Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCC(CCCCCC(CCCC(=O)O)C)CC	0.754	0.017	0.177	0.15	0.143	0.022	0.993	0.182	0.093	0.902	0.252
Compound_2	COc1cc(C)c(cc1CC(N)C)OC	0.174	0.083	0.627	0.56	0.024	0.098	0.002	0.077	0.579	0.08	0.13
Compound_3	CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C	0.981	1.0	0.335	0.874	0.622	0.783	0.201	0.993	0.056	0.955	0.087
Compound_4	OCC1(C)CC2(c3c1cc(O)c(c3)O)CC(c1c2cc(O)c(c1)O)(C)C	0.671	0.679	0.107	0.546	0.961	0.554	0.292	0.513	0.19	0.866	0.787
Compound_5	Fc1ccc(cn1)C(F)(F)F	0.634	0.257	0.456	0.662	0.201	0.139	0.894	0.672	0.313	0.801	0.174
Compound_6	CCCNC(=O)C1=CC(=Nc2ccc(cc2OCC)N(CC)CC)c2c(C1=O)cccc2	0.522	0.678	0.699	0.421	0.371	0.541	0.386	0.831	0.468	0.254	0.248
Compound_7	O=C1CCCCCCCCCCC(=O)OCCC1	0.817	0.143	0.282	0.7	0.111	0.176	0.99	0.659	0.42	0.919	0.8
Compound_8	ClC(=O)OC1CCC(CC1)C(C)(C)C	0.935	0.275	0.1	0.604	0.417	0.174	0.891	0.997	0.647	0.995	0.529
Compound_9	O[I](=O)(O)(O)(O)O	0.927	0.239	0.732	0.551	0.693	0.095	0.131	0.769	0.725	0.728	0.5
Compound_10	CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC	0.173	0.485	0.815	0.258	0.95	0.898	0.204	0.935	0.95	0.93	0.918
Compound_11	OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NNC(=O)N)CCCN=C(N)N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1[nH]cnc1	0.712	0.709	0.059	0.385	0.635	0.653	0.91	0.237	0.404	0.474	0.479
Compound_12	Cc1ccc(c(c1)C)c1nc(Cl)nc(n1)c1ccc(cc1C)C	0.462	0.625	0.958	0.779	0.813	0.884	0.965	0.95	0.85	0.448	0.05
Compound_13	CC(C(C(c1ccc(cc1)OCCOCC1OC1)C(C)C)C)C	0.326	0.407	0.875	0.657	0.827	0.862	0.905	0.847	0.575	0.983	0.516
Compound_14	CCOP(=S)(OC(=CCl)c1cc(Cl)ccc1Cl)OCC	0.875	0.825	0.956	0.792	0.796	0.429	0.962	0.982	0.524	0.999	0.463
Compound_15	CC[C@H]1C[C@@H](O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C)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)O[C@H]2C[C@@H](CC=C1C)O[C@]1(C2)C=C[C@@H]([C@H](O1)C(C)C)C	0.874	0.907	0.048	0.525	0.959	0.943	0.836	0.994	0.885	0.877	0.212
Compound_16	CC(COP(=S)(OCC(C)C)S)C	0.74	0.11	0.023	0.297	0.137	0.032	0.996	0.006	0.666	0.999	0.635
Compound_17	O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)Nc1ccccc1	0.219	0.356	0.328	0.333	0.792	0.824	0.052	0.384	0.414	0.051	0.223
Compound_18	Oc1cccc2c1c1ccccc1[nH]2	0.834	0.792	0.933	0.574	0.93	0.688	0.965	0.792	0.867	0.971	0.985
Compound_19	Clc1ccc(cc1Cl)C(F)(F)F	0.957	0.21	0.962	0.719	0.291	0.098	0.997	0.994	0.665	1.0	0.484
Compound_20	OC(c1ccccc1)(c1ccccc1)C1CCNCC1	0.007	0.35	0.029	0.198	0.081	0.288	0.011	0.039	0.125	0.004	0.114
Compound_21	ClC(=O)OCc1ccccc1	0.702	0.154	0.784	0.702	0.087	0.138	0.978	0.988	0.819	0.934	0.742
Compound_22	NNC(=O)CCCCC(=O)NN	0.076	0.08	0.65	0.424	0.058	0.196	0.095	0.188	0.413	0.026	0.409
Compound_23	CCC(=C)C	0.9	0.167	0.378	0.545	0.058	0.0	0.961	0.979	0.897	0.999	0.95
Compound_24	Brc1cc2c3c4c1c(O)c(O)cc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Br	0.944	0.592	0.976	0.559	0.67	0.668	0.865	0.991	0.473	0.974	0.997
Compound_25	Oc1ccc(cc1)C(=O)Oc1ccc(c(c1)C)OC(=O)c1ccc(cc1)O	0.635	0.662	0.712	0.744	0.996	0.957	0.942	0.147	0.735	0.504	0.701
Compound_26	C(Oc1ccccc1)COc1ccccc1	0.381	0.592	0.833	0.68	0.654	0.531	0.996	0.78	0.848	0.89	0.823
Compound_27	O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.672	0.915	0.042	0.113	0.806	0.814	0.021	0.819	0.047	0.992	0.087
Compound_28	O=C(C(F)(F)F)c1cc(Cl)cc(c1)Cl	0.947	0.126	0.819	0.767	0.526	0.478	0.999	0.962	0.479	0.997	0.742
Compound_29	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_30	OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(F)nc2N	0.654	0.724	0.096	0.577	0.093	0.098	0.007	0.987	0.337	0.177	0.902
Compound_31	CC(N(Cc1c(C(C)C)c(=O)n(n1C)c1ccccc1)C)Cc1ccccc1	0.053	0.697	0.002	0.162	0.203	0.75	0.023	0.034	0.403	0.39	0.145
Compound_32	CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.901	0.599	0.92	0.69	0.987	0.564	0.978	0.823	0.625	0.589	0.704
Compound_33	COc1c(Br)cc(cc1Br)Br	0.949	0.161	0.819	0.722	0.659	0.712	0.998	0.132	0.385	0.992	0.856
Compound_34	CCCCCCCCCCCCCCCCCCN(CCCN(CCO)CCO)CCO	0.514	0.11	0.145	0.128	0.052	0.651	0.348	0.337	0.95	0.046	0.222
Compound_35	NCC(F)F	0.217	0.073	0.058	0.464	0.072	0.014	0.053	0.021	0.594	0.596	0.5
Compound_36	C1CCCCC1	0.949	0.107	0.313	0.516	0.067	0.053	0.984	0.863	0.864	1.0	0.511
Compound_37	O=C1CCC(CC1)NC(=O)C	0.059	0.271	0.1	0.299	0.01	0.058	0.003	0.013	0.411	0.543	0.058
Compound_38	CCc1cc2cc(OC)c(cc2c(n1)Cc1ccccc1)OC	0.187	0.707	0.952	0.465	0.657	0.944	0.665	0.828	0.58	0.707	0.975
Compound_39	OCc1ccco1	0.341	0.06	0.098	0.452	0.032	0.117	0.797	0.854	0.344	0.048	0.718
Compound_40	CCCCOC(=O)C(=C)C#N	0.976	0.143	0.127	0.723	0.753	0.118	0.997	0.988	0.589	0.804	0.95
Compound_41	COc1ccc(c(c1)O)C(=O)c1ccc(cc1)Cl	0.892	0.648	0.96	0.798	0.977	0.933	0.904	0.049	0.434	0.526	0.958
Compound_42	CCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO	0.093	0.356	0.275	0.549	0.019	0.774	0.471	0.125	0.922	0.006	0.141
Compound_43	CCCCOC(=O)C1C(C(=O)OCCCC)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.839	0.526	0.43	0.768	0.861	0.378	0.932	0.967	0.455	0.993	0.689
Compound_44	CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=O)N)C	0.071	0.515	0.004	0.095	0.033	0.279	0.001	0.011	0.311	0.008	0.061
Compound_45	CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C	0.09	0.438	0.04	0.199	0.295	0.508	0.002	0.954	0.351	0.324	0.475
Compound_46	Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)n1c2nc2c3c1cccc3ccc2	0.847	0.7	0.946	0.604	0.762	0.769	0.856	0.983	0.448	0.762	0.389
Compound_47	c1ccc(cc1)CN1CC2C(C1)CCCN2	0.078	0.303	0.021	0.145	0.002	0.124	0.0	0.211	0.627	0.006	0.021
Compound_48	CC1=CC(=O)[C@@H]2[C@H](C1)C2(C)C	0.99	0.291	0.55	0.707	0.284	0.091	0.125	0.883	0.413	0.998	0.721
Compound_49	COCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)OC)C	0.566	0.294	0.598	0.616	0.037	0.022	0.344	0.139	0.334	0.026	0.159
Compound_50	OC[C@@H]1C[NH+](C)CC[C@H]1c1ccc(cc1)F	0.033	0.258	0.057	0.485	0.003	0.014	0.0	0.066	0.421	0.004	0.063
Compound_51	C1CCn2c(CC1)nnn2	0.276	0.449	0.043	0.328	0.144	0.499	0.002	0.861	0.828	0.282	0.344
Compound_52	COC(=O)CCCCCCCCCCCCCCC(C)C	0.912	0.009	0.702	0.562	0.064	0.022	0.998	0.83	0.143	0.97	0.725
Compound_53	CC(=O)C=Cc1ccccc1	0.938	0.21	0.874	0.753	0.043	0.098	0.795	0.592	0.976	0.999	0.5
Compound_54	COc1ccccc1N1CCN(CC1)CCCC(=O)c1ccc(cc1)F	0.094	0.64	0.49	0.042	0.313	0.361	0.004	0.231	0.377	0.095	0.233
Compound_55	CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C	0.953	1.0	0.529	0.933	0.845	0.863	0.812	1.0	0.058	0.929	0.158
Compound_56	OS(=O)(=O)CCCN1CCOCC1	0.037	0.317	0.014	0.067	0.065	0.194	0.049	0.056	0.352	0.671	0.438
Compound_57	CCCCCCCCC=CCCCCCCCCN	0.611	0.033	0.055	0.458	0.154	0.275	0.473	0.036	0.835	0.942	0.252
Compound_58	N#CCCC(C#N)(CBr)Br	0.919	0.201	0.152	0.664	0.351	0.161	0.975	0.925	0.658	0.972	0.969
Compound_59	ClP(=O)(Cl)Cl	0.919	0.24	0.407	0.636	0.672	0.067	0.892	0.999	0.956	1.0	0.741
Compound_60	CCCCCC(c1ccccc1O)CC	0.75	0.293	0.242	0.633	0.282	0.229	0.159	0.931	0.639	0.988	0.846
Compound_61	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.699	0.813	0.986	0.75	0.984	0.903	0.998	0.994	0.695	0.691	0.982
Compound_62	CC(C1(CC(=C)Br)C(=O)NC(=O)NC1=O)C	0.274	0.426	0.138	0.417	0.302	0.069	0.007	0.972	0.265	0.193	0.366
Compound_63	CC(=O)C(C=CC1CC=C(C1(C)C)C)C	0.873	0.328	0.523	0.643	0.45	0.039	0.074	0.964	0.66	0.999	0.984
