Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(=O)CC(=O)OC(C)(C)C	0.711	0.014	0.091	0.52	0.103	0.05	0.871	0.965	0.525	0.121	0.697
Compound_2	CCCNCCC	0.039	0.052	0.034	0.3	0.009	0.004	0.001	0.034	0.387	0.968	0.342
Compound_3	CCCCC(=O)NC1(CCCC1)C#N	0.148	0.309	0.038	0.359	0.056	0.091	0.012	0.381	0.427	0.321	0.71
Compound_4	O=CC1c2cc(O)ccc2Nc2c1cccc2	0.376	0.719	0.857	0.576	0.911	0.786	0.962	0.789	0.379	0.661	0.973
Compound_5	OC(=O)CC=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O)c1csc(n1)N	0.52	0.177	0.099	0.142	0.118	0.102	0.002	0.575	0.074	0.212	0.07
Compound_6	Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1	0.793	0.889	0.807	0.933	0.298	0.847	0.046	0.387	0.421	0.305	0.537
Compound_7	C=Cn1cncc1	0.192	0.309	0.637	0.545	0.461	0.107	0.007	0.664	0.832	0.563	0.584
Compound_8	O=c1[nH]cc(cc1N)c1ccncc1	0.078	0.548	0.078	0.501	0.024	0.311	0.001	0.104	0.667	0.054	0.618
Compound_9	CCC(CCC1OC1(C)CC)CCOc1ccc(cc1)CC	0.886	0.499	0.024	0.67	0.877	0.924	0.885	0.919	0.264	1.0	0.976
Compound_10	CC=CC(=CC)C1C(=O)OC(=O)C1C=CC	0.569	0.311	0.562	0.617	0.279	0.022	0.97	0.997	0.863	0.977	0.937
Compound_11	ClCc1oc(=O)oc1C	0.792	0.269	0.305	0.567	0.059	0.007	0.994	0.935	0.952	0.942	0.398
Compound_12	CC(CC(C#C)(O)C)C	0.755	0.12	0.506	0.491	0.07	0.228	0.817	0.196	0.423	0.576	0.505
Compound_13	COC(=O)CCSC(=O)C(CC)(C)C	0.592	0.029	0.22	0.633	0.375	0.031	0.977	0.897	0.385	0.775	0.872
Compound_14	OCCN1CCCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.047	0.465	0.903	0.206	0.881	0.338	0.646	0.146	0.188	0.033	0.444
Compound_15	CC=C1CC2CC1C=C2	0.864	0.455	0.276	0.562	0.413	0.029	0.979	0.956	0.461	0.996	0.806
Compound_16	CCn1cncc1	0.417	0.255	0.604	0.576	0.477	0.098	0.01	0.336	0.807	0.532	0.467
Compound_17	Clc1ccc(c(c1)Cl)C(=O)C	0.955	0.08	0.685	0.693	0.561	0.471	0.987	0.807	0.864	0.998	0.679
Compound_18	CCOC(=O)C(CC)C	0.735	0.01	0.832	0.623	0.037	0.006	0.991	0.336	0.314	0.993	0.868
Compound_19	OCCCCCCCC=CC=CC	0.966	0.373	0.205	0.553	0.276	0.162	0.951	0.822	0.131	0.883	0.618
Compound_20	COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC	0.471	0.683	0.838	0.782	0.977	0.996	0.066	0.047	0.854	0.96	1.0
Compound_21	NCCc1ccc(cc1)S(=O)(=O)N	0.028	0.326	0.0	0.118	0.101	0.132	0.003	0.0	0.101	0.001	0.058
Compound_22	O=CNc1nc(Cl)c(c(n1)Cl)NC=O	0.109	0.336	0.738	0.602	0.284	0.515	0.003	0.939	0.907	0.675	0.426
Compound_23	Cc1c(C)cccc1N	0.733	0.21	0.947	0.555	0.076	0.037	0.969	0.964	0.876	0.929	0.365
Compound_24	COC(=O)c1cccc(c1N)Cl	0.505	0.326	0.848	0.491	0.323	0.302	0.986	0.065	0.674	0.881	0.377
Compound_25	CCCCCCCCCCCCC1CO1	0.965	0.223	0.112	0.6	0.257	0.099	0.995	0.944	0.943	1.0	0.958
Compound_26	C=CC(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1OC)C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)OC(=O)C=C	0.864	0.678	0.985	0.728	0.993	0.703	0.966	0.665	0.379	0.954	0.944
Compound_27	NCCCO	0.032	0.119	0.019	0.271	0.021	0.029	0.001	0.006	0.067	0.002	0.326
Compound_28	CN(CCCN1c2ccccc2S(=O)c2c1cc(Cl)cc2)C	0.053	0.433	0.449	0.21	0.739	0.666	0.265	0.799	0.628	0.055	0.576
Compound_29	Oc1ccc(cc1)SCCOCCSc1ccc(cc1)O	0.296	0.527	0.8	0.695	0.865	0.908	0.96	0.408	0.431	0.851	0.926
Compound_30	N#Cc1cnc(nc1N)C	0.425	0.327	0.512	0.494	0.083	0.152	0.0	0.156	0.947	0.211	0.149
Compound_31	OC(=O)CC1(CS[C@@H](c2cccc(c2)C=Cc2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1	0.798	0.584	0.984	0.609	0.991	0.783	0.901	0.182	0.931	0.295	0.493
Compound_32	O=C(CC(=O)Nc1ccccc1C)CN=Nc1ccc(cc1N(=O)=O)S(=O)(=O)O	0.557	0.39	0.744	0.484	0.648	0.628	0.189	0.82	0.408	0.06	0.411
Compound_33	CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC	0.058	0.243	0.897	0.233	0.299	0.118	0.003	0.021	0.189	0.003	0.241
Compound_34	CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC	0.895	0.022	0.1	0.566	0.146	0.164	0.995	0.118	0.673	0.992	0.5
Compound_35	CC=C	0.9	0.124	0.625	0.647	0.187	0.005	0.994	0.994	0.9	1.0	0.832
Compound_36	CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)c(ccc2)C(=O)OC	0.664	0.701	0.887	0.696	0.663	0.682	0.997	0.352	0.532	0.406	0.894
Compound_37	CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1	0.412	0.554	0.116	0.279	0.034	0.102	0.595	0.009	0.339	0.828	0.125
Compound_38	CN=Cc1ccccc1	0.832	0.199	0.758	0.55	0.026	0.099	0.348	0.042	0.841	0.786	0.144
Compound_39	[O-]S(=O)(=O)CCC[n+]1ccccc1	0.315	0.394	0.323	0.455	0.028	0.509	0.425	0.732	0.32	0.066	0.378
Compound_40	C=CC(=O)OCCCCCCCC(C)C	1.0	0.006	0.708	0.775	0.774	0.275	0.996	0.998	0.532	1.0	0.877
Compound_41	Cc1ccc2c(n1)c(O)c(cc2Br)Br	0.747	0.647	0.848	0.445	0.697	0.898	0.562	0.866	0.526	0.987	0.976
Compound_42	OC1CC2C(C1(C)CC2)(C)C	0.919	0.745	0.025	0.553	0.48	0.122	0.068	0.254	0.293	0.974	0.483
Compound_43	CCCCCCCCCCCCCCCCCC(=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_44	Clc1ccc2c(c1)[nH]c(=O)o2	0.114	0.258	0.281	0.496	0.274	0.098	0.033	0.08	0.708	0.926	0.087
Compound_45	Cc1ccc(c(c1)C)N	0.493	0.21	0.989	0.555	0.124	0.387	0.996	0.934	0.937	0.929	0.365
Compound_46	Cc1ccc(cc1)S(=O)(=O)c1ccc(c(c1)O)O	0.602	0.484	0.64	0.664	0.641	0.585	0.403	0.923	0.33	0.98	0.34
Compound_47	c1ccc2c(c1)C(c1c(N2)cccc1)C1c2ccccc2Nc2c1cccc2	0.322	0.775	0.893	0.5	0.935	0.854	0.962	0.789	0.47	0.849	0.985
Compound_48	OCC(COc1ccccc1C)O	0.057	0.198	0.079	0.448	0.075	0.026	0.032	0.008	0.058	0.796	0.087
Compound_49	Clc1c(C)c(Br)c(c(c1Br)Br)Br	0.931	0.062	0.583	0.602	0.625	0.65	0.998	0.975	0.581	0.999	0.38
Compound_50	Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F	0.94	0.667	0.923	0.814	0.773	0.862	0.982	0.944	0.748	0.988	0.879
Compound_51	c1ccc2c(c1)C=CC2	0.751	0.382	0.969	0.641	0.159	0.02	0.995	0.933	0.949	0.998	0.792
Compound_52	CCCCCC(C(=O)OOC(CC(O)C)(C)C)(CC)C	0.84	0.032	0.011	0.578	0.161	0.112	0.788	0.884	0.105	0.95	0.687
Compound_53	CCCOc1ccc(cc1)C(=O)CCN1CCCCC1	0.059	0.272	0.256	0.297	0.093	0.861	0.008	0.95	0.294	0.753	0.09
Compound_54	c1ccc(cc1)CN=Cc1ccccc1	0.664	0.579	0.552	0.551	0.075	0.723	0.804	0.219	0.436	0.968	0.712
Compound_55	CNS(=O)(=O)c1ccc2c(c1)ccc(c2)N	0.314	0.257	0.081	0.23	0.317	0.613	0.098	0.861	0.335	0.245	0.209
Compound_56	CCC(C)(C)C	0.879	0.044	0.287	0.508	0.049	0.01	0.948	0.816	0.76	0.999	0.714
Compound_57	C=CCOc1ccc(cc1)C(=O)Oc1ccc(cc1)O	0.878	0.641	0.811	0.761	0.98	0.966	0.994	0.974	0.595	0.488	0.49
Compound_58	C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C	0.478	0.644	0.036	0.14	0.314	0.682	0.58	0.346	0.246	0.451	0.345
Compound_59	CN(S(=O)(=O)N1CC1Cc1ccccc1)C	0.052	0.452	0.249	0.536	0.576	0.735	0.073	0.526	0.178	0.212	0.343
Compound_60	CN(CCC(c1cccs1)Oc1cccc2c1cccc2)C	0.235	0.552	0.012	0.183	0.351	0.768	0.038	0.397	0.647	0.034	0.141
Compound_61	COc1cccc(n1)N(C(=S)Oc1cccc(c1)C(C)(C)C)C	0.784	0.688	0.811	0.579	0.082	0.6	0.135	0.889	0.64	0.876	0.192
Compound_62	CCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_63	OC(=O)CC(C(=O)O)N	0.01	0.05	0.019	0.074	0.039	0.006	0.006	0.003	0.214	0.0	0.057
Compound_64	BrCCC(C(=O)OCc1ccccc1)Br	0.47	0.182	0.208	0.703	0.772	0.453	0.996	0.992	0.4	0.983	0.82
Compound_65	CC(Nc1c(C)n(n(c1=O)c1ccccc1)C)C	0.078	0.361	0.134	0.234	0.127	0.123	0.001	0.015	0.303	0.177	0.225
Compound_66	COc1cc(CC(N)C)cc(c1OC)OC	0.118	0.088	0.6	0.518	0.033	0.119	0.005	0.036	0.773	0.051	0.061
