CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C	0.053	0.739	0.315	0.685	0.905	0.898	0.126	0.148	0.567	0.028	0.918
Compound_824	CC(CN(C(=O)CCCCC(=O)N(CC(O)C)CC(O)C)CC(O)C)O	0.149	0.027	0.043	0.513	0.021	0.368	0.032	0.137	0.288	0.163	0.173
Compound_825	CCCC1CN(C(C1)C(=O)NC(C1OC(S(=O)C)C(C(C1O)O)O)C(Cl)C)C	0.781	0.243	0.016	0.17	0.364	0.228	0.007	0.545	0.367	0.631	0.277
Compound_826	CCCCCCP(=O)(CCCCCC)CCCCCCCCO	0.815	0.253	0.103	0.577	0.844	0.708	0.989	0.527	0.164	0.828	0.623
Compound_827	CC1CC2=C(C1)CCCCCCCCCC2	0.999	0.368	0.557	0.471	0.343	0.041	0.998	0.934	0.85	0.999	0.736
Compound_828	CN(c1nc(nc(n1)N(C)C)N(C)C)C	0.78	0.318	0.18	0.365	0.149	0.047	0.001	0.145	0.856	0.74	0.087
Compound_829	NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O	0.094	0.784	0.002	0.483	0.157	0.387	0.001	0.003	0.17	0.066	0.054
Compound_830	N#CCCNCC(O)C	0.019	0.158	0.004	0.246	0.047	0.003	0.0	0.095	0.19	0.055	0.183
Compound_831	BrC1C=CC=CC=CCC(C(CC1)Br)Br	0.956	0.221	0.534	0.704	0.51	0.169	0.999	0.953	0.895	1.0	0.536
Compound_832	CCCCBr	0.876	0.055	0.287	0.68	0.147	0.017	0.995	0.985	0.855	0.999	0.918
Compound_833	CCCCOCC(COc1ccccc1)O	0.393	0.247	0.036	0.52	0.257	0.054	0.323	0.176	0.535	0.864	0.311
Compound_834	BrCC#N	0.924	0.202	0.273	0.649	0.17	0.086	0.772	0.999	0.835	0.989	0.938
Compound_835	CCC(C(C)C)C=CC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C	0.983	0.94	0.034	0.802	0.929	0.934	0.008	0.962	0.264	1.0	0.919
Compound_836	CC(=O)C(C)C	0.873	0.095	0.349	0.49	0.017	0.003	0.903	0.101	0.198	0.994	0.87
Compound_837	OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(C(=O)NC)c(c(c2I)N(C(=O)C)C)I)c(c(c1I)C(=O)O)I	0.053	0.603	0.04	0.182	0.089	0.433	0.021	0.162	0.337	0.211	0.311
Compound_838	CNC(=O)N	0.187	0.109	0.026	0.22	0.101	0.007	0.002	0.369	0.77	0.17	0.127
Compound_839	OCCN(CCO)CCO	0.053	0.028	0.167	0.099	0.02	0.023	0.008	0.822	0.783	0.052	0.241
Compound_840	OC[C@@H]1[C@@H](O)CC(C1=C)n1cnc2c1[nH]c(N)nc2=O	0.376	0.458	0.119	0.324	0.275	0.47	0.002	0.116	0.03	0.001	0.667
Compound_841	CCCCC(COC(=O)C)CC	0.883	0.016	0.125	0.65	0.089	0.036	0.99	0.395	0.838	0.997	0.887
Compound_842	CCCCOC(=O)c1ccccc1C(=O)O	0.679	0.109	0.266	0.412	0.105	0.066	0.984	0.057	0.578	0.132	0.552
Compound_843	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)c1cc2ccccc2cc1O	0.812	0.609	0.998	0.754	0.683	0.911	0.93	0.945	0.742	0.246	0.758
Compound_844	CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1cnccn1)Cc1ccccc1)C	0.944	0.542	0.263	0.64	0.905	0.66	0.002	0.915	0.95	0.932	0.659