Compound_64	OCC#C	0.82	0.2	0.092	0.399	0.058	0.144	0.885	0.705	0.482	0.537	0.764
Compound_65	CC(=O)OC1(C)CCC(C1C)C(=C)C	0.919	0.427	0.093	0.536	0.584	0.069	0.558	0.992	0.606	0.995	0.855
Compound_66	Clc1ccc(c(c1Cl)O)Cl	0.945	0.149	0.807	0.691	0.788	0.79	0.985	0.979	0.931	0.994	0.918
Compound_67	CC(C(c1cccc(c1)Cl)O)NC(C)(C)C	0.005	0.178	0.073	0.263	0.015	0.039	0.0	0.019	0.136	0.328	0.463
Compound_68	CCOC(=O)C(c1ccccc1)C1CCCCN1	0.059	0.344	0.054	0.348	0.006	0.01	0.0	0.006	0.073	0.03	0.036
Compound_69	CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2	0.28	0.703	0.209	0.263	0.722	0.56	0.16	0.21	0.256	0.035	0.319
Compound_70	Brc1ccccc1	0.99	0.152	0.84	0.59	0.199	0.175	0.999	0.622	0.982	0.998	0.236
Compound_71	CCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_72	O=C1CC2C(C1(C)CC2)(C)C	0.976	0.602	0.09	0.399	0.207	0.109	0.034	0.211	0.141	0.998	0.64
Compound_73	N#Cc1ccc(cc1C(F)(F)F)N	0.921	0.435	0.812	0.627	0.807	0.18	0.971	0.951	0.465	0.905	0.898
Compound_74	Brc1ccc(cc1)c1ccccc1	0.996	0.472	0.912	0.794	0.19	0.599	0.997	0.087	0.761	0.992	0.746
Compound_75	O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Oc1ccc(cc1C1C(=O)Oc2c1cc(cc2)C(C)(C)C)C(C)(C)C	0.529	0.58	0.13	0.509	0.998	0.994	0.993	0.347	0.591	0.658	0.931
Compound_76	CCOC(=O)C(=CN)C#N	0.646	0.182	0.258	0.63	0.538	0.048	0.003	0.371	0.535	0.367	0.897
Compound_77	ON=Cc1ccc(c(c1)OC)O	0.495	0.221	0.758	0.665	0.292	0.203	0.095	0.046	0.731	0.858	0.739
Compound_78	Cc1ccc(cc1C)S(=O)(=O)O	0.678	0.334	0.751	0.314	0.807	0.413	0.955	0.066	0.437	0.86	0.029
Compound_79	COC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C	0.175	0.414	0.533	0.427	0.097	0.138	0.012	0.529	0.408	0.315	0.198
Compound_80	COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C	0.557	0.526	0.956	0.601	0.28	0.167	0.043	0.024	0.501	0.511	0.312
Compound_81	OC(=O)CNc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N	0.333	0.314	0.089	0.201	0.555	0.149	0.034	0.005	0.113	0.006	0.146
Compound_82	Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.94	0.811	0.947	0.796	0.85	0.918	0.95	0.992	0.665	0.212	0.991
Compound_83	BrCc1ccc(cc1)c1ccccc1C#N	0.955	0.524	0.946	0.847	0.671	0.449	0.982	0.867	0.661	0.919	0.971
Compound_84	O=S1(=O)OCOS(=O)(=O)C1	0.528	0.492	0.301	0.501	0.123	0.236	0.571	0.943	0.21	0.859	0.32
Compound_85	OCCNC(=O)c1c(I)c(N)c(c(c1I)C(=O)O)I	0.041	0.585	0.035	0.248	0.073	0.234	0.002	0.03	0.282	0.004	0.295
Compound_86	NC(=O)NCCNc1ccc(cc1)N(=O)=O	0.399	0.242	0.299	0.263	0.098	0.731	0.003	0.187	0.175	0.032	0.179
Compound_87	CC1CN1	0.054	0.132	0.027	0.274	0.398	0.32	0.002	0.006	0.668	0.334	0.542
Compound_88	Oc1ccc2c(c1)ccc(c2)B(O)O	0.916	0.679	0.728	0.605	0.913	0.683	0.999	0.575	0.765	0.995	0.73
Compound_89	CC(c1c(Br)cc(cc1Br)O)(c1c(Br)cc(cc1Br)O)C	0.985	0.512	0.698	0.631	0.554	0.638	0.994	0.845	0.663	0.996	0.989
Compound_90	CC(CC(CC(=O)O)CC(=O)N)C	0.011	0.018	0.016	0.109	0.013	0.033	0.06	0.025	0.21	0.002	0.026
Compound_91	C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2	0.659	0.337	0.804	0.544	0.626	0.735	0.322	0.945	0.82	0.981	0.253
Compound_92	CC(=C)C#N	0.936	0.344	0.329	0.541	0.283	0.007	0.939	0.991	0.786	0.994	0.966
Compound_93	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)O)C)O)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.139	0.744	0.017	0.253	0.485	0.885	0.001	0.676	0.299	0.462	0.824
Compound_94	COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C	0.37	0.664	0.302	0.546	0.774	0.953	0.993	0.817	0.459	0.44	0.526
Compound_95	C[N+](CCCCCC[N+](C)(C)C)(C)C	0.719	0.659	0.054	0.616	0.026	0.155	0.017	0.1	0.143	0.009	0.221
Compound_96	CNCCc1ccc(c(c1)OC)OC	0.033	0.232	0.177	0.336	0.009	0.137	0.001	0.009	0.172	0.003	0.016
Compound_97	CCOC(=O)C=C(NC(c1ccccc1)C(=O)O)C	0.075	0.354	0.779	0.382	0.082	0.122	0.018	0.385	0.166	0.152	0.574
Compound_98	OCCc1cccs1	0.256	0.333	0.754	0.392	0.129	0.643	0.979	0.75	0.504	0.115	0.37
Compound_99	CCn1c2cc3oc4c(nc3cc2c2c1cccc2)c(Cl)c1c(c4Cl)nc2c(o1)cc1c(c2)c2ccccc2n1CC	0.761	0.616	0.939	0.617	0.72	0.654	0.985	0.618	0.52	0.953	0.845
Compound_100	OC(=O)c1cnc(c(c1)Cl)Cl	0.147	0.254	0.909	0.46	0.083	0.081	0.248	0.628	0.842	0.214	0.312
Compound_101	OCC(N(=O)=O)(CO)Br	0.426	0.128	0.099	0.598	0.196	0.098	0.105	0.967	0.568	0.049	0.611
Compound_102	OCC1(CO)CC1	0.701	0.197	0.105	0.475	0.094	0.072	0.383	0.387	0.391	0.348	0.692
Compound_103	CN(CC(N1c2ccccc2Sc2c1cccc2)C)C	0.073	0.579	0.02	0.1	0.908	0.096	0.019	0.038	0.032	0.027	0.246
Compound_104	CCOC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)CC	0.952	1.0	0.31	0.987	0.667	0.952	0.078	0.503	0.357	0.897	0.463
Compound_105	Nc1[nH]c(N)nc(=O)n1	0.419	0.202	0.214	0.454	0.31	0.037	0.001	0.02	0.611	0.018	0.439
Compound_106	CN(C(=S)S)C	0.422	0.06	0.011	0.253	0.161	0.898	0.306	0.02	0.982	0.999	0.653
Compound_107	N#Cc1ccc(cc1Cl)c1ccnn1C1CCCCO1	0.741	0.684	0.835	0.767	0.681	0.442	0.021	0.863	0.583	0.054	0.747
Compound_108	OCC1N=C(N)N2C3(C1NC(=N3)N)C(O)(O)CC2	0.125	0.483	0.126	0.351	0.043	0.207	0.001	0.052	0.04	0.001	0.187
Compound_109	N#CN=C(N)N	0.435	0.198	0.274	0.444	0.384	0.028	0.002	0.426	0.796	0.307	0.306
Compound_110	OC(=O)[C@H]1OC(NC(=O)N2c3ccccc3C=Cc3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.544	0.554	0.035	0.388	0.628	0.403	0.026	0.063	0.265	0.151	0.398
Compound_111	OC1CCCC2C1C(C)(C)C(C2(C)C)C	0.928	0.591	0.032	0.541	0.312	0.187	0.238	0.613	0.33	0.746	0.327
Compound_112	OCCOCCN(CC)CC	0.045	0.101	0.036	0.105	0.065	0.052	0.007	0.398	0.03	0.206	0.173
Compound_113	CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC	0.37	0.075	0.055	0.36	0.08	0.223	0.142	0.655	0.363	0.477	0.278
Compound_114	COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C	0.295	0.599	0.998	0.515	0.411	0.699	0.203	0.278	0.438	0.293	0.24
Compound_115	OC(=O)CCCCCC(=O)O	0.476	0.021	0.167	0.12	0.043	0.01	0.175	0.036	0.042	0.16	0.087
Compound_116	CCOC(=O)c1cn(nc1C(F)F)C	0.408	0.468	0.761	0.554	0.41	0.164	0.555	0.807	0.608	0.094	0.846
Compound_117	OCC(CCCC1CCCCC1)C	0.928	0.076	0.076	0.541	0.083	0.061	0.931	0.123	0.411	0.087	0.131
Compound_118	CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)c1csc(n1)N	0.442	0.34	0.024	0.101	0.237	0.358	0.004	0.321	0.04	0.023	0.295
Compound_119	OP(=O)(CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)O	0.439	0.122	0.002	0.086	0.303	0.229	0.909	0.006	0.552	0.06	0.314
Compound_120	COc1ccc(c(c1)Cl)OC	0.909	0.179	0.822	0.736	0.525	0.409	0.915	0.069	0.687	0.965	0.641
Compound_121	O=C(Nc1cc(F)cc(c1)F)NN=C(c1ncccc1C(=O)O)C	0.337	0.599	0.918	0.605	0.312	0.401	0.694	0.222	0.413	0.027	0.228
Compound_122	CCN(C(C(C)C)C)C(=O)SCc1ccccc1	0.164	0.322	0.329	0.55	0.048	0.158	0.232	0.905	0.135	0.99	0.185
Compound_123	ClCOC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)OC(=O)OCC	0.876	1.0	0.686	0.983	0.894	0.906	0.921	0.978	0.27	0.933	0.563
Compound_124	OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C(F)(F)F)N	0.058	0.368	0.019	0.295	0.175	0.018	0.014	0.167	0.403	0.003	0.188
Compound_125	CCCCCC(=O)O	0.428	0.012	0.188	0.131	0.032	0.004	0.921	0.13	0.096	0.28	0.121
Compound_126	N#CC(C(F)(F)F)(C(F)(F)F)F	0.934	0.171	0.273	0.658	0.541	0.069	0.951	0.956	0.687	0.992	0.955
Compound_127	O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F	0.505	0.782	0.976	0.821	0.522	0.627	0.043	0.935	0.95	0.041	0.733