Compound_67	Ic1c(C)n(n(c1=O)c1ccccc1)C	0.096	0.195	0.198	0.404	0.093	0.098	0.031	0.039	0.561	0.019	0.264
Compound_68	COc1cc2nc(Cl)nc(c2cc1OC)N	0.497	0.56	0.935	0.57	0.591	0.7	0.478	0.722	0.907	0.561	0.544
Compound_69	O[C@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.544	0.755	0.012	0.259	0.212	0.178	0.004	0.062	0.024	0.039	0.506
Compound_70	Cc1cccc(c1)N1CCNCC1	0.061	0.333	0.056	0.279	0.018	0.044	0.0	0.143	0.533	0.002	0.048
Compound_71	Clc1ccc(cc1)S(=O)(=O)c1ccc(c(c1O)O)Cl	0.499	0.576	0.203	0.631	0.705	0.645	0.192	0.731	0.396	0.956	0.629
Compound_72	Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C	0.566	0.448	0.974	0.638	0.55	0.644	0.969	0.701	0.355	0.968	0.667
Compound_73	Brc1cc(C)c(c(c1)Br)OCC1OC1	0.347	0.194	0.652	0.722	0.683	0.749	0.565	0.98	0.365	0.997	0.938
Compound_74	CCOC(=O)CC(=O)OCC	0.817	0.047	0.526	0.652	0.081	0.056	0.878	0.833	0.478	0.881	0.918
Compound_75	O=C(c1cccc2c1cccc2)c1cn(c2c1cccc2)CCN1CCOCC1	0.78	0.681	0.716	0.388	0.56	0.362	0.99	0.204	0.441	0.625	0.511
Compound_76	OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2N([C@H](C1)C1C2O1)C	0.044	0.516	0.009	0.038	0.297	0.049	0.001	0.01	0.05	0.01	0.087
Compound_77	Clc1cccc(c1)C1(O)OCC(NC1C)(C)C	0.034	0.568	0.444	0.324	0.054	0.195	0.001	0.017	0.28	0.118	0.113
Compound_78	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)Sc1scc(n1)c1ccncc1)Cc1ccccc1	0.644	0.246	0.471	0.394	0.624	0.59	0.985	0.951	0.183	0.291	0.217
Compound_79	FC(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)O)(F)F)(F)F)F	0.949	0.064	0.388	0.605	0.447	0.059	0.992	0.065	0.253	0.916	0.96
Compound_80	O=CC(c1ccccc1)C(=O)OC	0.236	0.131	0.621	0.507	0.082	0.148	0.919	0.217	0.464	0.048	0.219
Compound_81	O=C(c1ccccc1)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.952	0.973	0.079	0.54	0.99	0.98	0.713	0.67	0.047	0.985	0.549
Compound_82	COc1ccc(cc1N(=O)=O)C(=O)O	0.649	0.205	0.382	0.368	0.779	0.676	0.993	0.96	0.496	0.885	0.819
Compound_83	Nc1ccccc1O	0.676	0.521	0.98	0.599	0.181	0.081	0.974	0.986	0.858	0.731	0.973
Compound_84	CCN(c1nc(=O)cc([nH]1)C)CC	0.122	0.423	0.181	0.436	0.226	0.078	0.001	0.092	0.556	0.178	0.357
Compound_85	CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1	0.109	0.636	0.538	0.288	0.078	0.42	0.368	0.254	0.251	0.067	0.379
Compound_86	Brc1ccc(c(c1)F)OC(F)(F)F	0.964	0.245	0.854	0.789	0.638	0.596	0.988	0.937	0.537	1.0	0.951
Compound_87	C[C@@H](C(=O)c1ccccc1)N	0.21	0.101	0.427	0.431	0.003	0.159	0.005	0.033	0.47	0.389	0.142
Compound_88	CN1C2CCC1CC(C2)OS(=O)(=O)C	0.522	0.478	0.014	0.13	0.008	0.234	0.133	0.462	0.298	0.214	0.455
Compound_89	COCC(N(c1c(C)cccc1CC)C(=O)CO)C	0.573	0.545	0.191	0.556	0.031	0.125	0.143	0.138	0.228	0.003	0.23
Compound_90	Cc1ccccc1C(c1ccccc1C)c1ccccc1	0.823	0.387	0.736	0.551	0.805	0.668	0.993	0.847	0.484	0.995	0.837
Compound_91	OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O	0.788	0.286	0.06	0.383	0.093	0.34	0.063	0.024	0.306	0.855	0.056
Compound_92	COCc1cnc(c(c1)C(=O)O)C(=O)O	0.145	0.251	0.381	0.374	0.063	0.129	0.094	0.015	0.544	0.017	0.447
Compound_93	ClC(=O)C1CCCCC1	0.961	0.117	0.277	0.656	0.065	0.083	0.997	0.998	0.624	1.0	0.818
Compound_94	Brc1ccc(c(c1)Br)Oc1c(Br)cc(cc1Br)Br	0.982	0.704	0.882	0.726	0.674	0.673	0.998	0.826	0.41	0.999	0.995
Compound_95	Cc1ccc(cc1)S(=O)(=O)OCCCS(=O)(=O)C	0.518	0.328	0.407	0.563	0.684	0.213	0.956	0.543	0.398	0.823	0.188
Compound_96	Brc1ccc(cc1)c1ccc(cc1)Br	0.996	0.472	0.901	0.805	0.19	0.609	0.997	0.309	0.776	0.992	0.746
Compound_97	Oc1ccc(cc1)C1CCCCC1	0.901	0.311	0.27	0.593	0.864	0.945	0.957	0.904	0.452	0.969	0.527
Compound_98	Clc1ccc(cc1COCC(C(F)(F)F)(F)F)n1nc(nc1c1ccccc1)C(=O)N	0.589	0.622	0.855	0.646	0.77	0.843	0.166	0.126	0.271	0.2	0.708
Compound_99	CCCCC(=O)c1ccc(cc1)[C@@H]1CC[C@H](CC1)CCC	0.91	0.312	0.179	0.442	0.136	0.645	0.401	0.525	0.442	0.995	0.796
Compound_100	OCC1OC(CC1O)n1cnc(nc1=O)N	0.392	0.205	0.02	0.362	0.033	0.189	0.003	0.114	0.024	0.004	0.918
Compound_101	CCOC(=O)COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.956	0.757	0.993	0.794	0.924	0.74	0.993	0.972	0.404	0.986	0.917
Compound_102	CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.763	0.477	0.312	0.554	0.772	0.996	0.056	0.961	0.925	0.996	0.888
Compound_103	COc1ccccc1c1nc2c([nH]1)cccc2	0.498	0.806	0.984	0.588	0.553	0.74	0.448	0.626	0.494	0.744	0.939
Compound_104	OC(=O)C(c1ccccc1)Cc1cc(I)c(c(c1)I)O	0.081	0.473	0.017	0.441	0.969	0.239	0.998	0.037	0.139	0.781	0.087
Compound_105	CCCCC(COCC1CO1)CC	0.955	0.2	0.09	0.619	0.29	0.141	0.98	0.205	0.863	0.998	0.915
Compound_106	CCN(C(=O)SCC)C1CCCCC1	0.326	0.338	0.239	0.617	0.089	0.454	0.067	0.527	0.219	0.997	0.331
Compound_107	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	0.803	0.89	0.984	0.868	0.929	0.875	0.925	0.988	0.226	0.011	0.645
Compound_108	Oc1cccc(c1)N(C)C	0.927	0.403	0.92	0.623	0.602	0.083	0.666	0.552	0.245	0.582	0.395
Compound_109	COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl	0.099	0.458	0.063	0.094	0.32	0.703	0.905	0.03	0.058	0.113	0.237
Compound_110	CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC	0.946	0.041	0.149	0.628	0.206	0.194	0.998	0.823	0.862	0.996	0.494
Compound_111	OC(=O)C=C	0.745	0.045	0.047	0.195	0.647	0.098	0.993	0.787	0.799	0.617	0.811
Compound_112	Clc1nc(Cl)nc(n1)Cl	0.767	0.217	0.858	0.552	0.4	0.061	0.201	0.886	0.907	0.753	0.05
Compound_113	NNc1ccccc1	0.779	0.404	0.926	0.66	0.168	0.685	0.984	0.845	0.829	0.834	0.313
Compound_114	COC=C(c1ccccc1COc1cccc(n1)C(F)(F)F)C(=O)OC	0.636	0.62	0.601	0.621	0.905	0.636	0.777	0.992	0.739	0.133	0.918
Compound_115	OCCCCCCO	0.79	0.166	0.115	0.517	0.044	0.09	0.94	0.319	0.078	0.333	0.612
Compound_116	CCCC(C(CC)O)C(=O)O	0.616	0.076	0.014	0.196	0.097	0.01	0.713	0.358	0.199	0.858	0.07
Compound_117	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)CC(=O)c1ccccc1	0.081	0.381	0.01	0.062	0.059	0.45	0.001	0.099	0.111	0.005	0.047
Compound_118	CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C	0.442	0.456	0.988	0.602	0.249	0.191	0.038	0.043	0.429	0.067	0.131
Compound_119	FC(CNCc1ccc(nc1)Cl)F	0.117	0.209	0.031	0.37	0.146	0.194	0.1	0.073	0.105	0.179	0.061
Compound_120	COc1ccc2c(c1)cccc2	0.92	0.788	0.958	0.741	0.358	0.374	0.98	0.39	0.761	0.992	0.926
Compound_121	COCCOc1cc(C(=O)OCC)c(cc1OCCOC)N(=O)=O	0.342	0.508	0.995	0.675	0.644	0.558	0.914	0.588	0.386	0.517	0.829
Compound_122	CC(=O)CCc1ccc(cc1)O	0.85	0.156	0.334	0.611	0.43	0.694	0.885	0.505	0.593	0.036	0.071
Compound_123	CCOC(=O)C(c1ccc(cc1)C(=O)C1CC1)(C)C	0.567	0.17	0.221	0.649	0.272	0.366	0.769	0.108	0.346	0.466	0.705
Compound_124	C=CCCC(=O)Cl	0.907	0.12	0.29	0.722	0.215	0.055	0.999	0.998	0.172	0.998	0.965
Compound_125	NCCCCCCCCCCN	0.321	0.035	0.057	0.386	0.04	0.087	0.002	0.004	0.486	0.103	0.259
Compound_126	COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c1ccccc1	0.084	0.498	0.067	0.327	0.011	0.069	0.04	0.037	0.114	0.082	0.04
Compound_127	Oc1cccnc1N	0.228	0.471	0.229	0.51	0.077	0.204	0.002	0.121	0.706	0.513	0.589
Compound_128	CCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCC	0.988	0.078	0.234	0.807	0.82	0.729	1.0	0.994	0.972	1.0	0.943
Compound_129	Clc1ccc(c(c1)C)N(=O)=O	0.956	0.111	0.857	0.733	0.448	0.148	1.0	0.99	0.661	0.999	0.918
Compound_130	O=C1CCCCCN1C(=O)c1cccc(c1)C(=O)N1CCCCCC1=O	0.412	0.348	0.278	0.489	0.051	0.464	0.418	0.042	0.439	0.845	0.508