Compound_845	CC(=O)NC(Cc1ccccc1)(C)C	0.059	0.136	0.257	0.305	0.002	0.139	0.07	0.048	0.365	0.123	0.06
Compound_846	OCC1COC(=O)O1	0.387	0.116	0.081	0.497	0.076	0.114	0.037	0.151	0.405	0.394	0.373
Compound_847	CNC=O	0.312	0.179	0.241	0.319	0.104	0.081	0.008	0.853	0.783	0.839	0.593
Compound_848	ClCC(=O)CCl	0.952	0.091	0.44	0.648	0.524	0.241	0.992	0.999	0.95	0.997	0.995
Compound_849	CC(=O)OC(C(=O)Nc1c(I)c(C(=O)Cl)c(c(c1I)C(=O)Cl)I)C	0.191	0.497	0.463	0.654	0.184	0.471	0.988	0.98	0.352	0.823	0.278
Compound_850	CCCCCCCCCCCCCCCCCCCCCC(=O)N	0.247	0.01	0.028	0.309	0.017	0.1	0.988	0.059	0.572	0.841	0.131
Compound_851	CCCCOc1cccc(c1F)F	0.608	0.259	0.889	0.654	0.378	0.093	0.886	0.961	0.738	0.979	0.788
Compound_852	ICCCCCCCCCCI	0.99	0.149	0.313	0.647	0.6	0.287	0.987	0.966	0.717	1.0	0.833
Compound_853	O=C=Nc1ccc(cc1)Cl	0.851	0.587	0.862	0.694	0.347	0.474	0.999	0.897	0.792	0.97	0.795
Compound_854	CCOc1cc(N)ccc1NC(=O)C	0.294	0.402	0.834	0.487	0.15	0.137	0.343	0.022	0.455	0.019	0.424
Compound_855	OCC(CNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N)I)O	0.038	0.543	0.024	0.28	0.082	0.245	0.002	0.009	0.345	0.006	0.33
Compound_856	CC(=O)ON(=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)(C)C	0.806	0.647	0.024	0.28	0.936	0.993	0.998	0.009	0.949	0.884	0.692
Compound_857	Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N	0.053	0.359	0.007	0.084	0.107	0.126	0.002	0.046	0.314	0.038	0.087
Compound_858	CCC(c1ccc(cc1)Oc1cc(Nc2ccccc2)c2c3c1[nH]c(=O)c(c3c1c(c2=O)cccc1)C(=O)c1ccccc1)(C)C	0.665	0.78	0.182	0.592	0.915	0.667	0.966	0.705	0.428	0.953	0.596
Compound_859	Brc1cc2c(s1)n1c(CN=C2c2ccccc2Cl)nnc1C	0.805	0.763	0.754	0.741	0.449	0.898	0.908	0.17	0.95	0.13	0.361
Compound_860	CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.751	0.19	0.402	0.56	0.11	0.192	0.933	0.307	0.752	0.915	0.608
Compound_861	CC(=O)Nc1ccc(cc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	0.175	0.624	0.023	0.428	0.263	0.273	0.03	0.05	0.12	0.378	0.086
Compound_862	CCC(OC(=O)CCl)C	0.89	0.052	0.131	0.687	0.18	0.018	0.999	0.795	0.871	0.99	0.949
Compound_863	Clc1cc(Cl)c(c(n1)Cl)Cl	0.81	0.225	0.987	0.602	0.463	0.618	0.997	0.986	0.813	0.968	0.198
Compound_864	COc1ccc2c(c1)C(=O)OC(=O)C2(C)C	0.589	0.548	0.808	0.642	0.331	0.522	0.924	0.445	0.373	0.123	0.761
Compound_865	O=C1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl	0.753	0.686	0.903	0.496	0.581	0.735	0.98	0.975	0.511	0.965	0.99
Compound_866	CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(c1OC)Br	0.102	0.534	0.226	0.226	0.672	0.686	0.041	0.007	0.406	0.015	0.07