Compound_128	CCOC(=O)C(=Cc1ccc(cc1)OCC#C)C(=O)OCC	0.894	0.472	0.897	0.709	0.535	0.752	0.983	0.984	0.505	0.981	0.446
Compound_129	N#Cc1nc(c([nH]1)Cl)c1ccc(cc1)C	0.554	0.6	0.974	0.577	0.573	0.803	0.832	0.238	0.574	0.037	0.48
Compound_130	Nn1c(NN)n[nH]c1=S	0.37	0.373	0.705	0.494	0.262	0.266	0.004	0.007	0.836	0.709	0.546
Compound_131	CCOC(C=Cc1ccccc1)OCC	0.899	0.208	0.93	0.739	0.067	0.651	0.992	0.872	0.608	0.998	0.635
Compound_132	CC(=O)OCC1OC(c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.82	0.638	0.98	0.75	0.741	0.764	0.987	0.865	0.611	0.02	0.882
Compound_133	CC(CCCCCc1ccccc1O)C	0.742	0.225	0.906	0.582	0.296	0.335	0.409	0.736	0.233	0.873	0.287
Compound_134	SCCS(=O)(=O)O	0.406	0.084	0.024	0.207	0.173	0.209	0.559	0.353	0.42	0.317	0.223
Compound_135	O=C1NC(=O)NC1=Cc1ccccc1	0.376	0.325	0.489	0.371	0.275	0.256	0.223	0.07	0.545	0.248	0.7
Compound_136	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCCl	0.927	0.309	0.18	0.68	0.927	0.098	0.998	0.981	0.733	0.593	0.869
Compound_137	COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(cc1Cl)F	0.455	0.5	0.278	0.659	0.625	0.651	0.652	0.942	0.42	0.047	0.277
Compound_138	Oc1c(Br)cc(c(c1Br)Br)Br	0.949	0.134	0.633	0.74	0.648	0.652	0.995	0.996	0.345	0.996	0.929
Compound_139	CCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.887	0.816	0.841	0.67	0.353	0.924	0.829	0.958	0.95	0.885	0.99
Compound_140	O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	0.955	1.0	0.011	0.866	0.86	0.969	0.022	0.94	0.081	0.974	0.087
Compound_141	Oc1cccc2c1OC(C2)(C)C	0.472	0.359	0.173	0.687	0.486	0.02	0.475	0.283	0.488	0.855	0.277
Compound_142	CCCCCC(=O)OC(=O)CCCCC	0.64	0.013	0.291	0.604	0.059	0.014	0.973	0.928	0.154	0.962	0.867
Compound_143	CCSCCOP(=S)(OCC)OCC	0.632	0.039	0.864	0.534	0.319	0.063	0.983	0.087	0.232	0.997	0.664
Compound_144	Clc1c(Cl)ccc(c1Cl)Cl	0.972	0.088	0.962	0.591	0.291	0.742	0.998	0.951	0.963	0.999	0.279
Compound_145	COc1ccc(c(c1)N(=O)=O)OC	0.903	0.225	0.81	0.686	0.694	0.559	0.999	0.905	0.64	0.982	0.932
Compound_146	CNC(=O)Oc1cc(C)cc(c1)C(C)C	0.226	0.373	0.58	0.431	0.104	0.067	0.05	0.944	0.596	0.06	0.046
Compound_147	CCCNC(Cc1ccc2c(c1)OCO2)C	0.064	0.439	0.72	0.241	0.009	0.309	0.004	0.057	0.211	0.799	0.444
Compound_148	COc1cc(CCC(=O)CC(=O)CCc2ccc(c(c2)OC)O)ccc1O	0.904	0.659	0.396	0.66	0.792	0.549	0.801	0.407	0.551	0.564	0.931
Compound_149	c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2	0.988	0.725	0.98	0.808	0.905	0.898	0.993	0.992	0.973	0.999	0.935
Compound_150	Clc1ccc(cc1)C(=O)Cl	0.929	0.138	0.742	0.698	0.161	0.15	0.998	0.987	0.56	0.997	0.523
Compound_151	O=C1OC(=O)C2(C1=CCCC2)C	0.927	0.538	0.497	0.6	0.441	0.358	0.99	0.998	0.841	0.886	0.273
Compound_152	CC(=O)OC1CC(OC1COC(=O)C)n1cc(C)c(=O)[nH]c1=O	0.562	0.381	0.04	0.471	0.136	0.04	0.05	0.03	0.627	0.641	0.958
Compound_153	Oc1ccc2c(c1)ccc1c2CC[C@]2([C@H]1CC[C@H]2O)C	0.904	0.974	0.081	0.51	0.989	0.995	0.094	0.385	0.428	0.998	0.954
Compound_154	CC(Oc1cccc(c1)NC(=O)c1ccccc1C)C	0.656	0.617	0.987	0.79	0.598	0.273	0.984	0.557	0.359	0.753	0.568
Compound_155	CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@@]2(O)C#C)CCC1=CCCC[C@H]31	0.963	0.98	0.098	0.382	0.926	0.833	0.026	0.988	0.648	0.999	0.707
Compound_156	N#CCc1ccc(cc1F)Cl	0.913	0.148	0.662	0.698	0.671	0.259	0.997	0.912	0.918	0.964	0.858
Compound_157	OP(=O)(OCC(COP(=O)(O)O)(CSCCC(C(F)(F)F)(F)F)CSCCC(C(F)(F)F)(F)F)O	0.657	0.144	0.088	0.46	0.794	0.43	0.826	0.086	0.179	0.821	0.471
Compound_158	O=C1C=C2C(=CC3C(C2([C@@H]2[C@H]1C2)C)CCC1(C3CC[C@]1(O)C(=O)C)C)Cl	0.96	1.0	0.126	0.872	0.928	0.9	0.579	0.867	0.134	0.338	0.137
Compound_159	CC(c1ccc(cc1)O)(c1ccc(cc1)O)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.979	0.737	0.502	0.598	1.0	0.995	0.927	0.935	0.658	0.678	0.736
Compound_160	Nc1nc(=S)c2c([nH]1)nc[nH]2	0.13	0.615	0.436	0.386	0.179	0.868	0.001	0.203	0.41	0.439	0.81
Compound_161	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC	0.934	0.612	0.411	0.772	0.905	0.983	0.892	0.026	0.181	0.716	0.975
Compound_162	O=c1[nH]c(=O)[nH]c(c1)C(=O)O	0.19	0.311	0.017	0.239	0.215	0.095	0.097	0.089	0.331	0.09	0.693
Compound_163	Cc1ccc(c(c1)O)C(C)(C)C	0.74	0.051	0.915	0.593	0.448	0.499	0.04	0.985	0.206	0.988	0.5
Compound_164	OCc1nc(ccc1O)C(CNC(C)(C)C)O	0.053	0.428	0.001	0.07	0.161	0.355	-0.0	0.019	0.279	0.01	0.037
Compound_165	CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O	0.053	0.252	0.013	0.124	0.104	0.017	0.003	0.015	0.298	0.006	0.026
Compound_166	COC1OC(C2C1OC(O2)(C)C)COS(=O)(=O)c1ccc(cc1)C	0.698	0.471	0.75	0.541	0.633	0.356	0.964	0.5	0.386	0.329	0.305
Compound_167	CCCCCCCCCCCC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)CCCCCCCCCCC	0.575	0.766	0.584	0.68	0.877	0.842	0.998	0.612	0.377	0.525	0.994
Compound_168	CCNCCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2	0.616	0.657	0.29	0.337	0.5	0.652	0.089	0.085	0.309	0.225	0.459
Compound_169	CC(NC(=O)c1ccccc1O)C	0.14	0.383	0.638	0.486	0.012	0.268	0.054	0.259	0.057	0.058	0.057
Compound_170	CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O	0.567	0.756	0.226	0.541	0.949	0.966	0.963	0.874	0.211	0.956	0.918
Compound_171	N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1	0.06	0.519	0.562	0.162	0.882	0.286	0.005	0.026	0.409	0.191	0.918
Compound_172	CCCCC(C(c1ccc(cc1)O)c1ccc(cc1)O)CC	0.963	0.617	0.337	0.599	0.949	0.966	0.963	0.887	0.518	0.988	0.944
Compound_173	Cn1sccc1=O	0.434	0.813	0.166	0.408	0.064	0.12	0.577	0.009	0.623	0.993	0.711
Compound_174	Clc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C	0.165	0.291	0.096	0.377	0.192	0.71	0.002	0.052	0.655	0.016	0.117
Compound_175	CC(Nc1ccc(cc1)NC(CCC(C)C)C)CCC(C)C	0.576	0.216	0.968	0.358	0.098	0.811	0.128	0.848	0.447	0.31	0.207
Compound_176	CCOC(=O)c1sc(=C2C=CC(=O)C(=C2)C=O)[nH]c1C	0.505	0.539	0.827	0.672	0.387	0.898	0.897	0.818	0.593	0.178	0.865
Compound_177	CSC(=O)SC	0.836	0.132	0.407	0.51	0.5	0.345	0.959	0.939	0.389	0.981	0.808
Compound_178	BrC1CCC=CC=CCC(C(CC1)Br)Br	0.986	0.221	0.534	0.699	0.552	0.179	0.998	0.961	0.895	1.0	0.536
Compound_179	O=C1OC(=O)c2c1cc(cc2)S(=O)(=O)c1ccc2c(c1)C(=O)OC2=O	0.669	0.458	0.948	0.589	0.539	0.546	0.88	0.025	0.499	0.351	0.315
Compound_180	OC(=O)CN(C(C(=O)O)C)CC(=O)O	0.023	0.084	0.011	0.114	0.061	0.002	0.003	0.517	0.208	0.011	0.206
Compound_181	FC(=O)c1cccc(c1)C(F)(F)F	0.951	0.134	0.925	0.69	0.247	0.233	0.98	0.98	0.655	0.994	0.771
Compound_182	CCC(=O)C	0.873	0.086	0.293	0.505	0.02	0.006	0.976	0.332	0.341	0.986	0.859
Compound_183	O=C(Nc1ccccc1)CC(=O)C	0.737	0.264	0.949	0.609	0.094	0.196	0.768	0.38	0.489	0.432	0.201
Compound_184	COP(=O)(OC)OC	0.93	0.09	0.706	0.596	0.223	0.065	0.892	0.909	0.573	0.958	0.677
Compound_185	CCCCCCOC(=O)CCC(=O)CN	0.13	0.074	0.045	0.58	0.036	0.058	0.003	0.007	0.625	0.306	0.094
Compound_186	OC(=O)Cc1cc(c(n1C)C(=O)c1ccc(cc1)Cl)C	0.214	0.576	0.037	0.308	0.547	0.101	0.537	0.02	0.273	0.006	0.412
Compound_187	Clc1ccc(cc1)c1ccccc1N(=O)=O	0.997	0.509	0.89	0.799	0.86	0.84	0.999	0.52	0.651	0.997	0.947
Compound_188	OCCS(=O)(=O)c1cccc(c1)N	0.265	0.198	0.366	0.458	0.236	0.574	0.669	0.028	0.293	0.0	0.146
Compound_189	CC(=C)C(=O)N	0.396	0.177	0.04	0.299	0.02	0.0	0.729	0.128	0.654	0.929	0.835
Compound_190	CC[C@H]1C[C@H](O[C@H]2[C@@H](C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	0.874	0.937	0.048	0.544	0.959	0.943	0.836	0.994	0.947	0.872	0.087