Compound_131	CC[N+]1(C)CCCC(C1)OC(=O)C(c1ccccc1)(c1ccccc1)O	0.058	0.578	0.009	0.577	0.091	0.059	0.004	0.011	0.058	0.001	0.139
Compound_132	Clc1ccc(cc1)c1nc2c([nH]1)cccc2	0.611	0.714	0.971	0.664	0.667	0.81	0.421	0.077	0.552	0.655	0.557
Compound_133	CN(CCSSCCN(C)C)C	0.218	0.184	0.005	0.117	0.089	0.078	0.048	0.188	0.362	0.453	0.549
Compound_134	BrCC(=O)c1ccc2c(c1)COc1c2cc2CCC(C(=O)c2c1)Br	0.711	0.536	0.762	0.723	0.793	0.727	0.985	0.87	0.484	0.91	0.969
Compound_135	NNc1ccc(cc1N(=O)=O)N(=O)=O	0.939	0.294	0.952	0.611	0.557	0.51	0.815	0.992	0.618	0.906	0.74
Compound_136	COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.574	0.76	0.99	0.748	0.632	0.515	0.56	0.894	0.402	0.989	0.82
Compound_137	OCCN(C)C	0.077	0.018	0.015	0.124	0.01	0.009	0.008	0.702	0.054	0.005	0.094
Compound_138	Clc1cc(c(cc1N)Cl)S(=O)(=O)O	0.408	0.319	0.966	0.415	0.687	0.654	0.29	0.687	0.423	0.198	0.197
Compound_139	Clc1ccc2c(c1)ocn2	0.12	0.552	0.87	0.527	0.689	0.613	0.099	0.163	0.994	0.96	0.892
Compound_140	O=c1ccc2c(o1)c(O)c(cc2)O	0.894	0.456	0.88	0.53	0.829	0.186	0.339	0.903	0.919	0.2	0.694
Compound_141	CC=Cc1ccc(cc1)OC	0.915	0.249	0.902	0.83	0.093	0.493	0.83	0.305	0.929	0.972	0.374
Compound_142	CCN(c1ccc(cc1)C)c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)C	0.363	0.706	0.957	0.627	0.887	0.707	0.992	0.178	0.473	0.893	0.854
Compound_143	COc1ccc(cc1)C(=C(Cl)Cl)c1ccc(cc1)O	0.928	0.745	0.708	0.806	0.939	0.985	0.654	0.172	0.541	0.729	0.983
Compound_144	OCCNc1ccc(cc1N(=O)=O)C(F)(F)F	0.754	0.368	0.791	0.49	0.76	0.083	0.188	0.597	0.314	0.0	0.649
Compound_145	OC(=O)CCC(C(=O)NCCc1cnc[nH]1)N	0.065	0.25	0.007	0.171	0.198	0.722	0.001	0.037	0.269	0.002	0.206
Compound_146	S=C(N1CCOCC1)SN1CCOCC1	0.321	0.306	0.138	0.53	0.046	0.493	0.042	0.463	0.581	0.783	0.457
Compound_147	O=C1CN=C(c2c(N1)ccc(c2)N)c1ccccc1F	0.718	0.659	0.966	0.633	0.232	0.669	0.844	0.416	0.657	0.133	0.638
Compound_148	CC(=O)c1c(O)cccc1O	0.888	0.216	0.801	0.671	0.41	0.359	0.494	0.712	0.723	0.49	0.15
Compound_149	CC(C(=O)c1ccc(cc1)C)CN1CCCCC1	0.206	0.139	0.077	0.049	0.008	0.254	0.015	0.834	0.058	0.141	0.025
Compound_150	CCOC(=O)C(O)C	0.497	0.048	0.103	0.612	0.047	0.055	0.87	0.12	0.108	0.092	0.577
Compound_151	Clc1ccc(c(c1)NN=C1C(=O)C(=Cc2c1cccc2)C(=O)Nc1ccccc1)Cl	0.615	0.641	0.993	0.716	0.818	0.805	0.999	0.954	0.443	0.984	0.917
Compound_152	CS(=O)(=O)Cl	0.794	0.198	0.402	0.632	0.397	0.139	0.984	0.998	0.597	0.997	0.603
Compound_153	Cc1nn(c(c1)C)c1nc2c([nH]1)cccc2	0.41	0.571	0.824	0.418	0.384	0.704	0.263	0.695	0.553	0.249	0.727
Compound_154	CC=C1CC2CC1C1C2C2CC1C=C2	1.001	0.542	0.412	0.539	0.706	0.651	0.337	0.962	0.431	0.998	0.892
Compound_155	CCC(OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O)C	0.902	0.646	0.435	0.695	0.923	0.743	0.705	0.69	0.374	0.912	0.333
Compound_156	Cc1nc(C)c(c(n1)N)Cl	0.335	0.35	0.755	0.492	0.252	0.379	0.452	0.844	0.607	0.295	-0.002
Compound_157	O=N(=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)N(=O)=O)C	0.847	0.394	0.609	0.54	0.136	0.183	0.724	0.533	0.41	0.569	0.885
Compound_158	O[C@H]1CC(=O)OC1	0.645	0.186	0.052	0.633	0.136	0.123	0.272	0.533	0.439	0.253	0.138
Compound_159	O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1	0.524	0.441	0.154	0.531	0.905	0.253	0.024	0.84	0.882	0.968	0.918
Compound_160	Oc1ccc(c(c1)O)O	0.959	0.192	0.86	0.588	0.646	0.047	0.94	0.484	0.346	0.827	0.313
Compound_161	COc1ccc(cc1NN=C1C(=O)C(=Cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC)C(=O)Nc1ccc(cc1)C(=O)N	0.712	0.748	0.989	0.641	0.812	0.725	0.994	0.361	0.411	0.906	0.759
Compound_162	CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)C(=O)C)C	0.677	0.78	0.242	0.405	0.561	0.668	0.114	0.643	0.746	0.045	0.318
Compound_163	CCCCCCOC(=O)Cl	0.835	0.032	0.26	0.723	0.066	0.08	0.998	0.998	0.867	1.0	0.964
Compound_164	OC(=O)[C@@H](c1ccc2c(c1)ccc(c2)O)C	0.059	0.746	0.076	0.351	0.773	0.844	0.955	0.516	0.403	0.91	0.515
Compound_165	OC(=O)c1ccc2c3c1c(ccc3C(=O)OC2=O)C(=O)O	0.613	0.482	0.855	0.338	0.228	0.731	0.966	0.107	0.699	0.048	0.788
Compound_166	COCCOCOCCOC	0.665	0.045	0.462	0.509	0.053	0.05	0.869	0.542	0.746	0.974	0.728
Compound_167	CC(=O)CC(O)(C)C	0.637	0.012	0.095	0.475	0.057	0.011	0.851	0.132	0.437	0.212	0.44
Compound_168	OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)NC(=O)CN=N#N	0.155	0.307	0.088	0.311	0.104	0.171	0.001	0.028	0.352	0.05	0.275
Compound_169	CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C	0.045	0.594	0.017	0.197	0.206	0.514	0.056	0.001	0.233	0.026	0.172
Compound_170	BrC1CCCCC=CCC(C(CC1)Br)Br	0.996	0.221	0.408	0.698	0.556	0.129	0.998	0.888	0.904	1.0	0.536
Compound_171	Nc1ccc(cc1)C(=Nc1ccc(cc1)C(=O)N)O	0.19	0.777	0.317	0.358	0.21	0.939	0.878	0.0	0.798	0.207	0.836
Compound_172	OC(=NC(C1NC(C(S1)(C)C)C(=O)O)C(=O)O)Cc1ccccc1	0.1	0.437	0.022	0.283	0.253	0.009	0.009	0.01	0.091	0.008	0.267
Compound_173	ClCCP(=O)(O)O	0.718	0.096	0.034	0.395	0.625	0.098	0.812	0.581	0.918	0.141	0.356
Compound_174	CCCC1CC(N(C1=O)C)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C	0.81	0.414	0.051	0.436	0.495	0.206	0.003	0.574	0.39	0.291	0.506
Compound_175	Clc1cc(Cl)c(cc1c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl	0.984	0.389	0.977	0.733	0.767	0.766	0.995	0.919	0.925	0.995	0.816
Compound_176	O=C(c1ccccc1)Nc1ccccc1	0.946	0.791	0.984	0.794	0.122	0.898	0.941	0.522	0.764	0.992	0.91
Compound_177	CCN(CCOC(=O)c1ccc(cc1Cl)N)CC	0.05	0.38	0.263	0.202	0.538	0.488	0.031	0.101	0.271	0.203	0.414
Compound_178	CCN(C(=O)C(c1ccccc1)O)CC	0.006	0.308	0.088	0.39	-0.0	0.086	0.007	0.033	0.1	0.018	0.012
Compound_179	CC(C(C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O)NC(=O)OC(C)(C)C)C	0.215	0.613	0.058	0.37	0.173	0.243	0.011	0.036	0.396	0.206	0.229
Compound_180	Cc1ccc(cc1)C	0.884	0.144	0.798	0.553	0.039	0.056	0.997	0.761	0.865	0.994	0.14
Compound_181	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCCCC=C1)(Cl)Cl)Cl	0.954	0.679	0.403	0.729	0.906	0.292	0.973	0.598	0.258	0.999	0.618
Compound_182	O=c1[nH]c(=O)c2c([nH]1)nc[nH]2	0.098	0.347	0.215	0.406	0.149	0.75	0.0	0.511	0.452	0.016	0.276
Compound_183	CC1(C)Nc2cccc3c2c(N1)ccc3	0.625	0.651	0.974	0.623	0.443	0.506	0.216	0.808	0.583	0.039	0.469
Compound_184	O=C(C(=C)C)OCCCCOC(=O)C(=C)C	0.975	0.127	0.11	0.688	0.397	0.074	0.992	0.924	0.916	0.999	0.968
Compound_185	O=Cc1cccc(c1)N(=O)=O	0.979	0.167	0.514	0.641	0.085	0.209	0.998	0.787	0.637	0.985	0.835
Compound_186	O=C(Nc1cc(C)c(cc1C)NC(=O)CC(=O)C)CC(=O)C	0.486	0.314	0.56	0.474	0.055	0.391	0.189	0.057	0.533	0.529	0.245
Compound_187	CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC	0.636	0.822	0.089	0.404	0.008	0.574	0.052	0.314	0.387	0.203	0.272
Compound_188	NC(=O)[C@@H](NCc1ccc(cc1)OCc1cccc(c1)F)C	0.135	0.546	0.498	0.305	0.133	0.516	0.002	0.03	0.199	0.026	0.201
Compound_189	CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC	0.799	0.374	0.281	0.567	0.5	0.259	0.991	0.824	0.846	0.84	0.415
Compound_190	OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC	0.04	0.178	0.321	0.142	0.507	0.098	0.004	0.065	0.058	0.804	0.544
Compound_191	CNC(CCC=C(C)C)C	0.097	0.07	0.163	0.38	0.032	0.011	0.0	0.875	0.43	0.197	0.519
Compound_192	CO[C@H]1C[C@@H](O[C@H]([C@@H]1OC(=O)C)C)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)C)N(C)C)[C@@H](C)C[C@]2(OC2)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]1C)C)C)OC(=O)C)C	0.186	0.747	0.004	0.169	0.533	0.61	0.061	0.199	0.224	0.045	0.699
