Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Nn1cnnc(c1=O)C(C)(C)C	0.293	0.417	0.393	0.473	0.075	0.101	0.001	0.074	0.607	0.039	0.112
Compound_2	COC(=O)c1ccccc1S(=O)(=O)NC(=O)N/C(=N/C(=O)N)/N	0.177	0.254	0.093	0.23	0.055	0.509	0.018	0.057	0.15	0.001	0.263
Compound_3	COC(=O)c1ccccc1S(=O)(=O)NC(=O)N	0.163	0.218	0.029	0.153	0.044	0.364	0.009	0.001	0.113	0.001	0.113
Compound_4	CCC1C(C)CCC23[O]1C(=O)C1C=C(C)C(C4C1(O)C(=C/C=C/C(CC(=CCC(O3)CC2)C)C)C(O4)O)O	0.867	0.98	0.029	0.153	0.857	0.774	0.453	0.001	0.889	0.993	0.213
Compound_5	CCC1OC2(CCC1C)CC1CC(O2)CC=C(C)CC(C)/C=C/C=C2C3(C(C(=O)O1)C=C(C)C(C3C(C2=O)O)O)O	0.792	0.99	0.337	0.635	0.747	0.686	0.362	0.779	0.34	0.972	0.441
Compound_6	N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O	0.491	0.598	0.664	0.642	0.2	0.694	0.142	0.088	0.407	0.004	0.819
Compound_7	OC(=O)CC(c1ccc(cc1)Cl)(C(=O)O)Cn1cncn1	0.339	0.507	0.822	0.488	0.068	0.647	0.194	0.02	0.466	0.024	0.707
Compound_8	CCNC(=O)C(Oc1cccc2c1cccc2)C	0.035	0.764	0.856	0.383	0.018	0.069	0.613	0.67	0.418	0.063	0.188
Compound_9	CCN(C(=O)Cc1cc(O)c2c(c1C)cccc2)CC	0.063	0.66	0.725	0.606	0.118	0.95	0.146	0.868	0.351	0.081	0.286
Compound_10	COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C	0.285	0.418	0.121	0.244	0.421	0.636	0.015	0.095	0.312	0.48	0.403
Compound_11	CNC(=O)c1cccnc1S(=O)(=O)N	0.073	0.231	0.016	0.252	0.045	0.238	0.002	0.018	0.341	0.003	0.088
Compound_12	Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F	0.659	0.404	0.93	0.646	0.892	0.671	0.858	0.973	0.511	0.966	0.924
Compound_13	NC(=O)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F	0.571	0.451	0.946	0.611	0.904	0.599	0.671	0.241	0.519	0.312	0.77
Compound_14	CCCn1c(CC)nc2c1c(cc(c2)S(=O)(=O)N)N(=O)=O	0.365	0.458	0.055	0.258	0.516	0.59	0.209	0.8	0.213	0.431	0.464
Compound_15	CCCn1c(CC)nc2c1c(N)cc(c2)S(=O)(=O)N	0.298	0.442	0.017	0.239	0.418	0.61	0.007	0.129	0.227	0.16	0.234
Compound_16	CCc1[nH]c2c(n1)cc(cc2N(=O)=O)S(=O)(=O)N	0.343	0.288	0.31	0.276	0.581	0.653	0.012	0.633	0.312	0.158	0.429
Compound_17	CCCNc1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O	0.488	0.326	0.05	0.166	0.45	0.507	0.013	0.295	0.294	0.015	0.384
Compound_18	O=N(=O)c1cc(cc(c1O)N(=O)=O)S(=O)(=O)N	0.73	0.221	0.008	0.239	0.425	0.644	0.286	0.6	0.511	0.004	0.507
Compound_19	CCCN(c1c(cc(cc1N(=O)=O)S(=O)(=O)O)N(=O)=O)CCC	0.863	0.266	0.204	0.365	0.629	0.603	0.858	0.889	0.367	0.039	0.439
Compound_20	O=N(=O)c1cc(cc(c1N)N(=O)=O)S(=O)(=O)N	0.675	0.227	0.015	0.215	0.423	0.511	0.092	0.173	0.305	0.1	0.465
Compound_21	CCCN(c1c(N)cc(cc1N(=O)=O)S(=O)(=O)N)CCC	0.397	0.238	0.004	0.319	0.456	0.517	0.112	0.228	0.219	0.04	0.438
Compound_22	CCCN(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)CC(O)C	0.53	0.298	0.0	0.274	0.475	0.513	0.136	0.269	0.163	0.013	0.44
Compound_23	CCCN(c1c(N)cc(cc1N)S(=O)(=O)N)CCC	0.124	0.305	0.004	0.173	0.237	0.499	0.021	0.006	0.174	0.042	0.212