Compound_191	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1C[C@@H]3O)ccc1c2OCO1	0.412	0.653	0.499	0.217	0.358	0.455	0.018	0.162	0.192	0.622	0.561
Compound_192	CCCCCCOC(=O)C	0.84	0.003	0.182	0.706	0.106	0.063	0.995	0.861	0.865	0.998	0.912
Compound_193	CC(CC(C)(C)C)CC(C)(C)C	0.969	0.057	0.18	0.397	0.135	0.039	0.979	0.434	0.792	0.996	0.646
Compound_194	CCC(C(=O)NC(=O)N)(CC)Br	0.11	0.079	0.015	0.276	0.599	0.19	0.121	0.613	0.663	0.14	0.265
Compound_195	N#Cc1c(C)c(N=Nc2ccc(cc2)N=Nc2ccccc2)c(n(c1=O)CCCOC(C)C)O	0.541	0.544	0.653	0.586	0.906	0.808	0.114	0.903	0.616	0.054	0.224
Compound_196	Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C	0.664	0.744	0.981	0.819	0.265	0.736	0.052	0.839	0.616	0.158	0.128
Compound_197	N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl	0.518	0.517	0.064	0.46	0.561	0.305	0.872	0.483	0.396	0.615	0.682
Compound_198	CC=C(C(=O)C)C	0.924	0.146	0.816	0.625	0.056	0.004	0.587	0.979	0.919	1.0	0.985
Compound_199	CCCCCC=CCC=CCCCCCCCC(=O)OCC	0.945	0.009	0.721	0.709	0.438	0.112	0.999	0.972	0.058	1.0	0.942
Compound_200	O=C([C@H](S(=O)(=O)[O-])c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N	0.184	0.338	0.003	0.047	0.385	0.374	0.017	0.075	0.058	0.19	0.549
Compound_201	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.348	0.545	0.877	0.844	0.07	0.637	0.031	0.025	0.34	0.492	0.459
Compound_202	OC(=O)C(c1cccc(c1)Oc1ccccc1)C	0.105	0.696	0.024	0.29	0.81	0.113	0.988	0.017	0.057	0.22	0.288
Compound_203	OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)N=C(N)N)C(=O)O)O)O	0.291	0.335	0.036	0.246	0.035	0.188	0.007	0.017	0.263	0.041	0.087
Compound_204	CCOC(=O)C(Br)(C)C	0.74	0.024	0.598	0.7	0.612	0.12	0.993	0.933	0.433	0.963	0.911
Compound_205	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1OC(=O)c1cccnc1)C	0.737	0.735	0.198	0.245	0.203	0.656	0.632	0.144	0.103	0.011	0.612
Compound_206	CC(CCCC(CCCC(C)C)C)CCCCC(CC=CC(CCCC(C)C)C)C	0.999	0.059	0.808	0.553	0.456	0.12	0.998	0.599	0.402	0.997	0.829
Compound_207	OCC=Cc1ccccc1	0.801	0.134	0.355	0.646	0.073	0.302	0.975	0.739	0.683	0.242	0.577
Compound_208	Cc1nc(Cl)c(c(n1)Cl)N	0.365	0.356	0.899	0.506	0.273	0.271	0.248	0.86	0.934	0.723	0.001
Compound_209	Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)O	0.142	0.775	0.429	0.602	0.887	0.963	0.453	0.651	0.61	0.332	0.954
Compound_210	O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2	0.389	0.449	0.419	0.242	0.327	0.723	0.862	0.302	0.598	0.787	0.235
Compound_211	Brc1ccc2c(c1)c1cc(Cl)c(c(c1o2)Cl)Cl	0.736	0.528	0.987	0.573	0.694	0.656	0.923	0.928	0.534	1.0	0.991
Compound_212	OC1CC2CCC3C(C2(CC1N1CCOCC1)C)CCC1(C3CC(C1O)N1CCCC1)C	0.325	0.729	0.029	0.204	0.551	0.582	0.002	0.065	0.164	0.027	0.628
Compound_213	O[C@@H]([C@@H]1CCc2c(O1)ccc(c2)F)CNCc1ccccc1	0.124	0.405	0.526	0.32	0.233	0.264	0.125	0.039	0.406	0.544	0.107
Compound_214	OC(c1ccc(c(c1)O)O)CNCCCCCCNCC(c1ccc(c(c1)O)O)O	0.034	0.466	0.006	0.13	0.21	0.048	0.003	0.069	0.212	0.306	0.055
Compound_215	O=C1C=CC2(C(=C1)[C@@H](F)CC1[C@]2(Cl)C(O)CC2(C1C[C@H](C2C(=O)COC(=O)C(C)(C)C)C)C)C	0.962	1.0	0.105	0.995	0.773	0.921	0.47	0.064	0.343	0.281	0.043
Compound_216	OC(c1ccccc1)C(=O)C	0.17	0.124	0.194	0.369	0.014	0.079	0.811	0.017	0.145	0.216	0.164
Compound_217	CCC(C1(CC)C(=O)NC(=S)NC1=O)C	0.19	0.351	0.069	0.205	0.033	0.264	0.003	0.043	0.412	0.842	0.333
Compound_218	Cc1ccc(cc1)Cl	0.91	0.14	0.756	0.624	0.112	0.118	0.997	0.79	0.73	0.996	0.044
Compound_219	NCCN	0.169	0.073	0.058	0.379	0.019	0.008	0.0	0.004	0.38	0.108	0.402
Compound_220	CC1=CCCC(C1C=C(C(=O)C)C)(C)C	0.97	0.202	0.815	0.616	0.256	0.049	0.173	0.872	0.907	0.998	0.759
Compound_221	O[C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O	0.555	0.567	0.008	0.322	0.798	0.211	0.029	0.044	0.074	0.849	0.31
Compound_222	O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@@H]2NCC3)ccc1O	0.639	0.28	0.019	0.32	0.156	0.108	0.017	0.293	0.058	0.002	0.394
Compound_223	CC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	0.984	0.325	0.95	0.48	0.857	0.941	0.994	0.997	0.973	0.995	0.595
Compound_224	O=C1OCC[C@@H]1N	0.044	0.269	0.044	0.436	0.034	0.015	0.021	0.015	0.345	0.0	0.135
Compound_225	OC(=O)c1ccc(cc1)C(=O)O	0.613	0.096	0.409	0.372	0.07	0.13	0.753	0.445	0.173	0.011	0.337
Compound_226	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.024	0.057	0.014	0.029	0.168	0.007	0.002	0.866	0.64	0.017	0.28
Compound_227	Oc1ccc(cc1)c1sc2c(c1)ccc(c2)O	0.889	0.785	0.976	0.858	0.8	0.753	0.912	0.983	0.874	0.934	0.566
Compound_228	OCC(CO)C	0.622	0.08	0.057	0.47	0.028	0.016	0.534	0.166	0.257	0.325	0.274
Compound_229	CC(CC(Nc1ccc(cc1)Nc1ccccc1)C)C	0.675	0.389	0.97	0.398	0.342	0.825	0.203	0.932	0.707	0.902	0.848
Compound_230	CCCCCCCCC=C[C@H]1CCC(=O)O1	0.985	0.341	0.237	0.59	0.634	0.194	0.999	0.93	0.706	1.0	0.749
Compound_231	CCCN(c1ccc(c(c1)NC(=O)C)N=Nc1nc(c(n1CC=C)C#N)C#N)CCC	0.528	0.662	0.347	0.582	0.484	0.593	0.036	0.964	0.557	0.967	0.409
Compound_232	CCOCOCC	0.748	0.086	0.741	0.512	0.026	0.027	0.962	0.132	0.372	0.998	0.797
Compound_233	OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1	0.238	0.435	0.134	0.144	0.195	0.098	0.002	0.446	0.207	0.136	0.056
Compound_234	CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.258	0.11	0.0	0.095	0.005	0.174	0.521	0.036	0.412	0.201	0.172
Compound_235	OC(=O)c1cccc(c1)Oc1ccc(cc1Cl)C(F)(F)F	0.747	0.504	0.411	0.546	0.965	0.72	0.966	0.976	0.287	0.919	0.944
Compound_236	CC(OC(C)C)C	0.833	0.095	0.402	0.503	0.029	0.026	0.99	0.801	0.872	0.997	0.856
Compound_237	O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=O)C	0.608	0.629	0.499	0.572	0.459	0.552	0.918	0.271	0.375	0.983	0.345
Compound_238	CC(=O)c1cc(cc2c1CC(C2(C)C)O)C(C)(C)C	0.201	0.495	0.211	0.52	0.254	0.843	0.368	0.307	0.882	0.744	0.709
Compound_239	COc1cccc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O	0.527	0.834	0.874	0.47	0.926	0.905	0.998	0.918	0.421	0.983	0.908
Compound_240	CC(COc1ccccc1)O	0.249	0.077	0.077	0.489	0.245	0.04	0.625	0.027	0.279	0.226	0.07
Compound_241	CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C	0.386	0.581	0.123	0.497	0.186	0.403	0.014	0.076	0.246	0.329	0.304
Compound_242	CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO	0.928	0.041	0.07	0.566	0.147	0.181	0.974	0.11	0.578	0.826	0.666
Compound_243	Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1	0.61	0.801	0.584	0.764	0.5	0.868	0.72	0.198	0.924	0.122	0.491
Compound_244	CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)CO)Cl	0.468	0.768	0.915	0.531	0.689	0.782	0.943	0.859	0.473	0.698	0.539
Compound_245	BrCC1(CBr)CC1	0.886	0.16	0.292	0.614	0.262	0.102	0.985	0.955	0.748	1.0	0.974
Compound_246	CCN(C(=O)SCc1ccccc1Cl)CC	0.223	0.405	0.482	0.655	0.258	0.244	0.455	0.865	0.253	0.997	0.275
Compound_247	ClCC(CCl)O	0.833	0.108	0.06	0.554	0.079	0.077	0.972	0.707	0.712	0.68	0.939
Compound_248	O=CC1CC2CC(C1C)C2(C)C	0.972	0.351	0.122	0.492	0.377	0.623	0.817	0.351	0.419	0.999	0.751
Compound_249	O=C1C=C(C(O1)O)C	0.921	0.309	0.191	0.613	0.162	0.14	0.875	0.996	0.873	0.938	0.512
Compound_250	ClP(=O)(Oc1ccccc1)Oc1ccccc1	0.961	0.675	0.808	0.745	0.589	0.041	0.985	0.734	0.974	0.969	0.649
Compound_251	NCCNCCN	0.032	0.03	0.019	0.346	0.01	0.002	0.0	0.014	0.149	0.134	0.258
Compound_252	O=C(c1ccccc1I)Nc1ccccc1	0.952	0.658	0.991	0.859	0.233	0.688	0.941	0.953	0.43	0.994	0.73
Compound_253	O=NN(C1CCCCC1)C1CCCCC1	0.367	0.262	0.232	0.447	0.103	0.879	0.002	0.59	0.695	0.973	0.609