Compound_193	Brc1cccc(c1)Oc1ccc(c(c1Br)Br)Br	0.964	0.704	0.944	0.679	0.648	0.652	0.998	0.961	0.39	0.999	0.995
Compound_194	Nc1ncnc2c1ncn2CCOCP(=O)(O)O	0.38	0.598	0.35	0.347	0.329	0.381	0.002	0.079	0.706	0.457	0.306
Compound_195	CCCCCCCCc1ccc(cc1)OCC(=O)O	0.57	0.285	0.119	0.351	0.373	0.262	0.937	0.097	0.311	0.809	0.292
Compound_196	CCCCC(COC(=O)Nc1cccc(c1)CN=C=O)CC	0.756	0.463	0.759	0.653	0.104	0.528	0.036	0.429	0.43	0.695	0.279
Compound_197	OC1C(O)N(C(=O)N1C)C	0.034	0.172	0.029	0.452	0.039	0.02	0.001	0.017	0.364	0.065	0.118
Compound_198	COP(=S)(Oc1ccc(c(c1)Cl)N(=O)=O)OC	0.996	0.677	0.969	0.783	0.924	0.339	0.996	0.97	0.708	0.955	0.82
Compound_199	BrC=Cc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O	0.333	0.19	0.002	0.302	0.154	0.309	0.15	0.046	0.249	0.142	0.819
Compound_200	CC1(C)OCC=CCO1	0.858	0.179	0.431	0.548	0.525	0.166	0.994	0.955	0.876	1.0	0.862
Compound_201	BrCCCC1(C)OCCO1	0.834	0.325	0.18	0.644	0.214	0.132	0.998	0.956	0.39	0.983	0.89
Compound_202	CCC(=O)CC(=O)OC	0.62	0.018	0.322	0.521	0.047	0.028	0.992	0.96	0.392	0.116	0.829
Compound_203	CCCC[N+](Cc1ccccc1)(CCCC)CCCC	0.099	0.605	0.599	0.632	0.01	0.82	0.896	0.22	0.725	0.389	0.08
Compound_204	CCCC(C(=O)CC)C(=O)O	0.597	0.038	0.074	0.219	0.113	0.034	0.883	0.092	0.207	0.561	0.239
Compound_205	SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	0.011	0.043	0.002	0.349	0.206	0.087	0.0	0.006	0.058	0.009	0.105
Compound_206	CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC	0.639	0.821	0.298	0.525	0.665	0.722	0.378	0.249	0.398	0.176	0.5
Compound_207	CC(CN(CC(O)C)C)O	0.034	0.052	0.022	0.086	0.023	0.015	0.006	0.035	0.225	0.004	0.107
Compound_208	CC(=O)N(C(=O)C)CCN(C(=O)C)C(=O)C	0.152	0.082	0.259	0.47	0.032	0.041	0.008	0.089	0.493	0.28	0.553
Compound_209	ClCCC1NC(=O)c2c(O1)cccc2	0.23	0.527	0.257	0.492	0.087	0.724	0.2	0.75	0.766	0.468	0.368
Compound_210	CC(OC(=O)C(=C1SCCS1)C(=O)OC(C)C)C	0.742	0.475	0.146	0.545	0.672	0.505	0.993	0.508	0.866	0.995	0.954
Compound_211	CC[C@@]12CC[C@H]3[C@H]([C@@H]2CCC1=O)CCC1=CC(=O)CC[C@H]31	0.997	0.98	0.381	0.778	0.89	0.884	0.015	0.909	0.182	1.0	0.889
Compound_212	CCOC(=O)[C@]1(CCC=C[C@@H]1N)c1ccccc1	0.254	0.568	0.324	0.556	0.034	0.186	0.009	0.654	0.181	0.047	0.385
Compound_213	Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N	0.585	0.205	0.737	0.59	0.316	0.617	0.644	0.256	0.64	0.221	0.285
Compound_214	CS(=O)(=O)c1nc2c(s1)cccc2	0.947	0.526	0.989	0.527	0.555	0.648	0.998	0.918	0.666	0.848	0.147
Compound_215	CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.969	0.871	0.047	0.508	0.909	0.109	0.965	0.878	0.713	0.847	0.887
Compound_216	Clc1ccc2c(c1)[nH]c(=S)s2	0.802	0.467	0.281	0.496	0.541	0.74	0.913	0.08	0.994	0.998	0.542
Compound_217	N[C@H](c1ccccc1)C(=O)O	0.006	0.14	0.601	0.241	0.013	0.029	0.016	0.002	0.106	0.002	0.133
Compound_218	BrC1C=CCC(Br)C(Br)CCC(C(CC1)Br)Br	0.977	0.221	0.383	0.688	0.557	0.463	0.998	0.922	0.895	1.0	0.536
Compound_219	Oc1ccc(c2c1cccc2)S(=O)(=O)O	0.812	0.437	0.945	0.538	0.442	0.593	0.511	0.889	0.526	0.908	0.306
Compound_220	Cc1n(=O)cc(c(c1C)N(=O)=O)C	0.28	0.413	0.65	0.466	0.101	0.333	0.036	0.99	0.724	0.809	0.852
Compound_221	CCCC(CO)O	0.648	0.195	0.045	0.529	0.049	0.034	0.921	0.013	0.261	0.255	0.137
Compound_222	COP(=S)(Oc1ccc(cc1)C#N)OC	0.972	0.361	0.901	0.75	0.671	0.118	0.827	0.264	0.845	0.388	0.652
Compound_223	CCC(CC1(CCCCC1)C#N)CC	0.996	0.169	0.111	0.449	0.537	0.163	0.592	0.878	0.617	0.957	0.841
Compound_224	COCCc1ccc(cc1)O	0.631	0.186	0.698	0.641	0.588	0.836	0.935	0.27	0.628	0.019	0.308
Compound_225	CCCC[C@](c1ccc(cc1Cl)Cl)(Cn1cncn1)O	0.832	0.924	0.767	0.861	0.221	0.841	0.045	0.772	0.464	0.444	0.594
Compound_226	CCC(CC(CO)CC)CO	0.752	0.051	0.079	0.461	0.068	0.048	0.962	0.038	0.195	0.484	0.665
Compound_227	CCC(CO)(CO)N	0.049	0.11	0.044	0.345	0.004	0.01	0.024	0.006	0.283	0.001	0.086
Compound_228	O=N(=O)c1ccc(cc1)Oc1ccc(cc1)N(=O)=O	0.978	0.838	0.96	0.654	0.929	0.975	0.999	0.993	0.18	0.997	0.964
Compound_229	CCCOCC(OCC(O)C)C	0.583	0.145	0.062	0.563	0.15	0.174	0.753	0.283	0.318	0.688	0.647
Compound_230	CCC(CO)N	0.027	0.079	0.277	0.315	0.008	0.008	0.002	0.006	0.151	0.054	0.077
Compound_231	Cc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.287	0.162	0.019	0.25	0.006	0.097	0.001	0.076	0.426	0.018	0.097
Compound_232	OCC1(C)CCCC2(C1CCC1=CC(CCC21)C(C)C)C	0.985	0.418	0.467	0.57	0.792	0.693	0.736	0.777	0.346	0.417	0.404
Compound_233	Clc1cccc(c1C)Cl	0.952	0.076	0.751	0.633	0.284	0.078	0.99	0.958	0.574	0.999	0.141
Compound_234	NC1CCCCC1	0.113	0.099	0.102	0.377	0.016	0.124	0.002	0.01	0.778	0.657	0.02
Compound_235	Oc1cnc2c(c1)cc[nH]2	0.344	0.643	0.766	0.505	0.236	0.61	0.001	0.745	0.749	0.916	0.795
Compound_236	NC(=O)N1c2ccccc2C(=C(c2c1cccc2)O)O	0.475	0.506	0.023	0.202	0.752	0.632	0.983	0.003	0.631	0.011	0.276
Compound_237	CCC=CCCCCCCCC(=O)OC	0.967	0.009	0.397	0.598	0.276	0.011	0.995	0.981	0.251	0.999	0.94
Compound_238	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC	0.405	0.358	0.036	0.224	0.158	0.724	0.063	0.012	0.449	0.181	0.362
Compound_239	CC(COCC(Cl)C)Cl	0.871	0.185	0.396	0.629	0.06	0.049	0.999	0.978	0.733	0.994	0.942
Compound_240	OC(=N)CS(=O)(=O)C(c1ccccc1)c1ccccc1	0.438	0.352	0.077	0.316	0.275	0.276	0.895	0.008	0.416	0.039	0.296
Compound_241	O=C1CN2CCC1CC2	0.265	0.362	0.343	0.286	0.009	0.021	0.001	0.308	0.284	0.546	0.194
Compound_242	FC(CC(F)(F)F)(F)F	0.905	0.078	0.292	0.625	0.295	0.06	0.973	0.823	0.738	1.0	0.894
Compound_243	COC1(C)CCC23CC1C(C)(C)C2CCC3C	0.968	0.583	0.024	0.463	0.448	0.251	0.103	0.308	0.434	0.978	0.546
Compound_244	CC=CCCC1CCCC(=O)O1	0.942	0.259	0.237	0.582	0.39	0.034	0.986	0.936	0.134	0.991	0.171
Compound_245	CCCCC(C(=O)N(c1ccccc1)Nc1ccccc1)C(=O)O	0.218	0.587	0.17	0.309	0.398	0.532	0.186	0.074	0.363	0.445	0.235
Compound_246	CCCC(=O)O	0.364	0.026	0.173	0.106	0.051	0.002	0.967	0.076	0.214	0.041	0.079
Compound_247	OC(=O)/C=C/c1ccccc1	0.849	0.172	0.327	0.354	0.299	0.313	0.992	0.219	0.778	0.295	0.239
Compound_248	CNCCc1ccc(cc1)N(=O)=O	0.354	0.296	0.139	0.308	0.167	0.247	0.01	0.271	0.511	0.081	0.49
Compound_249	CC(N(C)C)CN1c2cc(ccc2Sc2c1cccc2)C(=O)C	0.097	0.623	0.244	0.179	0.844	0.245	0.035	0.075	0.365	0.005	0.158
Compound_250	O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CN1C(=O)c2c(C1=O)cccc2	0.705	0.683	0.128	0.505	0.297	0.554	0.595	0.057	0.343	0.361	0.312
Compound_251	N#CCC(=O)OCCc1ccccc1	0.619	0.249	0.27	0.681	0.313	0.107	0.996	0.977	0.616	0.406	0.903
Compound_252	OCCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCCO)(C)C	0.624	0.474	0.732	0.728	0.682	0.701	0.973	0.851	0.274	0.978	0.918
Compound_253	CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C	0.779	0.406	0.19	0.378	0.647	0.652	0.099	0.55	0.295	0.846	0.109
Compound_254	OCCOCCN1CCNCC1	0.011	0.139	0.004	0.128	0.032	0.007	0.0	0.259	0.095	0.028	0.075
Compound_255	N#CC1(CCC(=O)CC1)c1ccc(c(c1)OC1CCCC1)OC	0.718	0.499	0.518	0.635	0.732	0.735	0.167	0.619	0.317	0.179	0.831
Compound_256	Cc1c[nH]c(=O)[nH]c1=O	0.083	0.421	0.134	0.338	0.031	0.011	0.051	0.017	0.655	0.058	0.832
Compound_257	BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br	0.828	0.483	0.975	0.785	0.681	0.697	0.98	0.976	0.383	0.991	0.959