Compound_24	Nc1c(N)cc(cc1N)S(=O)(=O)N	0.214	0.18	0.003	0.112	0.232	0.499	0.044	0.0	0.23	0.073	0.251
Compound_25	CCCNc1c(N=Nc2cc(cc(c2NCCC)N(=O)=O)S(=O)(=O)N)cc(cc1N(=O)=O)S(=O)(=O)N	0.569	0.37	0.142	0.248	0.612	0.606	0.066	0.386	0.306	0.008	0.476
Compound_26	CCCn1n(CC)n(=O)c2c1c(cc(c2)S(=O)(=O)N)N(=O)=O	0.458	0.508	0.142	0.248	0.562	0.593	0.568	0.386	0.213	0.221	0.477
Compound_27	OC(C(=O)O)Cn1cncn1	0.182	0.292	0.113	0.353	0.021	0.167	0.027	0.172	0.139	0.0	0.392
Compound_28	OC(=O)C(=O)Cn1cncn1	0.341	0.289	0.269	0.394	0.024	0.169	0.023	0.258	0.15	0.001	0.365
Compound_29	OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1	0.209	0.616	0.215	0.604	0.21	0.773	0.108	0.116	0.357	0.004	0.396
Compound_30	O=C(Nc1ccccc1)NCc1ccc(cc1)Cl	0.908	0.572	0.987	0.786	0.726	0.896	0.415	0.677	0.639	0.123	0.652
Compound_31	Clc1ccc(cc1)C(=O)N(C(=O)Nc1ccccc1)C1CCCC1	0.942	0.566	0.946	0.731	0.857	0.921	0.937	0.721	0.399	0.705	0.59
Compound_32	O=C(Nc1ccccc1)NC1CCCC1	0.74	0.349	0.9	0.727	0.338	0.499	0.004	0.617	0.557	0.257	0.098
Compound_33	NC(=O)N(C1CCCC1)Cc1ccc(cc1)Cl	0.219	0.357	0.028	0.288	0.099	0.754	0.058	0.015	0.386	0.27	0.134
Compound_34	CCC(Nc1c(cc(c(c1N(=O)=O)C)C(=O)O)N(=O)=O)CC	0.548	0.309	0.484	0.325	0.532	0.144	0.011	0.775	0.349	0.668	0.76
Compound_35	CCC(Nc1c(N)cc(c(c1N(=O)=O)C)C)CC	0.533	0.247	0.921	0.405	0.65	0.064	0.006	0.451	0.637	0.95	0.82
Compound_36	COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O	0.472	0.34	0.039	0.374	0.657	0.649	0.779	0.763	0.086	0.106	0.66
Compound_37	FC(COc1cccc(c1S(=O)(=O)O)C(F)(F)F)F	0.462	0.469	0.793	0.405	0.548	0.499	0.95	0.935	0.302	0.753	0.165
Compound_38	FC(COc1cccc(c1S(=O)(=O)Nc1nc[nH]n1)C(F)(F)F)F	0.201	0.337	0.21	0.287	0.574	0.615	0.32	0.905	0.081	0.017	0.704
Compound_39	FC(COc1cccc(c1S(=O)(=O)Nc1n[nH]c(n1)C(=O)O)C(F)(F)F)F	0.293	0.308	0.121	0.38	0.62	0.634	0.127	0.929	0.057	0.013	0.624
Compound_40	N=CNS(=O)(=O)c1c(OCC(F)F)cccc1C(F)(F)F	0.196	0.352	0.095	0.274	0.488	0.43	0.021	0.903	0.065	0.06	0.403
Compound_41	Cn1nc(c(c1)C(=O)Nc1ccsc1C(CC(O)(C)C)C)C(F)(F)F	0.46	0.678	0.011	0.529	0.566	0.613	0.851	0.713	0.543	0.215	0.648
Compound_42	CC(CC([C]1(=C(C=[C](=O)O1)NC(=O)c1cn(nc1C(F)(F)F)C)O)C)C	0.359	0.513	0.011	0.529	0.356	0.338	0.522	0.713	0.385	0.655	0.388
Compound_43	CC(CC([C]1(=C(C=[C](=O)S1)NC(=O)c1cn(nc1C(F)(F)F)C)O)C)C	0.392	0.564	0.011	0.529	0.441	0.335	0.363	0.713	0.301	0.347	0.411
Compound_44	OC(=O)c1c[nH]nc1C(F)(F)F	0.22	0.395	0.095	0.345	0.666	0.565	0.354	0.966	0.556	0.003	0.837
Compound_45	CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C(=O)O)C	0.385	0.684	0.039	0.5	0.58	0.59	0.964	0.827	0.205	0.246	0.56
Compound_46	OCC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)CC(C)C	0.409	0.693	0.057	0.542	0.547	0.624	0.948	0.758	0.423	0.047	0.671