Compound_254	C=CC(C(c1ccc(cc1)Cl)O)C	0.394	0.215	0.523	0.53	0.36	0.349	0.932	0.682	0.311	0.912	0.332
Compound_255	CCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C	0.826	0.012	0.104	0.465	0.17	0.111	0.959	0.78	0.351	0.788	0.877
Compound_256	O=C1C=Cc2c(C1=NNc1cc(C)c(cc1S(=O)(=O)O)Cl)cccc2	0.654	0.483	0.908	0.462	0.753	0.652	0.955	0.784	0.477	0.881	0.199
Compound_257	CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C	0.275	0.817	0.727	0.594	0.537	0.67	0.884	0.044	0.646	0.332	0.088
Compound_258	NNc1ccc(cc1)Cl	0.842	0.327	0.851	0.631	0.308	0.716	0.996	0.676	0.757	0.723	0.277
Compound_259	OC(=O)[C@@H]1CC[C@H](CC1)c1ccc(cc1)Cl	0.634	0.202	0.233	0.277	0.713	0.444	0.991	0.115	0.111	0.712	0.119
Compound_260	CCN(C)C	0.282	0.148	0.005	0.121	0.012	0.016	0.009	0.268	0.491	0.735	0.287
Compound_261	ClCCC(=O)Cl	0.924	0.063	0.27	0.662	0.24	0.081	0.997	0.998	0.82	0.99	0.991
Compound_262	O=C1C=C(C(=O)O1)C	0.848	0.297	0.665	0.645	0.168	0.011	0.982	1.0	0.913	0.948	0.786
Compound_263	CC(=O)c1ccc(cc1)O	0.95	0.151	0.698	0.613	0.63	0.967	0.619	0.51	0.696	0.158	0.088
Compound_264	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@](C2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.952	0.707	0.005	0.556	0.721	0.814	0.335	0.72	0.389	0.39	0.773
Compound_265	OC(=O)c1ccnc(c1)C(=O)O	0.097	0.157	0.267	0.331	0.05	0.114	0.016	0.101	0.461	0.052	0.479
Compound_266	OCC(C(Br)(Br)Br)(C)C	0.76	0.066	0.086	0.62	0.132	0.075	0.956	0.402	0.665	0.498	0.879
Compound_267	COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1	0.45	0.675	0.411	0.249	0.508	0.666	0.08	0.187	0.166	0.011	0.288
Compound_268	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.952	0.516	0.272	0.161	0.411	0.666	0.282	0.041	0.95	0.026	0.065
Compound_269	Oc1ccc(c(c1)C(F)(F)F)N	0.602	0.511	0.916	0.666	0.737	0.199	0.936	0.971	0.617	0.378	0.985
Compound_270	CC(=CC#N)O	0.891	0.302	0.115	0.53	0.255	0.01	0.866	0.951	0.781	0.867	0.927
Compound_271	CCCCCCCCCc1ccccc1O	0.756	0.293	0.529	0.567	0.283	0.327	0.434	0.948	0.95	0.99	0.664
Compound_272	FC(C(C(F)(F)F)(F)F)(C(F)(F)F)F	0.944	0.065	0.745	0.648	0.321	0.023	0.974	0.303	0.246	1.0	0.9
Compound_273	OC(=O)CCSCC1OC2OC3C(CSCCC(=O)O)OC(C(C3O)O)OC3C(CSCCC(=O)O)OC(C(C3O)O)OC3C(CSCCC(=O)O)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC6C(OC(OC1C(C2O)O)C(O)C6O)CSCCC(=O)O)C(O)C5O)CSCCC(=O)O)C(O)C4O)CSCCC(=O)O)C(C3O)O)CSCCC(=O)O	0.494	0.486	0.01	0.153	0.857	0.679	0.285	0.015	0.312	0.116	0.108
Compound_274	CCCCCCCCP(=O)(CCCCCC)CCCCCC	0.935	0.423	0.286	0.593	0.869	0.695	1.0	0.971	0.985	1.0	0.865
Compound_275	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC	0.359	0.412	0.172	0.248	0.299	0.644	0.069	0.247	0.363	0.575	0.349
Compound_276	O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CC=CCCCC(=O)OC(C)C)O	0.901	0.519	0.164	0.569	0.79	0.736	0.511	0.964	0.581	0.781	0.09
Compound_277	FC(C(=NOCC1OCCO1)c1ccc(cc1)Cl)(F)F	0.711	0.495	0.331	0.568	0.673	0.878	0.996	0.839	0.299	0.76	0.842
Compound_278	CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1	0.532	0.479	0.694	0.36	0.388	0.699	0.802	0.17	0.683	0.074	0.331
Compound_279	OCC(COc1c(C)cc(cc1Br)Br)O	0.292	0.226	0.175	0.626	0.678	0.772	0.095	0.143	0.301	0.957	0.45
Compound_280	Clc1cc2c(cc1Cl)oc1c2c(Cl)c(c(c1)Cl)Cl	0.773	0.543	0.992	0.586	0.797	0.828	0.922	0.97	0.725	0.999	0.991
Compound_281	NC(=O)CS(=O)C(c1ccccc1)c1ccccc1	0.415	0.236	0.22	0.194	0.147	0.098	0.581	0.006	0.329	0.421	0.275
Compound_282	NCC(=O)CCC(=O)OC	0.053	0.069	0.05	0.422	0.013	0.014	0.004	0.018	0.37	0.025	0.078
Compound_283	BrCC(Cn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C)Br	0.245	0.329	0.365	0.671	0.328	0.218	0.025	0.993	0.294	0.307	0.698
Compound_284	COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C1OC(=O)C(C1)C(C)C)N=N#N	0.474	0.502	0.191	0.529	0.079	0.335	0.476	0.706	0.283	0.257	0.303
Compound_285	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl	0.756	0.721	0.468	0.66	0.631	0.911	0.847	0.503	0.431	0.991	0.373
Compound_286	CC(C1N(CC(=O)O)C(=O)C1C(O)C)C(=O)Sc1ccc(cc1)Cl	0.212	0.474	0.097	0.391	0.539	0.429	0.048	0.158	0.126	0.071	0.281
Compound_287	Sc1ccccc1	0.931	0.298	0.863	0.611	0.117	0.231	0.998	0.173	0.972	0.999	0.44
Compound_288	O=C1N(Cc2ccccc2)C(=O)C2C1C2(C)C	0.148	0.605	0.468	0.482	0.043	0.21	0.066	0.085	0.457	0.018	0.253
Compound_289	Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)ccc(c1)O	0.494	0.374	0.939	0.698	0.938	0.747	0.981	0.807	0.421	0.976	0.98
Compound_290	CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)C)Oc1ccc(cc1)C(C)C)C	0.78	0.549	0.886	0.62	0.943	0.473	0.984	0.266	0.404	0.968	0.666
Compound_291	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	0.802	0.374	0.896	0.551	0.155	0.092	0.993	0.954	0.695	0.97	0.454
Compound_292	Cc1ccc(cn1)C(=O)Cc1ccc(cc1)S(=O)(=O)C	0.171	0.471	0.689	0.498	0.266	0.406	0.018	0.615	0.372	0.01	0.124
Compound_293	NCc1cc(N)ccc1O	0.44	0.36	0.943	0.614	0.185	0.258	0.013	0.987	0.534	0.025	0.521
Compound_294	O=C1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C	0.274	0.488	0.373	0.672	0.31	0.455	0.832	0.579	0.319	0.933	0.286
Compound_295	S=c1[nH]c(=S)[nH]c(=S)[nH]1	0.602	0.255	0.214	0.419	0.41	0.283	0.123	0.037	0.973	0.907	0.696
Compound_296	OCc1nc(Cl)c(c(c1Cl)Cl)Cl	0.338	0.193	0.381	0.561	0.354	0.499	0.931	0.896	0.732	0.295	0.664
Compound_297	N#CC(c1cccc(c1)C(=O)O)C	0.295	0.173	0.075	0.371	0.419	0.131	0.759	0.635	0.593	0.024	0.381
Compound_298	OCc1ccccc1N	0.271	0.357	0.871	0.438	0.047	0.121	0.901	0.765	0.649	0.008	0.761
Compound_299	O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)c1ccccc1	0.045	0.63	0.232	0.5	0.032	0.402	0.028	0.554	0.296	0.551	0.171
Compound_300	CC=CC=CC1OC(O)(C(C(=O)NCC=CC=C(C(C(C2OC(C(C2O)O)C=CC=CC=C(C(=O)c2c(=O)ccn(c2O)C)C)C)OC)C)CC)C(C(C1(C)C)OC1OC(C)C(C(C1O)OC)OC1OC(C)C(C(C1OC)O)OC)O	0.605	0.428	0.004	0.36	0.84	0.829	0.093	0.809	0.434	0.304	0.646
Compound_301	NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1ccccc1)CCC2)Cc1ccccc1)C(C)C	0.846	0.536	0.006	0.203	0.754	0.885	0.861	0.012	0.387	0.463	0.488
Compound_302	CCCCCCC1CCC(=O)O1	0.87	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.359	0.998	0.655
Compound_303	NCCC(c1ccccc1Cl)(c1ccccc1)O	0.045	0.408	0.427	0.505	0.451	0.366	0.015	0.031	0.186	0.006	0.564
Compound_304	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC	0.95	0.011	0.296	0.734	0.217	0.159	0.998	0.631	0.35	0.998	0.876
Compound_305	OCCC(OC)(C)C	0.712	0.072	0.023	0.443	0.026	0.024	0.396	0.4	0.26	0.02	0.661
Compound_306	OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1	0.045	0.636	0.454	0.349	0.196	0.97	0.039	0.266	0.423	0.003	0.113
Compound_307	O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C	0.831	0.613	0.097	0.634	0.284	0.472	0.968	0.989	0.633	0.444	0.805
Compound_308	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C	0.474	0.62	0.005	0.279	0.638	0.098	0.014	0.882	0.496	0.028	0.189
Compound_309	CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1c(S2)cccc1	0.053	0.682	0.016	0.031	0.852	0.258	0.013	0.089	0.16	0.004	0.137
Compound_310	Clc1cc(Cl)cc(c1)c1ccccc1	0.992	0.471	0.955	0.817	0.695	0.561	0.992	0.497	0.907	0.988	0.656
Compound_311	O=N(=O)c1ccc(cc1)n1cc(nc1C)N(=O)=O	0.387	0.235	0.439	0.556	0.332	0.098	0.085	0.543	0.586	0.891	0.845
Compound_312	COC(=O)C(C(C(OC(=C(F)F)F)(F)F)(F)F)(F)F	0.867	0.219	0.843	0.659	0.274	0.038	0.998	0.982	0.46	0.996	0.876