Compound_867	O=C(NS(=O)(=O)O)OCC1N=C(N)N2C3(C1NC(=N3)N)C(O)(O)CC2	0.291	0.456	0.043	0.324	0.212	0.499	0.003	0.052	0.115	0.007	0.598
Compound_868	O[C@H]1C[C@H](N(C1)C(=O)C)C(=O)O	0.02	0.381	0.011	0.189	0.027	0.037	0.138	0.296	0.15	0.016	0.073
Compound_869	CCCC=C	0.894	0.078	0.308	0.662	0.165	0.002	0.995	0.987	0.381	0.999	0.831
Compound_870	CC(=O)OCCC1=CCC2CC1C2(C)C	0.976	0.549	0.576	0.661	0.82	0.599	0.532	0.987	0.639	0.998	0.818
Compound_871	CC(=O)OCCOCn1cnc2c1[nH]c(NC(=O)C)nc2=O	0.191	0.587	0.067	0.401	0.134	0.225	0.003	0.033	0.689	0.088	0.145
Compound_872	O=C(O[C@H]1CCC2([C@H](C1(C)C)CCC1([C@@H]2C(=O)C=C2[C@@]1(C)CCC1(C2C[C@](C)(CC1)C(=O)O)C)C)C)CCC(=O)O	0.92	0.873	0.286	0.277	0.965	0.896	0.48	0.918	0.397	0.977	0.104
Compound_873	N#Cc1ccc(cc1)Cl	0.976	0.196	0.584	0.655	0.592	0.16	0.996	0.636	0.843	0.988	0.73
Compound_874	CC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O	0.969	0.859	0.019	0.363	0.998	0.993	0.007	0.344	0.212	0.981	0.756
Compound_875	CO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C)C(O)C	0.056	0.664	0.0	0.147	0.375	0.614	0.003	0.144	0.268	0.045	0.142
Compound_876	O=C1N(SC2CCCCC2)C(=O)c2c1cccc2	0.842	0.614	0.368	0.44	0.341	0.841	0.893	0.589	0.706	0.996	0.569
Compound_877	O=C(C(C(=O)C)/N=N/c1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C)Nc1cc(C)c(cc1C)NC(=O)C(C(=O)C)/N=N/c1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C	0.588	0.666	0.993	0.77	0.872	0.784	0.887	0.814	0.467	0.997	0.683
Compound_878	CCNCC(=C)C	0.052	0.162	0.064	0.379	0.015	0.0	0.001	0.056	0.379	0.982	0.797
Compound_879	OC1CCC(CC1)C(C1CCC(=O)CC1)(C)C	0.878	0.528	0.046	0.485	0.316	0.277	0.516	0.31	0.225	0.926	0.31
Compound_880	O=C1C=CC(=c2[nH]c(=C3C=CC(=O)C=C3O)[nH]c(=C3C=CC(=O)C=C3O)[nH]2)C(=C1)O	0.496	0.511	0.111	0.53	0.864	0.804	0.897	0.799	0.728	0.018	0.711
Compound_881	N#CC1CC2C(N1C(=O)C(C13CC4CC(C1)CC(C3)(C4)O)N)C2	0.126	0.501	0.105	0.325	0.72	0.499	0.022	0.319	0.387	0.019	0.587
Compound_882	O=c1c2ccc3c4c2c(c(=O)n1CCc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)CCc1ccccc1	0.143	0.516	0.693	0.569	0.538	0.876	0.678	0.785	0.441	0.193	0.661
Compound_883	NCCCNCCCOCCCCCCCC(C)C	0.09	0.165	0.076	0.36	0.02	0.111	0.242	0.024	0.125	0.056	0.115
Compound_884	O=C(c1ccccc1)OCc1ccccc1	0.658	0.693	0.88	0.613	0.194	0.755	0.998	0.087	0.821	0.663	0.888
Compound_885	N=C1CN(=O)=C(c2c(N1)ccc(c2)Cl)c1ccccc1	0.711	0.67	0.496	0.526	0.58	0.481	0.509	0.825	0.92	0.244	0.739
Compound_886	C=CC(=C)CCC=C(CCC=C(C)C)C	0.865	0.049	0.76	0.529	0.204	0.015	0.943	0.976	0.853	0.997	0.951