Compound_47	Cn1cc(c(n1)C(F)(F)F)C(=O)N	0.127	0.521	0.019	0.346	0.173	0.093	0.264	0.639	0.727	0.01	0.583
Compound_48	Cn1cc(c(n1)C(F)(F)F)C(=O)O	0.255	0.542	0.012	0.336	0.34	0.114	0.671	0.913	0.688	0.009	0.769
Compound_49	COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)O	0.573	0.812	0.974	0.778	0.639	0.781	0.884	0.822	0.288	0.196	0.569
Compound_50	O=C(Oc1cccc(c1)N)Nc1cccc(c1)C	0.566	0.788	0.969	0.667	0.464	0.739	0.73	0.806	0.548	0.215	0.507
Compound_51	COCNC(=O)c1ccccc1C(=O)O	0.119	0.271	0.155	0.334	0.029	0.155	0.014	0.072	0.501	0.002	0.098
Compound_52	COP(OC)O	0.886	0.062	0.112	0.428	0.239	0.038	0.9	0.307	0.813	0.683	0.475
Compound_53	COP(=O)(SCN1C(=O)c2c(C1=O)cccc2)OC	0.489	0.557	0.451	0.433	0.057	0.095	0.877	0.029	0.56	0.043	0.646
Compound_54	OCNC(=O)c1ccccc1C(=O)O	0.205	0.282	0.055	0.314	0.027	0.177	0.005	0.039	0.47	0.004	0.277
Compound_55	CS(=O)CNC(=O)c1ccccc1C(=O)O	0.157	0.302	0.45	0.231	0.068	0.148	0.029	0.056	0.456	0.078	0.217
Compound_56	O=C(c1ccccc1C(=O)O)NCS(=O)(=O)C	0.165	0.29	0.091	0.241	0.068	0.166	0.029	0.112	0.432	0.007	0.223
Compound_57	CSCNC(=O)c1ccccc1C(=O)O	0.135	0.326	0.155	0.334	0.04	0.098	0.037	0.072	0.456	0.003	0.134
Compound_58	O=C(c1ccccc1C(=O)O)NCS(=O)(=O)O	0.096	0.324	0.195	0.329	0.11	0.428	0.014	0.132	0.413	0.012	0.278
Compound_59	COCN1C(=O)c2c(C1=O)cccc2	0.374	0.579	0.443	0.473	0.017	0.283	0.328	0.033	0.626	0.082	0.345
Compound_60	O=C1N(CS(=O)C)C(=O)c2c1cccc2	0.447	0.527	0.339	0.495	0.08	0.252	0.883	0.088	0.567	0.605	0.291
Compound_61	O=C1N(CS(=O)(=O)C)C(=O)c2c1cccc2	0.462	0.531	0.394	0.475	0.08	0.265	0.957	0.15	0.483	0.251	0.287
Compound_62	SCN1C(=O)c2c(C1=O)cccc2	0.569	0.591	0.206	0.494	0.072	0.424	0.697	0.024	0.783	0.085	0.598
Compound_63	CSCN1C(=O)c2c(C1=O)cccc2	0.419	0.599	0.443	0.473	0.044	0.265	0.883	0.033	0.567	0.46	0.359
Compound_64	O=C1N(CS(=O)O)C(=O)c2c1cccc2	0.347	0.51	0.055	0.171	0.124	0.475	0.786	0.009	0.604	0.418	0.426
Compound_65	OC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F	0.635	0.525	0.21	0.551	0.809	0.521	0.85	0.939	0.209	0.096	0.751
Compound_66	COC(=O)C(c1ccccc1COc1cccc(n1)C(F)(F)F)O	0.395	0.417	0.171	0.495	0.713	0.281	0.687	0.937	0.209	0.023	0.719
Compound_67	COC(=O)C(=O)c1ccccc1COc1cccc(n1)C(F)(F)F	0.534	0.391	0.591	0.598	0.659	0.539	0.961	0.988	0.33	0.021	0.876
Compound_68	CCC(c1ccccc1COc1cccc(n1)C(F)(F)F)C(=O)O	0.298	0.428	0.027	0.402	0.899	0.603	0.867	0.856	0.036	0.052	0.725
Compound_69	COc1cccc(n1)C(F)(F)F	0.735	0.193	0.794	0.64	0.291	0.271	0.746	0.979	0.733	0.498	0.5
Compound_70	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_71	OC(=O)c1ccccc1COc1cccc(n1)C(F)(F)F	0.611	0.407	0.11	0.448	0.824	0.713	0.963	0.958	0.537	0.023	0.803
Compound_72	CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC	0.102	0.635	0.18	0.587	0.092	0.405	0.314	0.2	0.422	0.168	0.515