Compound_313	CCCCCCCCC=CCCCCCCCC(=O)OCC(CCCC)CC	0.964	0.016	0.408	0.713	0.391	0.074	0.998	0.84	0.321	1.0	0.942
Compound_314	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)C(=O)O	0.09	0.355	0.006	0.193	0.281	0.099	0.01	0.043	0.138	0.002	0.206
Compound_315	CCOc1ccc(c2c1nccc2)S(=O)(=O)O	0.556	0.484	0.963	0.468	0.545	0.644	0.099	0.624	0.296	0.521	0.554
Compound_316	N#CC(c1cccc(c1)C(=O)Cl)C	0.828	0.223	0.598	0.603	0.361	0.215	0.963	0.968	0.687	0.972	0.935
Compound_317	CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC	0.368	0.617	0.827	0.343	0.905	0.632	0.076	0.513	0.632	0.933	0.922
Compound_318	C[N+](C)(C)C	0.65	0.239	0.118	0.487	0.11	0.037	0.057	0.293	0.385	0.64	0.173
Compound_319	CC(C(c1ccccc1)(C#N)CC(N(C)C)C)C	0.446	0.288	0.049	0.259	0.249	0.18	0.132	0.285	0.425	0.024	0.41
Compound_320	CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=NO)N)C1CCCCC1	0.197	0.423	0.19	0.285	0.131	0.43	0.814	0.015	0.358	0.643	0.355
Compound_321	CCOC(=O)c1cnc(nc1NCc1ccc(c(c1)Cl)OC)N1CCCC1CO	0.505	0.571	0.169	0.535	0.479	0.537	0.173	0.791	0.259	0.518	0.791
Compound_322	Clc1nc(c(c(c1Cl)Cl)Cl)C(Cl)(Cl)Cl	0.648	0.324	0.759	0.648	0.668	0.816	0.99	0.988	0.439	0.983	0.32
Compound_323	Cc1ccc(c(c1)N(=O)=O)N	0.935	0.143	0.956	0.6	0.487	0.026	0.985	0.981	0.828	0.996	0.826
Compound_324	Nc1nc(=O)c2c([nH]1)nc[nH]2	0.095	0.448	0.436	0.386	0.141	0.739	0.001	0.203	0.389	0.025	0.416
Compound_325	Cc1cc(nc(n1)Cl)N(C)C	0.438	0.378	0.578	0.538	0.215	0.279	0.179	0.309	0.175	0.521	0.015
Compound_326	OC1CCCCCCCCCC2=C1OCCC2	0.934	0.49	0.093	0.52	0.386	0.588	0.791	0.44	0.453	0.215	0.077
Compound_327	Nc1cccc2c1ccc(c2)S(=O)(=O)O	0.775	0.268	0.989	0.516	0.817	0.552	0.885	0.9	0.491	0.14	0.561
Compound_328	CCCC=CCCCCCCCOC(=O)C	0.982	0.009	0.235	0.728	0.526	0.06	0.998	0.986	0.905	1.0	0.942
Compound_329	CCCCOC(=O)CC#N	0.845	0.09	0.14	0.723	0.17	0.039	0.979	0.966	0.553	0.935	0.939
Compound_330	N#CCC(CC(C#N)(C)C)C	0.97	0.092	0.047	0.368	0.329	0.076	0.591	0.492	0.7	0.43	0.794
Compound_331	SCC(=O)OCCCCCC(C)C	0.811	0.048	0.313	0.655	0.185	0.17	0.991	0.269	0.651	0.941	0.734
Compound_332	Brc1cnc(c(c1)OC(c1c(Cl)ccc(c1Cl)F)C)N	0.561	0.624	0.882	0.679	0.522	0.565	0.046	0.921	0.47	0.975	0.63
Compound_333	O=C=NCCC(CC(CN=C=O)(C)C)C	0.896	0.148	0.393	0.4	0.073	0.249	0.207	0.096	0.674	0.552	0.465
Compound_334	CCC(CC)C	0.909	0.098	0.232	0.443	0.032	0.006	0.976	0.464	0.841	0.999	0.743
Compound_335	OCC1OC(Oc2ccc(cc2)O)C(C(C1O)O)O	0.421	0.366	0.083	0.464	0.651	0.561	0.107	0.032	0.702	0.278	0.127
Compound_336	ClCCOc1ccc(cc1)N(=O)=O	0.961	0.393	0.942	0.766	0.891	0.839	0.988	0.932	0.29	0.929	0.878
Compound_337	NCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(cc2)OCC)C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@H](O)C)[C@H](CC)C	0.745	0.606	0.001	0.338	0.387	0.755	0.008	0.039	0.246	0.1	0.561
Compound_338	O=N(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O	0.975	0.323	0.935	0.574	0.07	0.196	0.996	0.989	0.765	0.999	0.862
Compound_339	COc1cc(ccc1OC)C(C(C)C)(CCCNCCc1ccc(c(c1)OC)O)C#N	0.046	0.522	0.015	0.419	0.298	0.42	0.023	0.334	0.378	0.005	0.5
Compound_340	COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1	0.053	0.707	0.014	0.109	0.85	0.439	0.013	0.022	0.3	0.948	0.45
Compound_341	CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1	0.071	0.611	0.155	0.251	0.738	0.316	0.1	0.486	0.058	0.077	0.104
Compound_342	C=CN1CCCCCC1=O	0.36	0.405	0.259	0.592	0.17	0.282	0.102	0.857	0.328	0.982	0.553
Compound_343	ClCCCN(C)C	0.453	0.257	0.003	0.195	0.099	0.094	0.203	0.864	0.056	0.096	0.833
Compound_344	O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1	0.445	0.399	0.314	0.393	0.796	0.82	0.027	0.308	0.408	0.051	0.289
Compound_345	OC(=O)CC#N	0.612	0.102	0.027	0.129	0.212	0.048	0.751	0.529	0.456	0.004	0.693
Compound_346	CC[NH2+]C[C@@H](c1cccc(c1)O)O	0.01	0.159	0.145	0.33	0.026	0.001	0.001	0.116	0.141	0.002	0.085
Compound_347	CCCCCCCCCCCCCCCCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.891	0.34	0.667	0.675	0.859	0.991	0.633	0.746	0.846	0.889	0.688
Compound_348	O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C	0.954	1.0	0.063	0.948	0.788	0.928	0.717	0.998	0.066	0.929	0.093
Compound_349	Cc1ccccc1CN1CCN(CC1)CCOC(c1ccccc1Cl)c1ccccc1	0.06	0.519	0.272	0.178	0.561	0.294	0.004	0.299	0.257	0.615	0.245
Compound_350	OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C	0.013	0.62	0.007	0.536	0.28	0.037	0.321	0.002	0.218	0.012	0.023
Compound_351	O=C(c1cccnc1)O[C@@H]1[C@@H](COC(=O)c2cccnc2)O[C@]([C@H]1OC(=O)c1cccnc1)(O)COC(=O)c1cccnc1	0.316	0.551	0.651	0.561	0.661	0.647	0.952	0.006	0.124	0.116	0.784
Compound_352	O=C(C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.635	0.61	0.992	0.66	0.662	0.648	0.773	0.836	0.458	0.934	0.854
Compound_353	O=C1CC(=O)N(c2c(N1)ccc(c2)Cl)c1ccccc1	0.812	0.632	0.982	0.534	0.657	0.674	0.995	0.935	0.49	0.488	0.9
Compound_354	Clc1ccc(cc1)c1ccc(cc1Cl)Cl	0.992	0.396	0.901	0.788	0.808	0.494	0.98	0.477	0.905	0.986	0.648
Compound_355	CC(CCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCCCC(C)C)C	0.66	0.069	0.308	0.45	0.208	0.292	0.936	0.643	0.413	0.852	0.274
Compound_356	OCCN1C(=O)c2c(C1=O)cccc2	0.121	0.44	0.313	0.474	0.026	0.31	0.172	0.017	0.24	0.001	0.096
Compound_357	CN(c1nc(=O)c(c([nH]1)C)C)C	0.123	0.362	0.15	0.384	0.053	0.027	0.01	0.013	0.497	0.15	0.338
Compound_358	N#Cc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1cccc(c1)C#N	0.941	0.698	0.846	0.672	0.938	0.559	0.996	0.869	0.936	0.987	0.983
Compound_359	CCCCOP(=O)(CCC(OC(=O)C)C#N)C	0.304	0.105	0.237	0.549	0.843	0.541	0.977	0.902	0.682	0.721	0.82
Compound_360	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.257	0.246	1.0	0.989	1.0	1.0	0.819
Compound_361	O=C(C(Oc1ccc(c(c1Cl)C)Cl)C)Nc1ccccc1	0.497	0.642	0.986	0.789	0.351	0.579	0.951	0.602	0.511	0.923	0.661
Compound_362	ClC(=C(C(C(=O)O)(Cl)Cl)Cl)Cl	0.728	0.194	0.047	0.5	0.56	0.357	0.997	0.999	0.404	0.884	0.954
Compound_363	Cc1cccc(c1)NC(=O)C1=Cc2ccccc2C(=NNc2ccc3c(c2)C(=O)c2c3ccc(c2)NN=C2C(=O)C(=Cc3c2cccc3)C(=O)Nc2ccccc2Cl)C1=O	0.701	0.619	0.999	0.8	0.925	0.803	0.984	0.986	0.421	0.985	0.81
Compound_364	CCCCCC(COC(=O)OCC(CCCCC)CCC)CCC	0.931	0.02	0.166	0.572	0.143	0.154	0.997	0.158	0.672	0.998	0.474
Compound_365	COCCCNC(=O)C(C(C(C(CO)O)O)O)O	0.018	0.2	0.002	0.279	0.018	0.062	0.002	0.037	0.285	0.006	0.037
Compound_366	Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)C	0.93	0.633	0.783	0.738	0.865	0.923	0.504	0.804	0.645	0.992	0.971
Compound_367	O=C(C(NC(=O)c1ccccc1)Cc1ccc(cc1)O)Nc1ccc(cc1)C(=O)O	0.287	0.593	0.282	0.521	0.909	0.931	0.132	0.385	0.388	0.27	0.092
Compound_368	Clc1cc(C)c2c(c1)SC(=C1S(=O)c3c(C1=O)c(C)cc(c3)Cl)C2=O	0.542	0.746	0.952	0.674	0.725	0.669	0.936	0.781	0.578	0.947	0.705
Compound_369	Cn1cnc2c1c(N)ncn2	0.35	0.704	0.358	0.404	0.208	0.315	0.012	0.165	0.932	0.488	0.151
Compound_370	CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)O)C	0.425	0.628	0.078	0.309	0.172	0.499	0.211	0.08	0.37	0.057	0.288
Compound_371	Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1	0.64	0.62	0.606	0.57	0.642	0.765	0.953	0.089	0.466	0.048	0.525
Compound_372	OCCCOC(C(C(OCCCO)COCCCO)OCCCO)C(OCCCO)COCCCO	0.909	0.148	0.066	0.524	0.277	0.604	0.289	0.28	0.133	0.806	0.376
Compound_373	OC(=O)CC1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F	0.568	0.506	0.387	0.243	0.742	0.637	0.98	0.185	0.284	0.399	0.335