Compound_887	O=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F	0.939	0.101	0.732	0.638	0.219	0.026	0.919	0.887	0.3	0.999	0.971
Compound_888	Fc1cc(cc(c1F)Cl)C(F)(F)F	0.962	0.21	0.964	0.736	0.472	0.092	0.999	0.996	0.757	1.0	0.484
Compound_889	C[C@@H]1N(C)CCO[C@H]1c1ccccc1	0.019	0.354	0.093	0.092	0.005	0.05	0.0	0.006	0.12	0.001	0.102
Compound_890	BrCC(C)C	0.861	0.079	0.36	0.624	0.134	0.015	0.986	0.955	0.642	0.996	0.883
Compound_891	C=CCOC(=O)C(O)(C)C	0.741	0.076	0.228	0.646	0.398	0.157	0.929	0.98	0.182	0.295	0.596
Compound_892	COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2	0.287	0.604	0.997	0.509	0.323	0.723	0.417	0.935	0.382	0.134	0.084
Compound_893	OCCNc1ccc(cc1N(=O)=O)N(CCO)CC	0.483	0.213	0.622	0.402	0.586	0.085	0.001	0.626	0.242	0.085	0.653
Compound_894	CCC(c1ccccc1)(C)C	0.834	0.099	0.49	0.557	0.127	0.1	0.901	0.144	0.774	0.997	0.271
Compound_895	CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)C(=O)CN1CCCCC1)C	0.656	0.858	0.029	0.297	0.514	0.632	0.052	0.532	0.482	0.229	0.219
Compound_896	O=C(c1ccc(c(c1O)O)O)c1ccccc1	0.949	0.761	0.866	0.764	0.939	0.898	0.936	0.857	0.828	0.953	0.658
Compound_897	CC1CCOC(C1)c1ccccc1	0.546	0.4	0.458	0.528	0.072	0.225	0.721	0.074	0.423	0.832	0.444
Compound_898	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.794	0.619	0.987	0.872	0.959	0.929	0.998	0.988	0.737	0.674	0.998
Compound_899	CC1OB(OB2OC(C)CC(O2)(C)C)OC(C1)(C)C	0.633	0.575	0.026	0.506	0.476	0.74	0.973	0.861	0.588	0.724	0.686
Compound_900	CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C	0.601	0.81	0.024	0.253	0.276	0.602	0.095	0.491	0.267	0.837	0.12
Compound_901	COS(=O)(=O)OC	0.855	0.067	0.407	0.481	0.147	0.088	0.93	0.924	0.308	0.965	0.238
Compound_902	ClCC(C(=O)NO)(C)C	0.477	0.081	0.689	0.528	0.197	0.1	0.94	0.985	0.34	0.073	0.37
Compound_903	NC(=O)Nc1cccc(c1)N	0.718	0.237	0.584	0.512	0.145	0.241	0.636	0.041	0.761	0.098	0.221
Compound_904	COc1cc(ccc1O)C(=O)C	0.839	0.16	0.646	0.647	0.528	0.265	0.967	0.094	0.527	0.422	0.346
Compound_905	OCCNc1ccc(c(c1)O)C	0.311	0.423	0.903	0.376	0.559	0.034	0.014	0.213	0.305	0.004	0.241
Compound_906	ClC(=C)C(=C)Cl	0.914	0.306	0.433	0.611	0.338	0.053	0.999	0.988	0.919	1.0	0.925
Compound_907	O=C=NC(C)(C)C	0.573	0.066	0.106	0.507	0.012	0.045	0.407	0.628	0.814	0.526	0.624
Compound_908	Cc1nc2ccccc2nc1C	0.394	0.623	0.773	0.491	0.414	0.174	0.883	0.936	0.654	0.671	0.973
Compound_909	OC(=O)C(N(c1c(C)cccc1C)C(=O)C)C	0.277	0.356	0.139	0.306	0.099	0.008	0.127	0.019	0.216	0.044	0.052