Compound_258	Cc1ccc(c(c1)O)C	0.778	0.093	0.921	0.598	0.181	0.098	0.356	0.987	0.22	0.948	0.343
Compound_259	COC(=O)C=Cc1ccccc1	0.977	0.231	0.802	0.757	0.151	0.261	0.996	0.949	0.578	0.963	0.262
Compound_260	Oc1ccc(cc1Br)C(c1ccc(c(c1)Br)O)(C)C	0.977	0.512	0.684	0.675	0.684	0.722	0.994	0.987	0.599	0.996	0.989
Compound_261	OC(=O)C(c1ccccc1)OC(=O)C	0.045	0.119	0.315	0.274	0.018	0.023	0.96	0.12	0.319	0.052	0.158
Compound_262	Nc1c(C)cccc1N	0.746	0.334	0.968	0.554	0.062	0.005	0.98	0.97	0.872	0.975	0.781
Compound_263	Oc1ccc(cc1)NC(=O)c1ccccc1O	0.88	0.869	0.993	0.879	0.646	0.898	0.842	0.615	0.95	0.573	0.781
Compound_264	N=C(NC(=O)N)NC(=O)NS(=O)(=O)c1ccccc1C(F)(F)F	0.139	0.274	0.004	0.164	0.199	0.663	0.058	0.173	0.24	0.001	0.43
Compound_265	CC(CC(=O)C=Cc1ccccc1)C	0.957	0.129	0.919	0.783	0.049	0.076	0.628	0.548	0.714	0.983	0.4
Compound_266	OC(COc1ccc(cc1C(=O)C)NC(=O)C)CNC(C)C	0.041	0.599	0.003	0.198	0.148	0.311	0.003	0.001	0.236	0.025	0.082
Compound_267	CCOc1nc(F)cc2n1nc(n2)SSc1nn2c(n1)cc(nc2OCC)F	0.723	0.563	0.438	0.505	0.573	0.618	0.027	0.084	0.267	0.254	0.679
Compound_268	CC(C(=O)N(c1ccccc1)C)O	0.739	0.441	0.139	0.488	0.04	0.1	0.878	0.022	0.141	0.031	0.064
Compound_269	CCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)O	0.711	0.25	0.125	0.337	0.895	0.672	0.996	0.273	0.123	0.82	0.651
Compound_270	OC(c1ccccc1)C(=O)O	0.017	0.141	0.079	0.236	0.038	0.043	0.833	0.057	0.059	0.046	0.163
Compound_271	OC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N	0.088	0.319	0.012	0.248	0.576	0.623	0.085	0.06	0.373	0.107	0.257
Compound_272	COC=CC	0.893	0.103	0.908	0.638	0.144	0.022	0.997	0.915	0.924	0.994	0.864
Compound_273	CCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428
Compound_274	Cc1cc(C)c(c(c1)C)C(=O)P(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1	0.682	0.478	0.908	0.566	0.859	0.275	0.997	0.33	0.91	0.37	0.752
Compound_275	CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC(C)C	0.964	0.014	0.865	0.751	0.411	0.063	0.996	0.957	0.222	1.0	0.937
Compound_276	ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl	0.958	0.735	0.077	0.661	0.977	0.989	0.981	0.876	0.068	0.88	0.998
Compound_277	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_278	Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2	0.435	0.419	0.649	0.297	0.441	0.09	0.049	0.874	0.358	0.05	0.213
Compound_279	CC(NCC(c1ccc(c(c1)O)O)O)C	0.023	0.186	0.003	0.013	0.056	0.005	0.0	0.015	0.128	0.004	0.009
Compound_280	O=C=Nc1ccc(cc1)OP(=S)(Oc1ccc(cc1)N=C=O)Oc1ccc(cc1)N=C=O	0.856	0.692	0.95	0.659	0.99	0.574	0.998	0.779	0.875	0.429	0.585
Compound_281	CCOc1cc(ccc1OCC)C=C1NCCc2c1cc(OCC)c(c2)OCC	0.433	0.597	0.147	0.399	0.14	0.619	0.033	0.104	0.236	0.033	0.66
Compound_282	CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC	0.595	0.073	0.731	0.747	0.488	0.102	0.98	0.996	0.395	0.972	0.586
Compound_283	Oc1ccc2c(c1)oc(=O)cc2	0.902	0.525	0.921	0.599	0.555	0.609	0.892	0.572	0.959	0.842	0.647
Compound_284	CCc1ccccc1CC	0.758	0.157	0.884	0.577	0.051	0.012	0.984	0.724	0.89	0.999	0.538
Compound_285	CC(C1(C)CC(c2c1cc(C)c(c2)C(=O)C)(C)C)C	0.85	0.321	0.455	0.562	0.1	0.57	0.06	0.101	0.879	0.98	0.763
Compound_286	CC(=O)C[C@H]1[C@H](C1(C)C)C(=O)O	0.499	0.195	0.027	0.147	0.016	0.019	0.735	0.645	0.373	0.246	0.36
Compound_287	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	0.505	0.512	0.078	0.148	0.521	0.098	0.054	0.93	0.386	0.641	0.918
Compound_288	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1	0.926	0.498	0.315	0.324	0.807	0.653	0.983	0.205	0.445	0.17	0.763
Compound_289	CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)(C)C	0.881	1.0	0.01	0.985	0.937	0.915	0.948	0.02	0.31	0.433	0.117
Compound_290	Oc1ccc(cc1)C(=O)c1ccccc1	0.948	0.752	0.814	0.785	0.905	0.996	0.993	0.544	0.934	0.396	0.805
Compound_291	NC(=CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(cc1F)F	0.281	0.611	0.442	0.694	0.267	0.772	0.206	0.958	0.503	0.009	0.108
Compound_292	O=N(=O)OCCOCCON(=O)=O	0.765	0.122	0.145	0.484	0.061	0.164	0.611	0.652	0.811	0.951	0.344
Compound_293	Brc1ccc(c(c1)Cl)Cl	0.989	0.074	0.849	0.629	0.296	0.411	0.998	0.925	0.661	1.0	0.54
Compound_294	CCOCCC(=O)OCC	0.8	0.041	0.359	0.661	0.074	0.017	0.96	0.649	0.22	0.995	0.88
Compound_295	CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C	0.624	0.679	0.356	0.386	0.649	0.881	0.209	0.383	0.639	0.497	0.5
Compound_296	c1ccc2c(c1)c1[nH]c2Nc2[nH]c(c3c2cccc3)N=c2[nH]c(=Nc3[nH]c(N1)c1ccccc31)c1c2cccc1	0.78	0.714	0.789	0.596	0.766	0.653	0.557	0.61	0.971	0.888	0.829
Compound_297	CC(F)(F)F	0.904	0.076	0.428	0.635	0.105	0.019	0.913	0.935	0.788	1.0	0.83
Compound_298	CCCOC(=O)[C@@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccccc1	0.216	0.641	0.025	0.286	0.014	0.105	0.039	0.08	0.136	0.178	0.424
Compound_299	CI	0.905	0.238	0.433	0.553	0.531	0.192	0.917	0.932	0.765	0.997	0.761
Compound_300	CCc1nc[nH]c(=O)c1F	0.15	0.371	0.156	0.407	0.081	0.025	0.106	0.549	0.749	0.004	0.381
Compound_301	O=C(OC(C)(C)C)CC1CC(CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(O1)(C)C	0.558	0.763	0.977	0.812	0.874	0.757	0.997	0.993	0.231	0.974	0.394
Compound_302	OC(=O)C1CCCCC1	0.526	0.07	0.073	0.189	0.048	0.008	0.917	0.293	0.086	0.261	0.04
Compound_303	CC(=O)OC1C(CC2C1(C)CCC1C2CCC2C1(C)CC(N1CCOCC1)C(C2)O)N1CCCC1	0.276	0.719	0.02	0.235	0.589	0.556	0.013	0.125	0.191	0.798	0.728
Compound_304	CCCCC(C(=O)OC)CC	0.828	0.013	0.243	0.559	0.037	0.006	0.981	0.9	0.292	0.995	0.845
Compound_305	COc1ccc(cc1/N=N/S(=O)(=O)O)c1ccccc1	0.729	0.702	0.791	0.476	0.528	0.626	0.998	0.589	0.459	0.746	0.377
Compound_306	CCCCC(COC(=O)OOC(C)(C)C)CC	0.843	0.019	0.052	0.558	0.138	0.102	0.977	0.132	0.716	0.976	0.485
Compound_307	O=S1(=O)CCCC1	0.69	0.545	0.213	0.493	0.129	0.064	0.937	0.987	0.685	0.991	0.337
Compound_308	NNc1ccccc1N(=O)=O	0.936	0.245	0.935	0.606	0.454	0.394	0.959	0.993	0.58	0.834	0.721
Compound_309	c1ncc[nH]1	0.578	0.302	0.478	0.342	0.327	0.759	0.0	0.188	0.872	0.605	0.721
Compound_310	CC(=O)C(C(=O)Nc1cc(Cl)c(cc1C)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)O)N=Nc1cc(ccc1Cl)C(=O)O	0.475	0.656	0.912	0.644	0.841	0.758	0.088	0.623	0.422	0.993	0.405
Compound_311	COC(=O)Cc1ccccc1	0.267	0.159	0.48	0.551	0.027	0.016	0.997	0.647	0.445	0.164	0.155
Compound_312	O=C(NCc1ccccc1)NCCCCCCNC(=O)NCc1ccccc1	0.26	0.304	0.519	0.285	0.09	0.879	0.578	0.131	0.701	0.02	0.13
Compound_313	COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C	0.952	0.687	0.421	0.437	0.942	0.898	0.981	0.775	0.848	0.884	0.716
Compound_314	C=CCNc1nc(nc(n1)NCC=C)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F	0.167	0.561	0.291	0.209	0.248	0.716	0.864	0.916	0.64	0.037	0.446
Compound_315	O=C=Nc1ccc(c(c1)Cl)C	0.679	0.5	0.552	0.69	0.75	0.567	0.999	0.146	0.843	0.972	0.668
Compound_316	CCCCC(COCOCC(CCCC)CC)CC	0.899	0.085	0.136	0.541	0.064	0.198	0.999	0.187	0.651	0.998	0.866
Compound_317	CCCCCCCC(=O)OCCCOC(=O)CCCCCCC	0.924	0.011	0.296	0.716	0.075	0.083	0.997	0.633	0.394	0.988	0.911
Compound_318	OCC(C)(C)C	0.729	0.042	0.113	0.47	0.03	0.029	0.907	0.582	0.431	0.275	0.686
Compound_319	CNCCON=c1c2ccccc2ccc2c1cccc2	0.364	0.644	0.193	0.304	0.167	0.239	0.059	0.016	0.49	0.026	0.406
Compound_320	CC(OC(=O)C(=C)C)CO	0.892	0.134	0.032	0.513	0.37	0.074	0.669	0.847	0.793	0.794	0.795