Compound_374	Ic1cc(O)c(c(c1)I)S(=O)(=O)O	0.519	0.437	0.763	0.482	0.546	0.526	0.511	0.77	0.386	0.904	0.242
Compound_375	O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O	0.359	0.493	0.101	0.195	0.381	0.357	0.961	0.029	0.456	0.123	0.237
Compound_376	Nc1cccc(c1)C(F)(F)F	0.911	0.297	0.922	0.62	0.132	0.075	0.982	0.872	0.561	0.926	0.5
Compound_377	Fc1ccc(cc1)N(=O)=O	1.002	0.191	0.87	0.677	0.229	0.199	0.999	0.965	0.732	0.997	0.847
Compound_378	CCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.566	0.095	1.0	0.967	0.933	1.0	0.973
Compound_379	OC(=O)CCC(C(C(F)(F)F)(F)F)(F)F	0.689	0.025	0.408	0.571	0.293	0.024	0.86	0.512	0.034	0.043	0.416
Compound_380	Cc1cc(C)cc(c1)C(C)(C)C	0.653	0.095	0.786	0.576	0.063	0.075	0.749	0.327	0.882	0.996	0.237
Compound_381	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.649	0.905	0.016	0.125	0.807	0.886	0.021	0.858	0.058	0.957	0.225
Compound_382	Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)Oc1cccc(c1)OP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C)C	0.777	0.655	0.918	0.654	0.946	0.569	0.984	0.716	0.538	0.721	0.755
Compound_383	OCC(CO)O	0.569	0.113	0.051	0.388	0.09	0.098	0.212	0.035	0.092	0.118	0.114
Compound_384	ClC(=O)c1cccc(c1)C(=O)Cl	0.901	0.131	0.892	0.689	0.066	0.098	0.996	0.97	0.903	0.974	0.925
Compound_385	CC(=O)Nc1ccc(cc1)NC(=O)c1cc2ccccc2cc1O	0.849	0.889	0.948	0.714	0.86	0.992	0.658	0.977	0.622	0.86	0.789
Compound_386	CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C	0.053	0.648	0.006	0.227	0.197	0.585	0.006	0.137	0.318	0.296	0.212
Compound_387	CCCCCCCCCNC(=O)CCCCC(=O)OO	0.245	0.072	0.066	0.335	0.022	0.078	0.001	0.218	0.393	0.144	0.122
Compound_388	CCCCCC1C(CCC1=O)CC(=O)OC	0.881	0.359	0.162	0.513	0.006	0.017	0.636	0.812	0.33	0.947	0.794
Compound_389	Clc1ccc(c(c1)C)N	0.657	0.173	0.98	0.625	0.251	0.277	0.999	0.955	0.879	0.985	0.249
Compound_390	CNCC(=O)O	0.021	0.053	0.021	0.131	0.049	-0.0	0.0	0.049	0.095	0.0	0.035
Compound_391	O=C=NC1CCC(CC1)CC1CCC(CC1)N=C=O	0.947	0.409	0.322	0.445	0.24	0.864	0.028	0.869	0.687	0.984	0.701
Compound_392	Oc1ccc(cc1)C(=O)c1ccc(cc1O)O	0.97	0.776	0.936	0.821	0.92	0.982	0.99	0.902	0.882	0.832	0.703
Compound_393	CCC(c1ccc(cc1)O)(C)C	0.87	0.105	0.399	0.586	0.743	0.902	0.823	0.145	0.755	0.776	0.264
Compound_394	CC(=Cc1cncn1Cc1ccccc1)CCC=C(C)C	0.569	0.717	0.877	0.615	0.153	0.887	0.231	0.904	0.891	0.221	0.179
Compound_395	CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C	0.052	0.727	0.017	0.2	0.904	0.18	0.953	0.094	0.411	0.001	0.918
Compound_396	CCCCCC(=O)OCC	0.746	0.003	0.551	0.723	0.06	0.028	0.987	0.592	0.059	0.998	0.912
Compound_397	CN(CC=C(c1cccnc1)c1ccc(cc1)Br)C	0.24	0.558	0.022	0.302	0.196	0.643	0.004	0.021	0.44	0.041	0.087
Compound_398	CCC(c1ccccc1)(C#N)CC	0.896	0.224	0.487	0.634	0.406	0.103	0.695	0.59	0.696	0.731	0.755
Compound_399	CC(=O)Nc1cc(C(=O)O)c(c(c1I)NC(=O)C)I	0.106	0.512	0.083	0.361	0.292	0.243	0.016	0.011	0.157	0.066	0.123
Compound_400	Cc1ccc2c(c1)C(C)(C)CC2(C)C	0.635	0.299	0.553	0.586	0.177	0.273	0.208	0.694	0.997	0.998	0.5
Compound_401	CCOC(=O)CC(=O)COCCNC(c1ccccc1)(c1ccccc1)c1ccccc1	0.102	0.572	0.038	0.468	0.199	0.665	0.887	0.005	0.398	0.038	0.334
Compound_402	FC(COc1cccnc1Cl)(F)F	0.569	0.352	0.825	0.713	0.236	0.22	0.79	0.902	0.323	0.995	0.951
Compound_403	CC(CC(N)(C)C)(C)C	0.201	0.022	0.123	0.376	0.02	0.047	0.013	0.015	0.728	0.239	0.133
Compound_404	ClC1C(Cl)C(C(C1(Cl)Cl)Cl)(Cl)Cl	0.96	0.35	0.627	0.578	0.685	0.655	0.991	0.833	0.394	0.998	0.697
Compound_405	CCCCCCCCCCCCCCCC[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_406	CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I	0.068	0.532	0.024	0.312	0.08	0.235	0.003	0.075	0.297	0.071	0.105
Compound_407	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	0.556	0.767	0.016	0.34	0.587	0.622	0.388	0.061	0.058	0.478	0.713
Compound_408	CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC	0.656	0.837	0.075	0.325	0.093	0.628	0.115	0.963	0.201	0.923	0.093
Compound_409	OC(=O)C(c1ccc(cc1)C(c1ccc(cc1)N)(C)C)(C)C	0.228	0.67	0.373	0.174	0.645	0.916	0.996	0.004	0.423	0.024	0.878
Compound_410	O=C1NC(=O)C2C1C1C(=C(c3ccccn3)c3ccccc3)C2C=C1C(c1ccccn1)(c1ccccc1)O	0.627	0.695	0.636	0.455	0.624	0.639	0.883	0.915	0.391	0.159	0.954
Compound_411	ClCCCl	0.896	0.063	0.433	0.611	0.316	0.124	0.952	0.983	0.978	0.998	0.933
Compound_412	OC(=C1C(=O)CC(CC1=O)C(=O)O)C1CC1	0.802	0.497	0.061	0.27	0.038	0.082	0.749	0.831	0.361	0.515	0.352
Compound_413	CC(CCC1CCCCC1)(O)C	0.917	0.131	0.057	0.517	0.114	0.035	0.832	0.412	0.532	0.713	0.203
Compound_414	O=C([C@@H](c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.273	0.719	0.001	0.075	0.459	0.263	0.034	0.104	0.351	0.639	0.425
Compound_415	CCN(C(=O)SCc1ccc(cc1)Cl)CC	0.247	0.331	0.472	0.629	0.233	0.356	0.53	0.899	0.151	0.997	0.23
Compound_416	OC(=O)c1cccc2c1OC(O2)(F)F	0.249	0.313	0.262	0.336	0.463	0.244	0.287	0.619	0.207	0.758	0.605
Compound_417	O=N(=O)c1ccc2c(c1)c1ccccc1[nH]2	0.954	0.698	0.988	0.513	0.755	0.745	0.998	0.978	0.891	0.996	0.924
Compound_418	OCCNc1ccc(cc1N(=O)=O)N(CCO)CCO	0.466	0.094	0.622	0.394	0.611	0.098	0.001	0.628	0.376	0.227	0.656
Compound_419	Clc1cnc2c(c1)ccc(c2C(=O)O)Cl	0.38	0.252	0.955	0.423	0.548	0.098	0.25	0.813	0.852	0.488	0.874
Compound_420	O=CCCCC=O	0.824	0.093	0.273	0.473	0.034	0.382	0.991	0.957	0.777	0.724	0.918
Compound_421	C=CNC=O	0.16	0.168	0.241	0.357	0.061	0.091	0.003	0.899	0.733	0.992	0.783
Compound_422	N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C	0.355	0.73	0.933	0.766	0.531	0.898	0.966	0.954	0.95	0.016	0.75
Compound_423	CC(CC(=CC=CC(=O)C)C)C	0.942	0.082	0.908	0.628	0.207	0.055	0.348	0.948	0.871	0.999	0.965
Compound_424	O[C@H]1C=C2C[C@H](CC[C@@]2([C@@H]2[C@@H]1[C@@H]1[C@@H](OC(=O)C(C)(C)C)CC(=O)[C@]1(CC2)C)C)OC(=O)C(C)(C)C	0.875	1.0	0.005	0.675	0.986	0.953	0.023	0.849	0.18	0.921	0.141
Compound_425	Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1	0.952	0.875	0.926	0.754	0.673	0.691	0.414	0.953	0.526	0.028	0.06
Compound_426	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.431	0.498	0.015	0.398	0.569	0.748	0.077	0.047	0.466	0.691	0.169
Compound_427	COc1ccccc1Br	0.962	0.161	0.863	0.688	0.524	0.548	0.993	0.153	0.709	0.992	0.856
Compound_428	BrC(C(C)(C)C)C(=O)NC(c1ccccc1)(C)C	0.158	0.219	0.71	0.415	0.559	0.47	0.039	0.96	0.412	0.771	0.33
Compound_429	N#CC(=C1CCCCC1)c1ccccc1	0.936	0.469	0.485	0.597	0.682	0.184	0.987	0.971	0.925	0.995	0.954
Compound_430	O1CCN(CC1)Sc1nc2c(s1)cccc2	0.666	0.454	0.979	0.499	0.551	0.685	0.053	0.106	0.729	0.197	0.255
Compound_431	Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O	0.439	0.527	0.903	0.684	0.93	0.859	0.993	0.091	0.464	0.868	0.876
Compound_432	ClCCl	0.923	0.079	0.518	0.607	0.662	0.305	0.886	0.983	0.947	0.999	0.885
Compound_433	Nc1nc(=O)c2c([nH]1)ncn2C	0.094	0.42	0.198	0.348	0.081	0.112	0.001	0.015	0.511	0.007	0.152
Compound_434	CC(=O)C=C	0.936	0.145	0.658	0.631	0.142	0.015	0.979	0.978	0.925	1.0	0.892
Compound_435	COC(=O)CC(=O)CC(=O)OC	0.594	0.011	0.327	0.498	0.063	0.046	0.993	0.981	0.511	0.055	0.754
Compound_436	COc1ccccc1P(c1ccccc1OC)CCCP(c1ccccc1OC)c1ccccc1OC	0.393	0.503	0.502	0.598	0.982	0.62	0.995	0.065	0.76	0.942	0.783
Compound_437	CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O	0.828	0.659	0.775	0.578	0.891	0.967	0.98	0.943	0.436	0.971	0.765
Compound_438	CC=CC1=C(N2C(SC1)C(C2=O)N)C(=O)O	0.108	0.207	0.095	0.214	0.605	0.074	0.002	0.766	0.033	0.272	0.066