Compound_910	Oc1ccc(cc1)C=CC(=O)c1ccc(cc1O)O	0.975	0.777	0.924	0.791	0.913	0.98	0.99	0.938	0.634	0.947	0.799
Compound_911	O=c1c2c([nH]c3c(c2=O)cccc3)c(=O)c2c1[nH]c1ccccc1c2=O	0.255	0.727	0.998	0.529	0.44	0.68	0.986	0.594	0.658	0.222	0.976
Compound_912	CCCCCCCCCCCCCCCCOCCO	0.917	0.231	0.069	0.611	0.212	0.748	0.991	0.889	0.369	0.892	0.62
Compound_913	CCNc1ccccc1	0.631	0.206	0.912	0.469	0.08	0.064	0.023	0.15	0.659	0.944	0.415
Compound_914	O=Cc1cccc(c1)O	0.861	0.159	0.471	0.644	0.237	0.322	0.971	0.791	0.388	0.066	0.273
Compound_915	CC=CC=O	0.905	0.218	0.552	0.568	0.152	0.189	0.999	0.981	0.965	1.0	0.882
Compound_916	Clc1c(Cl)c(C(=O)O)c(c(c1Cl)C(=O)O)Cl	0.585	0.096	0.379	0.382	0.777	0.635	0.791	0.667	0.517	0.666	0.424
Compound_917	Cc1ccc(cc1)C(C)(C)C	0.801	0.095	0.784	0.563	0.125	0.134	0.831	0.222	0.789	0.996	0.237
Compound_918	NC1=C(Cl)C(=O)c2c(C1=O)cccc2	0.268	0.534	0.458	0.598	0.334	0.847	0.608	0.817	0.796	0.928	0.961
Compound_919	Cc1ccc(c(c1)C(=O)O)n1nccn1	0.197	0.439	0.084	0.266	0.355	0.23	0.376	0.011	0.739	0.011	0.443
Compound_920	CC(=O)Nc1ccccc1O	0.534	0.437	0.739	0.479	0.281	0.062	0.111	0.799	0.511	0.181	0.349
Compound_921	CCCCCC(=O)c1ccc(cc1O)O	0.952	0.299	0.546	0.603	0.81	0.931	0.226	0.602	0.242	0.762	0.488
Compound_922	N[C@H]([C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)O)Cc1ccccc1	0.095	0.522	0.004	0.14	0.007	0.131	0.001	0.07	0.317	0.3	0.115
Compound_923	FC(C(F)(F)F)F	0.908	0.065	0.433	0.583	0.245	0.049	0.706	0.883	0.486	1.0	0.9
Compound_924	O=CNCCCN(C)C	0.059	0.102	0.001	0.133	0.005	0.044	0.001	0.118	0.577	0.011	0.085
Compound_925	OC(=O)CNC(=O)c1cc(O)ccc1O	0.164	0.41	0.252	0.307	0.156	0.156	0.052	0.366	0.071	0.024	0.024
Compound_926	ClC(=C)CN=C=S	0.588	0.233	0.513	0.67	0.112	0.071	0.944	0.999	0.828	0.996	0.975
Compound_927	COCCCN1CN(CCCOC)CN(C1)CCCOC	0.079	0.346	0.055	0.116	0.037	0.093	0.007	0.479	0.473	0.032	0.198
Compound_928	CCCCSP(SCCCC)SCCCC	0.83	0.127	0.163	0.569	0.223	0.065	0.991	0.558	0.78	1.0	0.816
Compound_929	NC(=O)CF	0.203	0.025	0.034	0.366	0.017	0.008	0.088	0.704	0.645	0.391	0.603
Compound_930	O=C=Nc1cccc2c1cccc2	0.923	0.867	0.985	0.677	0.305	0.308	0.993	0.993	0.83	0.997	0.977
Compound_931	ON=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C#C)CC	0.936	0.949	0.329	0.679	0.95	0.898	0.065	0.939	0.464	0.401	0.945
Compound_932	Oc1ccc(cc1)c1cc(Cl)ccc1Cl	0.952	0.758	0.895	0.765	0.957	0.848	0.977	0.842	0.951	0.966	0.954
Compound_933	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC	0.715	0.355	0.05	0.426	0.579	0.566	0.634	0.063	0.342	0.324	0.457