Compound_321	CC(=O)Oc1ccc(cc1)C1CC1(Cl)Cl	0.739	0.32	0.366	0.603	0.879	0.447	0.898	0.194	0.35	0.971	0.374
Compound_322	CCOP(=O)(Oc1ccc(cc1)S(=O)C)OCC	0.797	0.506	0.981	0.688	0.129	0.19	0.909	0.433	0.247	0.986	0.32
Compound_323	Cc1ccc(c(c1)S(=O)(=O)O)N	0.351	0.19	0.928	0.27	0.567	0.533	0.924	0.025	0.399	0.021	0.132
Compound_324	O=C1NC(C(C)C)C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C(C(=O)OC(C1NC(=O)c1c2nc3c(ccc(c3oc2c(c(=O)c1N)C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C(=O)C2N(C(=O)C(NC1=O)C(C)C)CCC2)C)C)C(C)C)C	0.952	0.516	0.045	0.688	0.791	0.898	0.977	0.967	0.41	0.275	0.928
Compound_325	Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O	0.15	0.582	0.423	0.653	0.701	0.67	0.16	0.559	0.66	0.985	0.415
Compound_326	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N1CCOCC1)Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N1CCOCC1	0.921	0.498	0.751	0.317	0.823	0.653	0.983	0.255	0.429	0.17	0.763
Compound_327	CCCCCC(CCC)CO	0.929	0.041	0.07	0.566	0.063	0.041	0.923	0.11	0.53	0.826	0.666
Compound_328	CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C	0.028	0.125	0.018	0.081	0.104	0.098	0.002	0.011	0.373	0.005	0.073
Compound_329	OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O	0.191	0.187	0.036	0.358	0.116	0.339	0.056	0.037	0.353	0.51	0.005
Compound_330	Oc1c(cc(cc1c1ccccc1)C(C(F)(F)F)(c1cc(c2ccccc2)c(c(c1)c1ccccc1)O)C)c1ccccc1	0.975	0.593	0.883	0.76	0.997	0.989	0.764	0.972	0.6	0.947	0.9
Compound_331	NCCN[C@@H]1NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](C[C@H]1O)NC(=O)CCCCCCCCC(CC(CC)C)C)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@@H](CCN)O	0.416	0.582	0.0	0.156	0.554	0.702	0.004	0.094	0.354	0.068	0.489
Compound_332	CCC(C(=O)O)(CCC(C)C)C	0.641	0.033	0.57	0.196	0.15	0.013	0.814	0.441	0.044	0.279	0.396
Compound_333	CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N	0.053	0.228	0.025	0.1	0.622	0.086	0.002	0.098	0.058	0.826	0.1
Compound_334	O=C(C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F	0.931	0.101	0.44	0.637	0.219	0.023	0.919	0.978	0.497	0.999	0.971
Compound_335	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.756	0.218	0.572	0.269	0.931	0.31	0.989	0.171	0.44	0.925	0.11
Compound_336	O=C(c1ccc(cc1)C(=O)OCC1OC1)OCC1OC1	0.439	0.261	0.944	0.67	0.783	0.377	0.903	0.016	0.903	0.87	0.956
Compound_337	O=C(NC(C(=O)NCC(=O)O)CSc1c(O)cc(c(c1Cl)Nc1ccccc1CC(=O)O)Cl)CCC(C(=O)O)N	0.358	0.496	0.061	0.353	0.71	0.651	0.063	0.101	0.196	0.294	0.293
Compound_338	CC(c1ccc(cc1)N)(c1ccc(cc1)C(c1ccc(cc1)N)(C)C)C	0.949	0.542	0.93	0.554	0.944	0.993	0.998	0.761	0.925	0.781	0.958
Compound_339	COC1CC2[N+](C1CC(C2)OC(=O)C(c1ccccc1)(c1ccccc1)O)(C)C	0.1	0.674	0.029	0.391	0.147	0.036	0.025	0.053	0.246	0.046	0.205
Compound_340	O=C(N(C)C)Nc1ccc(c(c1)Cl)C(=O)O	0.652	0.464	0.314	0.499	0.63	0.74	0.607	0.19	0.628	0.102	0.088
Compound_341	ClCC(=O)[C@@]1(O)C(C)CC2C1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=CC12C)F	0.976	1.0	0.781	0.99	0.961	0.934	0.213	0.236	0.288	0.359	0.062
Compound_342	OCC1COC(O1)(C)C	0.488	0.117	0.05	0.455	0.069	0.095	0.318	0.22	0.34	0.162	0.363
Compound_343	CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	0.381	0.417	0.6	0.38	0.156	0.692	0.095	0.98	0.785	0.03	0.088
Compound_344	C=CC(=C)C	0.904	0.24	0.715	0.64	0.11	0.003	0.977	0.998	0.885	1.0	0.949
Compound_345	CC(CC(C)(C)C)C	0.909	0.038	0.685	0.442	0.106	0.021	0.936	0.493	0.739	0.998	0.626
Compound_346	CCCCCCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.067	0.864	0.981	0.9	0.914	0.15	0.5
Compound_347	COc1ccc(cc1)C=CC(=O)OCCC(C)C	0.943	0.287	0.881	0.877	0.475	0.827	0.812	0.285	0.297	0.866	0.178
Compound_348	N#CC(=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2c1cccc2)C(=O)NC	0.393	0.703	0.837	0.354	0.385	0.195	0.015	0.655	0.389	0.009	0.745
Compound_349	CCNc1nc(cc(n1)C)OP(=S)(OC)OC	0.505	0.419	1.0	0.565	0.343	0.232	0.0	0.316	0.14	0.633	0.421
Compound_350	CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C	0.64	0.392	0.647	0.548	0.097	0.585	0.047	0.218	0.994	0.943	0.667
Compound_351	Cc1ccc2c(c1)ccc(=O)o2	0.776	0.738	0.961	0.6	0.286	0.944	0.135	0.832	0.972	0.989	0.802
Compound_352	CCCCC(=O)N1[C@@H](C(C)C)C(=O)OC1c1ccc(cc1)Br	0.302	0.431	0.474	0.589	0.15	0.606	0.715	0.903	0.384	0.086	0.167
Compound_353	CCCCCCCCCCCCSC(CC#N)C	0.913	0.116	0.117	0.589	0.743	0.245	0.998	0.968	0.528	0.993	0.954
Compound_354	OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O	0.57	0.096	0.409	0.373	0.026	0.081	0.659	0.652	0.75	0.011	0.337
Compound_355	N#Cc1c(C)cc(=O)n(c1O)CCCOC(C)C	0.392	0.528	0.22	0.514	0.764	0.237	0.003	0.819	0.624	0.008	0.327
Compound_356	CCOC(=O)c1cnn(c1S(=O)(=O)NC(=Nc1nc(OC)cc(n1)OC)O)C	0.343	0.388	0.959	0.15	0.318	0.569	0.013	0.055	0.228	0.303	0.414
Compound_357	O=C(Nc1ccc(cc1C)c1ccc(c(c1)C)NC(=O)CC(=O)C)CC(=O)C	0.582	0.604	0.872	0.621	0.34	0.885	0.864	0.564	0.449	0.626	0.529
Compound_358	Clc1c(Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl	0.969	0.122	0.883	0.617	0.113	0.473	0.999	0.995	0.758	0.999	0.936
Compound_359	CCCCCCCCCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.706	0.179	0.199	1.0	0.861	0.94	0.998	0.912
Compound_360	CN(=O)(CCCN1c2ccccc2CCc2c1cccc2)C	0.07	0.76	0.673	0.565	0.683	0.744	0.962	0.258	0.279	0.004	0.449
Compound_361	C[C@@H]1O[C@@H]1P(=O)(O)O	0.442	0.292	0.061	0.295	0.602	0.316	0.978	0.015	0.489	0.851	0.249
Compound_362	CCCC(=O)c1ccc(cc1)N1CCOCC1	0.681	0.399	0.579	0.523	0.156	0.642	0.041	0.956	0.412	0.307	0.31
Compound_363	CC[N+](CCOC(=O)C1c2ccccc2Oc2c1cccc2)(CC)C	0.053	0.726	0.121	0.664	0.294	0.106	0.034	0.017	0.148	0.027	0.204
Compound_364	[NH3+]CCCOCCOCCOCCC[NH3+]	0.072	0.104	0.089	0.43	0.065	0.07	0.003	0.077	0.723	0.32	0.448
Compound_365	Cc1ccn[nH]1	0.539	0.259	0.731	0.459	0.568	0.551	0.033	0.327	0.809	0.483	0.662
Compound_366	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCCC2C(C1)C1(Cl)C3(C(C2(C1(Cl)Cl)Cl)(O3)Cl)Cl)(Cl)Cl)Cl	0.933	0.642	0.62	0.656	0.807	0.645	0.987	0.911	0.296	0.999	0.911
Compound_367	C=CS(=O)(=O)CCOCCNc1nc(Nc2ccc(cc2)N=Nc2ccc(cc2)N=Nc2cc3c(cc(cc3c(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)nc(n1)F	0.696	0.468	0.982	0.494	0.736	0.663	0.882	0.831	0.418	0.294	0.688
Compound_368	CC(COC(=O)C(=C)C)C	0.952	0.022	0.086	0.632	0.412	0.045	0.996	0.846	0.662	0.993	0.944
Compound_369	CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC	0.988	0.078	0.234	0.807	0.82	0.729	1.0	0.994	0.972	1.0	0.943
Compound_370	CCC(c1ccc(cc1)O)CCc1ccc(cc1)O	0.808	0.64	0.16	0.518	0.949	0.966	0.963	0.734	0.37	0.967	0.902
Compound_371	Clc1ccc(cc1C)S(=O)(=O)C	0.735	0.521	0.64	0.56	0.438	0.755	0.98	0.069	0.413	0.993	0.214
Compound_372	Clc1cc(Cl)c2c(c1)c(=O)c1c([nH]2)c2C(=O)c3ccccc3C(=O)c2c(c1)Cl	0.778	0.63	0.85	0.603	0.728	0.675	0.998	0.844	0.801	0.422	0.983
Compound_373	CSC(=NC#N)SC	0.726	0.169	0.303	0.522	0.5	0.309	0.661	0.785	0.795	0.936	0.774
Compound_374	CCN(c1ccc(c(c1)NC(=O)C)N=Nc1sc(c(c1C#N)Cl)C=O)CC	0.545	0.599	0.68	0.537	0.64	0.701	0.178	0.817	0.612	0.986	0.528
Compound_375	Oc1ccc(cc1)Br	0.971	0.153	0.711	0.593	0.595	0.574	0.991	0.118	0.674	0.875	0.777
Compound_376	CCCCCC(CO)C	0.844	0.041	0.076	0.56	0.048	0.027	0.889	0.11	0.264	0.826	0.666
Compound_377	Oc1ccc(cc1)C(=O)c1ccc(c(c1O)O)O	0.958	0.761	0.889	0.777	0.939	0.898	0.936	0.799	0.95	0.953	0.658