Compound_439	COc1cc(cc(c1OC)OC)C(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2	0.126	0.678	0.801	0.173	0.835	0.718	0.303	0.723	0.601	0.48	0.684
Compound_440	CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1	0.622	0.511	0.006	0.44	0.611	0.671	0.955	0.187	0.142	0.022	0.153
Compound_441	CC1=CC(=C(C)C)CCC1	0.98	0.191	0.872	0.547	0.184	0.071	0.962	0.886	0.937	0.992	0.661
Compound_442	BrC=C	0.94	0.085	0.433	0.578	0.204	0.048	0.957	0.988	0.918	1.0	0.915
Compound_443	OC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.828	0.021	0.457	0.547	0.49	0.045	0.054	0.987	0.347	0.435	0.912
Compound_444	CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O	0.086	0.704	0.751	0.29	0.5	0.533	0.023	0.04	0.416	0.28	0.596
Compound_445	CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC	0.136	0.612	0.09	0.114	0.427	0.68	0.021	0.248	0.398	0.885	0.537
Compound_446	Nc1ccc(c(c1)C(=O)O)O	0.068	0.424	0.217	0.384	0.301	0.175	0.053	0.034	0.749	0.016	0.388
Compound_447	C1CCN2C(=NCCC2)CC1	0.218	0.376	0.167	0.49	0.178	0.442	0.003	0.531	0.814	0.49	0.063
Compound_448	NCCNCCCN	0.024	0.083	0.017	0.311	0.01	0.007	0.0	0.021	0.264	0.091	0.203
Compound_449	CCCCCCCCC=CCCCCCCCCNC(=O)CC(S(=O)(=O)O)C(=O)O	0.211	0.099	0.025	0.199	0.273	0.338	0.238	0.361	0.41	0.084	0.343
Compound_450	Cc1c[nH]c(=O)cc1N	0.102	0.404	0.565	0.395	0.058	0.025	0.009	0.027	0.605	0.027	0.333
Compound_451	CCCCCCCCCCCCCCC(c1cc(O)c(cc1O)Cl)C	0.93	0.338	0.295	0.644	0.838	0.398	0.874	0.986	0.833	0.988	0.905
Compound_452	CCCN1CC(CC2C1Cc1cccc(c1C2)O)NS(=O)(=O)N(CC)CC	0.317	0.579	0.712	0.41	0.065	0.428	0.022	0.06	0.258	0.848	0.304
Compound_453	NCCCN(CCCN)CCCCN(CCCN)CCCN	0.06	0.115	0.007	0.115	0.03	0.231	0.15	0.128	0.308	0.139	0.199
Compound_454	C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)OC(C)(C)C	0.009	0.103	0.005	0.183	0.083	0.011	0.001	0.039	0.374	0.042	0.271
Compound_455	Clc1ccc(cc1)C(=NOCc1ccc(cc1)N(=O)=O)C1CC1	0.632	0.676	0.513	0.654	0.935	0.773	0.998	0.974	0.36	0.985	0.905
Compound_456	CC(=O)OCC(=O)[C@@]12N=C(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C	0.753	0.89	0.307	0.954	0.437	0.561	0.056	0.489	0.247	0.599	0.23
Compound_457	O=C1N(CC2Nc3ccccc3Cc3c2cccc3)C(=O)c2c1cccc2	0.375	0.619	0.951	0.473	0.819	0.712	0.887	0.477	0.474	0.55	0.47
Compound_458	CCCCNCC(c1ccc(cc1)O)O	0.009	0.235	0.006	0.089	0.058	0.03	0.0	0.014	0.227	0.052	0.017
Compound_459	O=C1C(N)C2N1C(=C(CS2)C)C(=O)O	0.028	0.197	0.059	0.11	0.54	0.049	0.002	0.092	0.023	0.272	0.054
Compound_460	CC(C(NC(=O)N)NC(=O)N)C	0.038	0.143	0.041	0.295	0.023	0.03	0.0	0.01	0.487	0.025	0.142
Compound_461	c1ccc(cc1)COc1ccc(cc1)CCOCC1CC1	0.604	0.621	0.181	0.615	0.898	0.909	0.995	0.482	0.511	0.998	0.957
Compound_462	OC1CC(=CC(C1O)O)C(=O)O	0.72	0.317	0.045	0.279	0.339	0.163	0.06	0.72	0.181	0.369	0.01
Compound_463	Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)O[C@@H](C(=O)OCC1CCCO1)C	0.818	0.692	0.673	0.75	0.465	0.115	0.328	0.88	0.321	0.978	0.759
Compound_464	Clc1ccc2c(c1)[C@H](O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C	0.619	0.598	0.991	0.727	0.674	0.903	0.45	0.667	0.058	0.02	0.41
Compound_465	CCSC(=O)Cl	0.761	0.141	0.761	0.657	0.094	0.074	0.985	0.987	0.233	0.999	0.968
Compound_466	OCc1c(CO)cnc(c1O)C	0.122	0.32	0.069	0.28	0.033	0.247	0.007	0.034	0.474	0.004	0.15
Compound_467	N#CCCn1cncc1	0.363	0.352	0.314	0.589	0.609	0.343	0.017	0.667	0.678	0.11	0.713
Compound_468	Cc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.658	0.631	0.991	0.717	0.711	0.416	0.085	0.931	0.469	0.97	0.717
Compound_469	COC(=O)Oc1cc(N(=O)=O)c(cc1C(C)(C)C)C(C)(C)C	0.825	0.496	0.807	0.67	0.852	0.769	0.737	0.93	0.683	0.22	0.533
Compound_470	ClC(C#N)Br	0.947	0.196	0.273	0.597	0.332	0.126	0.952	0.999	0.91	0.999	0.974
Compound_471	CC(c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)C)C	0.598	0.582	0.434	0.548	0.649	0.259	0.937	0.092	0.311	0.993	0.255
Compound_472	[S-]C(=S)NCC(NC(=S)[S-])C	0.03	0.082	0.542	0.413	0.172	0.224	0.001	0.715	0.655	0.899	0.812
Compound_473	SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)C)CC(=O)N)CCC(=O)O)CCCNC(=N)N)CC(=O)O)CCC(=O)O)N	0.144	0.073	0.001	0.159	0.664	0.654	0.019	0.053	0.405	0.009	0.066
Compound_474	O=N(=O)c1ccc(c2c1cccn2)O	0.754	0.732	0.898	0.5	0.629	0.649	0.052	0.932	0.728	0.991	0.946
Compound_475	OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.706	0.556	0.1	0.488	0.839	0.366	0.817	0.957	0.338	0.908	0.844
Compound_476	O=N(=O)c1ccc(c(c1F)Cl)F	0.994	0.213	0.972	0.599	0.671	0.245	1.0	0.996	0.552	0.999	0.928
Compound_477	NC(=O)c1ncn2c1nnn(c2=O)C	0.238	0.334	0.01	0.252	0.093	0.223	0.001	0.057	0.574	0.0	0.119
Compound_478	ONc1ccccc1	0.961	0.495	0.926	0.66	0.115	0.79	0.982	0.845	0.879	0.972	0.513
Compound_479	CCCC(CC(Cc1ccc(cc1)Nc1ccc(cc1)CC(CC(CCCO)C)C)C)C	0.876	0.329	0.375	0.443	0.611	0.973	0.956	0.683	0.298	0.815	0.662
Compound_480	CCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(c(c1O)Cl)CC	0.785	0.588	0.631	0.561	0.684	0.555	0.971	0.868	0.482	0.642	0.254
Compound_481	Clc1ccc(cc1)c1ccccc1Cl	0.984	0.396	0.912	0.777	0.807	0.685	0.981	0.087	0.931	0.986	0.648
Compound_482	NNC(=S)N	0.515	0.093	0.883	0.363	0.477	0.159	0.167	0.259	0.968	0.928	0.297
Compound_483	N#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C	0.991	0.97	0.013	0.787	0.972	0.824	0.065	0.398	0.264	0.417	0.343
Compound_484	SC(=S)NC#N	0.476	0.16	0.139	0.278	0.345	0.244	0.139	0.034	1.001	0.998	0.848
Compound_485	CN1CCC(CC1)N(c1ccccc1)Cc1ccccc1	0.332	0.578	0.071	0.103	0.246	0.829	0.004	0.023	0.29	0.009	0.058
Compound_486	CCOC(=O)C	0.801	0.038	0.577	0.612	0.049	0.017	0.97	0.262	0.687	0.837	0.895
Compound_487	CC=CP(=O)(O)O	0.514	0.118	0.157	0.379	0.663	0.125	0.992	0.745	0.877	0.841	0.404
Compound_488	CCn1c2ccccc2c2c1cc1oc3c(Cl)c4nc5cc6c(cc5oc4c(c3nc1c2)Cl)[nH]c1c6cccc1	0.721	0.544	0.984	0.534	0.716	0.653	0.991	0.317	0.519	0.95	0.879
Compound_489	Ic1ccc(c(c1)Cc1ccc(cc1)OC1COCC1)Cl	0.242	0.515	0.832	0.688	0.957	0.845	0.471	0.857	0.374	0.992	0.929
Compound_490	FC(Oc1ccc2c(c1)[nH]c(=S)[nH]2)F	0.641	0.563	0.761	0.586	0.317	0.551	0.11	0.407	0.679	0.968	0.921
Compound_491	OCCc1ccccc1	0.117	0.105	0.905	0.496	0.034	0.144	0.995	0.745	0.175	0.085	0.266
Compound_492	OC(=O)C(Br)Cl	0.67	0.033	0.047	0.438	0.566	0.126	0.959	0.998	0.759	0.63	0.962
Compound_493	CCN1[C@@H]2CC[C@@H]1CC(C2)OC(c1ccccc1)c1ccccc1	0.057	0.481	0.048	0.054	0.06	0.409	0.001	0.02	0.089	0.544	0.24
Compound_494	CCC(C(c1ccc(cc1)O)c1ccc(cc1)O)CC	0.917	0.76	0.326	0.601	0.949	0.966	0.963	0.787	0.403	0.802	0.865
Compound_495	OC(=O)C1(C)CCCCC1	0.655	0.107	0.137	0.165	0.108	0.016	0.915	0.221	0.078	0.481	0.084
Compound_496	Brc1cc2Oc3cc(Br)c(cc3Oc2cc1Br)Br	0.931	0.501	0.966	0.698	0.678	0.65	0.978	0.972	0.869	0.983	0.978
Compound_497	CN1CCOC(c2c(C1)cccc2)c1ccccc1	0.053	0.542	0.094	0.055	0.049	0.244	0.001	0.002	0.175	0.031	0.225
Compound_498	COC(=O)c1ccc(cc1N=NC(C(=O)C)C(=O)Nc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1cc(ccc1C(=O)OC)C(=O)OC)C(=O)OC	0.533	0.786	0.998	0.635	0.711	0.859	0.94	0.114	0.447	0.946	0.41
Compound_499	Cc1ccc(cc1)N1C(=O)NC(=O)C(=CC=Cc2ccccc2N(=O)=O)C1=O	0.666	0.628	0.785	0.501	0.712	0.786	0.523	0.986	0.408	0.613	0.52
Compound_500	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2OC(=O)c1ccccc1)C)C	0.949	1.0	0.117	0.843	0.881	0.987	0.333	0.454	0.154	0.997	0.177