Compound_934	CCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C1)(C)C	0.152	0.371	0.105	0.418	0.009	0.079	0.692	0.024	0.141	0.833	0.077
Compound_935	NC(=O)c1ccccc1O	0.54	0.375	0.191	0.387	0.03	0.19	0.55	0.003	0.314	0.012	0.242
Compound_936	Clc1ccc(cc1)C(c1ccccc1)O	0.437	0.574	0.718	0.667	0.68	0.825	0.611	0.477	0.17	0.972	0.971
Compound_937	Oc1cc(c2c(c1N=Nc1c(O)ccc3c1cccc3)cccc2)S(=O)(=O)O	0.815	0.428	0.975	0.549	0.804	0.675	0.715	0.943	0.467	0.555	0.243
Compound_938	CCCCC(COC(=O)c1ccc(cc1)Nc1nc(Nc2ccc(cc2)C(=O)OCC(CCCC)CC)nc(n1)Nc1ccc(cc1)C(=O)NC(C)(C)C)CC	0.595	0.636	0.704	0.434	0.562	0.964	0.95	0.065	0.428	0.99	0.588
Compound_939	COc1ccc(cc1S(=O)(=O)N)CC(=O)C	0.059	0.327	0.149	0.253	0.139	0.418	0.157	0.014	0.311	0.005	0.156
Compound_940	Clc1cccc(c1)Cl	0.974	0.153	0.84	0.607	0.239	0.119	0.997	0.765	0.711	0.998	0.087
Compound_941	OCCOc1ccc(cc1)OCCO	0.544	0.104	0.476	0.578	0.529	0.378	0.523	0.481	0.173	0.381	0.315
Compound_942	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(c1ccc(cc1)Cl)Cl	0.928	0.474	0.765	0.809	0.989	0.613	0.398	0.175	0.434	0.944	0.609
Compound_943	CC(=NO)SC	0.535	0.222	0.502	0.567	0.074	0.078	0.548	0.801	0.511	0.967	0.853
Compound_944	Clc1ncc(cc1Cl)C(Cl)(Cl)Cl	0.505	0.324	0.913	0.761	0.139	0.555	0.042	0.747	0.95	0.983	0.32
Compound_945	CCCC(C(C(CCCOC(COC(=O)c1cc(C(=O)O)c(cc1C(=O)OCC(CCl)O)C(=O)OCC(CCl)O)CCl)(F)F)(F)F)(F)F	0.85	0.246	0.403	0.526	0.753	0.573	0.885	0.548	0.545	0.967	0.745
Compound_946	O=N(=O)c1ccc(c(c1)N)C	0.839	0.158	0.972	0.516	0.113	0.098	0.967	0.953	0.725	0.979	0.756
Compound_947	O=C1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C	0.988	1.0	0.113	0.655	0.856	0.819	0.007	0.521	0.18	0.999	0.401
Compound_948	CC(=C)CCOC(=O)C	0.827	0.024	0.275	0.66	0.099	0.004	0.986	0.939	0.877	0.981	0.931
Compound_949	O=N(=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)N(=O)=O	0.995	0.734	0.991	0.54	0.951	0.904	1.0	0.987	0.767	1.0	0.954
Compound_950	CCCCCCCCCCn1cc[n+](c1C)CCCCCCCCCC	0.805	0.761	0.112	0.659	0.875	0.921	0.96	0.97	0.95	0.95	0.357
Compound_951	Brc1ccc(c(c1)Cl)F	1.001	0.089	0.849	0.629	0.276	0.268	0.999	0.925	0.725	1.0	0.543
Compound_952	FC(C(Cl)(F)F)(Cl)Cl	0.946	0.068	0.433	0.615	0.5	0.214	0.883	0.883	0.631	0.999	0.931
Compound_953	COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F	0.641	0.709	0.991	0.236	0.886	0.898	0.652	0.996	0.058	0.561	0.833
Compound_954	ClCC(C1CCc2c(O1)ccc(c2)F)O	0.334	0.297	0.83	0.67	0.397	0.241	0.147	0.78	0.671	0.896	0.446
Compound_955	CC(=O)Nc1ccc2c(c1)Cc1c2cccc1	0.494	0.858	0.932	0.748	0.277	0.898	0.972	0.962	0.95	0.984	0.851