Compound_378	OC1C(O)C(OC1n1ccc(nc1=O)N)COP(=O)(O)O	0.724	0.312	0.028	0.454	0.342	0.125	0.042	0.007	0.232	0.011	0.506
Compound_379	Clc1cc(Cl)c2c(c1)oc1c2cc(cc1Cl)Cl	0.734	0.623	0.974	0.565	0.624	0.738	0.948	0.854	0.714	0.999	0.97
Compound_380	CCNC(C(=O)c1ccc2c(c1)OCO2)C	0.075	0.332	0.56	0.236	0.017	0.381	0.006	0.088	0.217	0.121	0.448
Compound_381	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	0.071	0.411	0.048	0.186	0.015	0.018	0.003	0.012	0.118	0.341	0.021
Compound_382	CC(CNCC(O)C)O	0.004	0.098	0.005	0.249	0.012	0.001	0.001	0.005	0.043	0.005	0.028
Compound_383	CC(Nc1ccc(cc1)N)CCC(C)C	0.497	0.209	0.969	0.379	0.07	0.474	0.001	0.913	0.254	0.225	0.203
Compound_384	CN(Cc1ccccc1Cl)C	0.435	0.264	0.164	0.293	0.065	0.323	0.067	0.864	0.466	0.597	0.037
Compound_385	N#CC(O)(C)C	0.725	0.1	0.104	0.478	0.085	0.021	0.544	0.411	0.583	0.103	0.744
Compound_386	OC(=O)CC(=CC(C(=O)O)Br)C(c1cc(Br)c(c(c1)Br)O)(C)C	0.749	0.407	0.261	0.473	0.706	0.73	0.946	0.979	0.267	0.991	0.885
Compound_387	OC(C(=O)c1ccccc1)c1ccccc1	0.048	0.569	0.175	0.349	0.093	0.833	0.891	0.051	0.186	0.35	0.869
Compound_388	Brc1cc(Br)c(cc1Br)Br	0.971	0.08	0.898	0.651	0.194	0.641	0.999	0.991	0.933	1.0	0.442
Compound_389	CCC(=O)NC1CCc2c(C1)sc(n2)N	0.458	0.485	0.008	0.334	0.07	0.579	0.004	0.445	0.142	0.431	0.132
Compound_390	CCOc1ccc(cc1)NC(=O)CC(O)C	0.152	0.381	0.227	0.51	0.394	0.098	0.073	0.03	0.058	0.005	0.179
Compound_391	OCCCOCC(COCCCO)(COCCCO)COCCCO	0.794	0.103	0.079	0.498	0.209	0.783	0.423	0.24	0.145	0.656	0.648
Compound_392	CCN(C1=CC2Oc3cc(N(CC)CC)c(cc3C(=C2C=C1C)c1ccccc1C(=O)OC)C)CC	0.796	0.885	0.358	0.389	0.94	0.844	0.975	0.868	0.815	0.886	0.908
Compound_393	OC(=O)c1ccccc1Cl	0.634	0.08	0.572	0.467	0.416	0.189	0.981	0.204	0.69	0.915	0.391
Compound_394	ClC1C(Cl)(Cl)C(C(C1(Cl)Cl)(Cl)Cl)Cl	0.96	0.35	0.627	0.58	0.718	0.655	0.991	0.833	0.406	0.998	0.697
Compound_395	OC(=O)C(Br)(Cl)Cl	0.781	0.016	0.047	0.438	0.604	0.257	0.91	0.998	0.652	0.668	0.975
Compound_396	C=CCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)O)(C)C	0.917	0.502	0.936	0.729	0.688	0.707	0.982	0.997	0.298	0.965	0.865
Compound_397	CCOC(CN(C)C)OCC	0.116	0.135	0.01	0.169	0.035	0.023	0.016	0.112	0.09	0.61	0.394
Compound_398	CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CCCC	0.952	0.672	0.274	0.675	0.905	0.252	0.976	0.963	0.495	0.381	0.603
Compound_399	CCCCCCCCCCCCNCCCN	0.264	0.096	0.019	0.43	0.02	0.184	0.011	0.088	0.624	0.865	0.2
Compound_400	O=CCC(c1cccc(c1)C(=C)C)C	0.828	0.377	0.368	0.482	0.034	0.137	0.625	0.797	0.729	0.993	0.778
Compound_401	Clc1cc(ccc1N)C1(c2ccc(c(c2)Cl)N)c2ccccc2c2c1cccc2	0.876	0.792	0.987	0.775	0.972	0.925	0.987	0.94	0.757	0.989	0.988
Compound_402	COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F	0.681	0.218	0.038	0.348	0.419	0.098	0.166	0.146	0.408	0.139	0.464
Compound_403	CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C	0.924	0.773	0.042	0.658	0.086	0.854	0.992	0.382	0.95	0.075	0.238
Compound_404	NCCCCCCN	0.123	0.035	0.057	0.386	0.015	0.035	0.001	0.004	0.456	0.103	0.259
Compound_405	Cc1ccccc1Cc1ccccc1Cc1cccc(c1O)O	0.735	0.464	0.708	0.619	0.975	0.329	0.755	0.985	0.585	0.956	0.415
Compound_406	COC(=O)CBr	0.836	0.055	0.318	0.664	0.508	0.089	0.973	0.993	0.607	0.711	0.936
Compound_407	CCOP(=O)(CC=C)OCC	0.872	0.147	0.512	0.653	0.625	0.248	0.999	0.982	0.117	0.999	0.748
Compound_408	Clc1ccc(c(c1)Cl)OS(=O)(=O)c1ccccc1	0.942	0.666	0.866	0.757	0.537	0.53	0.432	0.943	0.493	0.986	0.222
Compound_409	OCCCOCC(COCCCO)(C)C	0.794	0.079	0.087	0.533	0.091	0.175	0.328	0.308	0.163	0.57	0.424
Compound_410	Clc1ccc(c(c1)N)Oc1ccc(cc1Cl)Cl	0.866	0.723	0.959	0.728	0.369	0.524	0.974	0.958	0.885	0.997	0.995
Compound_411	OCC(c1ccccc1)(N(=O)=O)CO	0.228	0.349	0.332	0.492	0.02	0.658	0.561	0.563	0.476	0.007	0.527
Compound_412	CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC	0.986	0.078	0.234	0.807	0.82	0.729	1.0	0.994	0.972	1.0	0.943
Compound_413	Nc1ccc(cc1)S(=O)(=O)Nc1cccc2c1nc(C)cc2	0.325	0.249	0.751	0.32	0.415	0.387	0.072	0.909	0.296	0.073	0.163
Compound_414	FC(C(F)(F)F)C(C(C(F)(F)F)(F)F)F	0.941	0.065	0.836	0.636	0.254	0.043	0.974	0.346	0.201	1.0	0.9
Compound_415	CN1CCN(CC1)C1=c2ccccc2=Nc2c(N1O)cc(Cl)cc2	0.521	0.699	0.271	0.232	0.777	0.754	0.424	0.619	0.822	0.017	0.578
Compound_416	BrCCC1OCCO1	0.793	0.146	0.204	0.636	0.192	0.185	0.997	0.965	0.354	0.99	0.911
Compound_417	CC(CC(CCc1ccccc1)N)C	0.205	0.103	0.645	0.363	0.013	0.144	0.002	0.014	0.52	0.093	0.019
Compound_418	O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2)c(=O)c1c(c5=O)cccc1	0.607	0.719	0.976	0.518	0.911	0.691	0.997	0.47	0.802	0.288	1.0
Compound_419	OC1COCC1	0.704	0.237	0.025	0.44	0.073	0.183	0.188	0.058	0.376	0.268	0.092
Compound_420	CC(CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C)C	0.747	0.002	0.658	0.693	0.072	0.039	0.986	0.551	0.285	0.99	0.859
Compound_421	CCC1=C(C)CNC1=O	0.156	0.464	0.092	0.273	0.001	0.007	0.003	0.26	0.639	0.826	0.632
Compound_422	OC(=O)c1cccc(c1)c1nc2c([nH]1)cccc2	0.339	0.654	0.874	0.561	0.587	0.783	0.825	0.167	0.38	0.029	0.78
Compound_423	OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC	0.096	0.522	0.023	0.301	0.247	0.549	0.001	0.095	0.116	0.008	0.158
Compound_424	CCOP(=O)(Sc1ccccc1)Sc1ccccc1	0.642	0.615	0.975	0.661	0.445	0.312	0.999	0.304	0.546	0.988	0.82
Compound_425	CCOC(=O)C(Cl)C	0.857	0.067	0.647	0.703	0.159	0.015	1.0	0.987	0.581	0.921	0.94
Compound_426	OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1	0.733	0.482	0.118	0.299	0.728	0.653	0.831	0.263	0.328	0.097	0.339
Compound_427	NC(=NCCN1CCCCCCC1)N	0.212	0.214	0.069	0.127	0.028	0.291	0.001	0.041	0.511	0.348	0.487
Compound_428	Brc1cc(Br)c(c(c1)Br)Oc1cc(Br)c(cc1Br)Br	0.962	0.704	0.903	0.729	0.648	0.652	0.995	0.974	0.408	0.999	0.995
Compound_429	OC(=O)C#Cc1ccccc1	0.658	0.172	0.12	0.219	0.094	0.735	0.995	0.033	0.58	0.033	0.269
Compound_430	OCc1onc(c1)NS(=O)(=O)c1ccc(cc1)N	0.064	0.258	0.019	0.07	0.211	0.457	0.019	0.002	0.042	0.001	0.127
Compound_431	COc1cc(C=C(C(=O)C)C(=O)C)cc(c1OC)OC	0.874	0.475	0.879	0.642	0.392	0.27	0.933	0.728	0.874	0.683	0.969
Compound_432	OCCOc1ccc2c(c1)cccc2	0.444	0.541	0.902	0.647	0.686	0.403	0.99	0.576	0.399	0.724	0.674
Compound_433	CON=C(c1csc(n1)N)C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C	0.521	0.167	0.029	0.027	0.094	0.092	0.004	0.261	0.029	0.008	0.115
Compound_434	CCCCc1ccccc1	0.674	0.139	0.443	0.542	0.055	0.06	0.997	0.675	0.883	0.995	0.294
Compound_435	CCC(OOC(CC)(C)C)(C)C	0.836	0.033	0.044	0.507	0.095	0.043	0.933	0.662	0.689	0.97	0.855
Compound_436	CSSC	0.861	0.111	0.407	0.495	0.288	0.141	0.965	0.806	0.821	0.998	0.823
Compound_437	ClC(C(=O)O)Cl	0.724	0.033	0.047	0.438	0.093	0.098	0.846	0.998	0.648	0.481	0.928
Compound_438	CCCCCCCCCCCCN1CCCC1=O	0.882	0.423	0.294	0.524	0.031	0.261	0.995	0.092	0.723	0.944	0.546
Compound_439	N#CCN(C(C#N)C)CC#N	0.229	0.227	0.071	0.169	0.094	0.057	0.002	0.495	0.599	0.685	0.871
Compound_440	CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C	0.521	0.734	0.946	0.71	0.726	0.098	0.901	0.957	0.44	0.56	0.738
Compound_441	ClCCCOc1cc(ccc1OC)N(=O)=O	0.752	0.367	0.786	0.677	0.863	0.617	0.994	0.889	0.194	0.967	0.907
Compound_442	O=N(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2ON(=O)=O	0.796	0.428	0.344	0.436	0.101	0.275	0.703	0.739	0.423	0.977	0.087