Compound_956	OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O	0.019	0.121	0.014	0.029	0.251	0.015	0.013	0.873	0.237	0.217	0.42
Compound_957	CC(=C)C(=O)OCC1CO1	0.984	0.203	0.218	0.722	0.637	0.067	0.702	0.924	0.95	0.998	0.884
Compound_958	Cc1cc(cnc1)C(=O)O	0.067	0.204	0.562	0.301	0.006	0.015	0.034	0.09	0.38	0.008	0.048
Compound_959	CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.744	0.263	0.056	0.818	0.196	0.123	0.681	0.098	0.058	0.099	0.439
Compound_960	CCCCCC(c1ccc(cc1)O)c1ccc(cc1)O	0.956	0.62	0.453	0.622	0.949	0.966	0.963	0.986	0.543	0.967	0.876
Compound_961	CCSCSP(=O)(OCC)OCC	0.795	0.039	0.868	0.52	0.38	0.292	0.975	0.226	0.202	0.996	0.691
Compound_962	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.94	1.0	0.952
Compound_963	CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C	0.935	0.762	0.097	0.808	0.972	0.875	0.979	0.987	0.452	0.765	0.935
Compound_964	O=CCCC=O	0.84	0.093	0.253	0.455	0.049	0.319	0.992	0.954	0.79	0.724	0.918
Compound_965	COC(=O)C(CCl)F	0.862	0.054	0.406	0.666	0.18	0.018	1.0	0.999	0.704	0.934	0.928
Compound_966	CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O	0.187	0.543	0.865	0.644	0.864	0.639	0.81	0.052	0.2	0.25	0.918
Compound_967	CCCCC(C(=O)OOC(CC(C)(C)C)(C)C)CC	0.914	0.036	0.03	0.523	0.134	0.075	0.962	0.84	0.33	0.99	0.766
Compound_968	ClCCOC(=O)c1ccc(c(c1)NN=C1C(=O)C(=Cc2c1cccc2)C(=O)Nc1cc(C)c(cc1C)NC(=O)C1=Cc2ccccc2C(=NNc2c(C)cccc2C(=O)OCCCl)C1=O)C	0.724	0.751	0.801	0.591	0.909	0.76	0.989	0.962	0.416	0.982	0.662
Compound_969	CNC(=O)CC#N	0.1	0.068	0.035	0.271	0.026	0.003	0.004	0.395	0.533	0.193	0.552
Compound_970	CCC#CC(C1(CC=C)C(=O)NC(=O)N(C1=O)C)C	0.19	0.374	0.147	0.363	0.176	0.52	0.001	0.74	0.371	0.393	0.335
Compound_971	COC(=O)NC(C(=O)O)C(C)C	0.009	0.113	0.041	0.215	0.041	0.006	0.005	0.503	0.289	0.029	0.28
Compound_972	CC1CCC(C2C1C=CC2O)C	0.968	0.42	0.087	0.549	0.649	0.063	0.424	0.398	0.457	0.683	0.245
Compound_973	OCCN1C(=O)C2C(C1=O)CC=CC2	0.147	0.488	0.144	0.535	0.155	0.382	0.037	0.066	0.356	0.116	0.151
Compound_974	O=C(C(=C)C)NCc1cc(cc(c1O)n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.383	0.685	0.299	0.598	0.257	0.876	0.632	0.922	0.609	0.662	0.391
Compound_975	CCOC(=O)C(CC1CCC1)N	0.06	0.073	0.1	0.462	0.119	0.55	0.007	0.02	0.246	0.527	0.245
Compound_976	Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F	0.739	0.469	0.754	0.521	0.708	0.726	0.992	0.272	0.448	0.226	0.762
Compound_977	O=C1C=CC=CC1=c1[nH]c2c([nH]1)cccc2	0.383	0.664	0.988	0.675	0.086	0.395	0.022	0.973	0.878	0.104	0.761
Compound_978	CC1=CCCC(=CCCC=C(CC1)C)C	0.892	0.152	0.76	0.538	0.155	0.009	0.954	0.926	0.89	0.998	0.516
Compound_979	CCN(CC(=O)Nc1c(C)cccc1C(=O)OC)CC	0.06	0.451	0.025	0.164	0.031	0.054	0.002	0.007	0.467	0.003	0.095
Compound_980	Clc1c(Cl)cc(cc1Cl)C(Cl)(Cl)Cl	0.955	0.194	0.964	0.736	0.368	0.56	0.998	0.996	0.219	1.0	0.429
Compound_981	CC(NCCNC(C)C)C	0.034	0.058	0.022	0.238	0.024	0.006	0.0	0.007	0.122	0.054	0.222
Compound_982	COCC(=O)Nc1ccccc1	0.801	0.434	0.961	0.614	0.046	0.118	0.906	0.771	0.435	0.055	0.148
Compound_983	CC(=C)C(=O)OCCCCCCN1C(=O)C(=C(C1=O)C)C	0.633	0.65	0.095	0.678	0.112	0.428	0.924	0.916	0.584	0.995	0.778
Compound_984	OCCN(CC)CC	0.056	0.048	0.12	0.102	0.01	0.01	0.008	0.86	0.081	0.311	0.13
Compound_985	Cc1ccccc1Cc1ccccc1Cc1ccccc1	0.746	0.401	0.763	0.533	0.8	0.685	0.993	0.936	0.767	0.998	0.795
Compound_986	O=N(=O)c1cc(cc(c1Nc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.973	0.63	0.936	0.552	0.803	0.296	0.888	0.967	0.836	0.998	0.961
Compound_987	CCCCCC=C(C(=O)OC)C(=O)C	0.96	0.068	0.578	0.653	0.428	0.227	0.951	0.992	0.785	0.995	0.962
Compound_988	OC1CCCC1	0.695	0.1	0.061	0.505	0.05	0.065	0.837	0.363	0.205	0.549	0.155
Compound_989	OC(=O)CNCP(=O)(O)O	0.04	0.1	0.003	0.134	0.243	0.014	0.0	0.004	0.071	0.005	0.179
Compound_990	CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)C	0.564	0.468	0.068	0.545	0.267	0.279	0.462	0.432	0.469	0.342	0.193
Compound_991	Clc1ccc(c(c1)C(=O)N)O	0.583	0.442	0.261	0.396	0.113	0.291	0.274	0.019	0.683	0.278	0.658
Compound_992	N#Cc1ccc(cc1C(F)(F)F)NC(=O)C(CSc1ccc(cc1)F)(O)C	0.619	0.43	0.619	0.677	0.922	0.571	0.958	0.841	0.406	0.188	0.707
Compound_993	CC(CCOc1ccc(cc1)NC(=S)Nc1ccc(cc1)OCCC(C)C)C	0.652	0.637	0.873	0.562	0.668	0.966	0.709	0.454	0.147	0.899	0.486
Compound_994	ClCC(c1ccc(c(c1)C)OC)(c1ccc(c(c1)C)OC)CCl	0.909	0.491	0.927	0.692	0.923	0.992	0.154	0.27	0.805	0.983	0.99
Compound_995	COC(=O)c1cc(F)ccc1N(=O)=O	0.929	0.398	0.888	0.689	0.193	0.202	0.983	0.675	0.457	0.98	0.773
Compound_996	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	0.924	0.229	0.892	0.683	0.292	0.378	0.996	0.957	0.219	0.994	0.721
Compound_997	OC(=O)CCCCCCCCCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.153	0.083	0.704	0.036	0.039	0.16	0.087
Compound_998	ClC#N	0.903	0.206	0.407	0.581	0.76	0.076	0.766	0.985	0.942	0.997	0.928
Compound_999	CC1OC(C)OC(O1)C	0.746	0.066	0.6	0.624	0.019	0.038	0.94	0.974	0.696	0.872	0.156
Compound_1000	CCOP(=S)(OCC)Cl	0.822	0.286	0.741	0.657	0.059	0.014	0.992	0.987	0.466	0.998	0.686