Compound_443	CCCCCCCCCCCCCCCC(=O)NCCCCCCCCC=CCCCCCCCC	0.575	0.056	0.055	0.372	0.063	0.251	0.625	0.655	0.437	0.933	0.2
Compound_444	CC1=CCC2C(C1)C2(C)C	0.994	0.12	0.237	0.613	0.5	0.076	0.456	0.868	0.767	0.998	0.654
Compound_445	CCCC(=O)OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(C)C)C)C)C1	0.885	0.9	0.857	0.692	0.862	0.833	0.35	0.983	0.129	1.0	0.889
Compound_446	CN(CC(O)(C)C)CCC(c1ccccc1)c1ccccc1	0.052	0.357	0.045	0.127	0.081	0.304	0.005	0.002	0.153	0.001	0.032
Compound_447	O=C(c1ccccc1)NN(C(C)(C)C)C(=O)c1ccccc1	0.447	0.676	0.455	0.238	0.059	0.876	0.678	0.696	0.511	0.519	0.562
Compound_448	Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O	0.887	0.85	0.886	0.583	0.987	0.99	0.632	0.949	0.667	0.178	0.933
Compound_449	OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O	0.09	0.508	0.022	0.365	0.093	0.507	0.101	0.033	0.358	0.066	0.311
Compound_450	O=Cc1cc(Br)cc(c1N)Br	0.876	0.288	0.883	0.61	0.602	0.651	0.994	0.551	0.493	0.957	0.537
Compound_451	COc1cc2C[C@@H](c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C	0.101	0.793	0.141	0.261	0.373	0.649	0.167	0.041	0.387	0.217	0.356
Compound_452	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.72	0.669	0.029	0.182	0.189	0.564	0.021	0.113	0.079	0.022	0.527
Compound_453	Nc1cccc(c1)Cl	0.896	0.164	0.946	0.64	0.368	0.2	0.998	0.986	0.723	0.981	0.219
Compound_454	CCCCCCCCCCCCSCc1cc(CSCCCCCCCCCCCC)c(c(c1)C)O	0.628	0.337	0.116	0.625	0.7	0.954	0.46	0.411	0.511	0.992	0.827
Compound_455	CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N	0.323	0.453	0.004	0.217	0.322	0.608	0.003	0.027	0.47	0.015	0.082
Compound_456	CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[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)F	0.961	1.0	0.166	0.949	0.663	0.961	0.083	0.141	0.381	0.519	0.051
Compound_457	OC(=O)Cc1sc(nc1C)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N	0.288	0.197	0.183	0.287	0.433	0.417	0.003	0.265	0.025	0.242	0.148
Compound_458	ClC(c1ccccc1)Cl	0.925	0.16	0.849	0.679	0.173	0.626	0.995	0.975	0.711	0.999	0.332
Compound_459	CCN(CCNC(=O)c1ccc(cc1)N)CC	0.029	0.383	0.05	0.054	0.012	0.415	0.002	0.002	0.371	0.14	0.166
Compound_460	COC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.369	0.225	0.901	0.741	0.099	0.077	0.987	0.984	0.549	0.407	0.263
Compound_461	Clc1cc(c2ccccc2)c(c(c1Cl)Cl)Cl	0.989	0.389	0.991	0.81	0.806	0.76	0.991	0.747	0.98	0.995	0.816
Compound_462	NC(=O)N1c2ccccc2CCc2c1cccc2	0.309	0.524	0.164	0.227	0.737	0.431	0.987	0.01	0.429	0.256	0.067
Compound_463	CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2	0.901	0.822	0.027	0.601	0.892	0.83	0.051	0.742	0.252	0.986	0.601
Compound_464	O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	0.032	0.176	0.0	0.074	0.145	0.032	0.013	0.076	0.137	0.015	0.067
Compound_465	CCC1(C/C=C\2/CCCc3c2ccc(c3)OC)C(=O)CCC1=O	0.897	0.886	0.66	0.664	0.681	0.9	0.311	0.88	0.38	0.952	1.002
Compound_466	OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O	0.393	0.569	0.006	0.401	0.645	0.597	0.011	0.511	0.33	0.545	0.114
Compound_467	C=COCCOCCOC=C	0.719	0.192	0.211	0.462	0.301	0.271	0.993	0.551	0.776	0.997	0.883
Compound_468	CC/C(=C\CC1CC=C(C1(C)C)C)/CO	0.918	0.383	0.096	0.542	0.536	0.122	0.169	0.52	0.41	0.828	0.964
Compound_469	[NH3+]C1CC(C)(C)[NH2+]C(C1)(C)C	0.13	0.277	0.057	0.346	0.003	0.053	0.0	0.349	0.659	0.111	0.133
Compound_470	COc1cc(NS(=O)(=O)c2ccc(cc2)C)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.511	0.472	0.45	0.341	0.715	0.552	0.941	0.491	0.397	0.026	0.327
Compound_471	CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1	0.103	0.476	0.009	0.033	0.085	0.041	0.02	0.029	0.242	0.437	0.062
Compound_472	ClC(=O)Oc1ccccc1	0.924	0.148	0.833	0.732	0.205	0.061	0.722	0.797	0.891	0.968	0.46
Compound_473	ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl	0.929	0.418	0.433	0.584	0.635	0.536	0.998	0.991	0.612	0.999	0.882
Compound_474	OCC(N(=O)=O)(Br)Br	0.485	0.062	0.133	0.584	0.126	0.168	0.813	0.967	0.62	0.015	0.675
Compound_475	ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O	0.393	0.6	0.051	0.617	0.952	0.932	0.691	0.367	0.662	0.799	0.912
Compound_476	CNCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O	0.29	0.443	0.017	0.361	0.946	0.959	0.029	0.034	0.398	0.017	0.17
Compound_477	OCCN1CCOC1=O	0.02	0.208	0.093	0.61	0.027	0.038	0.045	0.106	0.109	0.014	0.135
Compound_478	CC(COCC(OC(C)(C)C)C)O	0.598	0.069	0.01	0.497	0.135	0.155	0.637	0.095	0.376	0.28	0.385
Compound_479	OCC(C(c1ccc(cc1)N(=O)=O)OC(=O)CN1CCOCC1)NC(=O)C(Cl)Cl	0.261	0.408	0.137	0.293	0.861	0.298	0.001	0.217	0.328	0.724	0.156
Compound_480	CC(CC(c1ccccc1N1CCCCC1)N)C	0.128	0.436	0.148	0.447	0.066	0.22	0.011	0.176	0.606	0.006	0.042
Compound_481	Clc1ccc(cc1)C(Cl)(Cl)Cl	0.919	0.173	0.744	0.698	0.48	0.799	0.991	0.965	0.107	0.997	0.158
Compound_482	NCc1ccc(cc1)C(=O)O	0.132	0.146	0.044	0.228	0.023	0.285	0.002	0.042	0.134	0.0	0.058
Compound_483	CC(C1CCC2C(=C1)CCC1C2(C)CCCC1(C)C(=O)O)C	0.938	0.528	0.33	0.359	0.868	0.386	0.931	0.721	0.086	0.989	0.142
Compound_484	CCCCCCCCCCCC(=O)N(CCCC)CCCC	0.889	0.126	0.294	0.524	0.013	0.625	0.985	0.092	0.313	0.957	0.538
Compound_485	CNC(=O)Oc1cccc2c1OC(O2)(C)C	0.419	0.426	0.28	0.352	0.385	0.116	0.173	0.976	0.66	0.207	0.266
Compound_486	Nc1nc(NC2CC2)nc(n1)N	0.171	0.378	0.542	0.409	0.044	0.098	0.0	0.069	0.721	0.266	0.334
Compound_487	Brc1cccc(c1)OC1CCCCO1	0.75	0.485	0.706	0.669	0.584	0.261	0.977	0.892	0.386	0.972	0.819
Compound_488	CN(CCC(c1ccccc1)c1ccc(cc1)C)C	0.28	0.401	0.005	0.089	0.064	0.499	0.036	0.015	0.337	0.014	0.023
Compound_489	OC(CNC(C)(C)C)COc1ccc(cc1)NC(=O)NC1CCCCC1	0.222	0.582	0.036	0.754	0.596	0.898	0.02	0.008	0.371	0.007	0.082
Compound_490	CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC	0.053	0.399	0.221	0.107	0.573	0.214	0.015	0.155	0.767	0.87	0.087
Compound_491	Cc1cc(oc(=O)c1)C1CCCCC1	0.906	0.543	0.06	0.511	0.407	0.345	0.952	0.559	0.785	0.972	0.521
Compound_492	Oc1cc(Cl)cc(c1)Cl	0.938	0.17	0.738	0.603	0.712	0.218	0.977	0.636	0.847	0.81	0.648
Compound_493	COc1ccc(cc1)C(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.967	0.747	0.792	0.735	0.993	1.0	0.924	0.01	0.664	0.143	0.961
Compound_494	OC[C@H]1O[C@@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)C([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c(O)cc(cc3[C@@H](NC2=O)C(=O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)N)O	0.763	0.842	0.358	0.188	0.771	0.688	0.041	0.272	0.395	0.417	0.087
Compound_495	OP1(=O)Oc2ccc3c(c2c2c(O1)ccc1c2cccc1)cccc3	0.915	0.658	0.938	0.483	0.948	0.407	0.712	0.472	0.677	0.973	0.61
Compound_496	OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C	0.185	0.575	0.008	0.352	0.959	0.96	0.742	0.764	0.38	0.062	0.201
Compound_497	CC(CC(Cl)(Cl)Cl)(Cl)Cl	0.947	0.112	0.582	0.656	0.266	0.653	0.998	0.643	0.111	0.998	0.831
Compound_498	Cc1ccc2c(c1)nc1c(n2)sc(=O)s1	0.391	0.657	0.593	0.518	0.371	0.506	0.824	0.664	0.499	0.243	0.718
Compound_499	BrC[C@H]1C[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.904	0.69	0.607	0.624	0.783	0.098	0.996	0.151	0.058	0.999	0.799
Compound_500	CCCCCCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)Nc1ccccc1)CC	0.278	0.719	0.504	0.531	0.873	0.662	0.998	0.946	0.526	0.141	0.877