Compound_73	O=C(N(C)C)Oc1nc(N)nc(c1C)C	0.382	0.38	0.882	0.503	0.092	0.278	0.003	0.544	0.44	0.066	0.196
Compound_74	CCN(C(=N)N)CC	0.045	0.173	0.391	0.52	0.008	0.331	0.002	0.153	0.487	0.52	0.097
Compound_75	OC1=CC(=O)CC(C1)C(=O)O	0.637	0.344	0.113	0.252	0.196	0.106	0.5	0.771	0.268	0.35	0.056
Compound_76	Oc1ccc(cc1)Oc1nc2ccc(cc2nc1O)Cl	0.791	0.607	0.814	0.632	0.669	0.607	0.6	0.842	0.784	0.933	0.983
Compound_77	Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl	0.745	0.698	0.89	0.649	0.514	0.235	0.232	0.645	0.784	0.955	0.968
Compound_78	OC(=O)C(Oc1ccc(cc1)Oc1nc2ccc(cc2nc1O)Cl)C	0.694	0.54	0.321	0.488	0.629	0.601	0.65	0.376	0.226	0.804	0.823
Compound_79	Clc1ccc2c(c1)ncc(n2)O	0.619	0.648	0.825	0.486	0.464	0.568	0.135	0.528	0.679	0.979	0.95
Compound_80	CC1C[NH+]=CN1	0.012	0.286	0.53	0.519	0.003	0.379	-0.0	0.52	0.114	0.008	0.318
Compound_81	CC1Cn2c(=N1)ssc2=S	0.092	0.411	0.279	0.512	0.028	0.737	0.008	0.469	0.709	0.963	0.667
Compound_82	CCCOc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1C(=O)O	0.268	0.438	0.01	0.228	0.128	0.578	0.004	0.042	0.367	0.003	0.23
Compound_83	O=C1NS(=O)(=O)c2c1c(O)ccc2	0.237	0.421	0.218	0.382	0.075	0.602	0.183	0.053	0.057	0.073	0.157
Compound_84	Cn1c(OCCC)nn(c1=O)C(=O)N	0.2	0.341	0.108	0.275	0.012	0.14	0.002	0.005	0.367	0.002	0.588
Compound_85	COc1cccc2c1C(=O)NS2(=O)=O	0.333	0.495	0.118	0.263	0.039	0.613	0.542	0.009	0.068	0.09	0.147
Compound_86	O=C(c1cc(Cl)cc(c1)Cl)NC(C(=O)C)(C)C	0.73	0.277	0.623	0.459	0.064	0.361	0.946	0.763	0.371	0.825	0.257
Compound_87	C=C1OC(=NC1(C)C)c1cc(Cl)cc(c1)Cl	0.41	0.59	0.145	0.752	0.19	0.316	0.771	0.792	0.547	0.333	0.554
Compound_88	CCCn1c(OCCC)nc2c(c1=O)cccc2	0.505	0.502	0.718	0.561	0.152	0.194	0.018	0.318	0.615	0.072	0.144
Compound_89	CCCn1c(=O)[nH]c2c(c1=O)cc(cc2)I	0.499	0.399	0.807	0.496	0.181	0.272	0.025	0.497	0.473	0.005	0.342
Compound_90	CCCn1c(=O)[nH]c2c(c1=O)cccc2	0.459	0.459	0.658	0.451	0.089	0.153	0.025	0.625	0.761	0.003	0.122
Compound_91	CCCN(C(=O)S(=O)Cc1ccccc1)CCC	0.289	0.352	0.186	0.558	0.094	0.09	0.31	0.324	0.193	0.996	0.167
Compound_92	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc(O)ccc1CCC(F)(F)F	0.517	0.393	0.088	0.269	0.56	0.711	0.367	0.674	0.394	0.042	0.422
Compound_93	FC(CCc1ccccc1S(=O)(=O)N)(F)F	0.217	0.399	0.047	0.249	0.195	0.407	0.877	0.238	0.127	0.045	0.401
Compound_94	Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F	0.389	0.294	0.109	0.268	0.539	0.624	0.149	0.91	0.392	0.046	0.391
Compound_95	Cc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F	0.227	0.338	0.268	0.207	0.295	0.648	0.217	0.648	0.398	0.0	0.361
Compound_96	NC(=NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F)N	0.22	0.251	0.128	0.328	0.177	0.449	0.723	0.625	0.09	0.0	0.389
Compound_97	Cc1nc(O)nc(n1)O	0.791	0.154	0.573	0.466	0.262	0.469	0.054	0.878	0.789	0.033	0.107
Compound_98	Cc1nc(N)nc(n1)O	0.586	0.154	0.644	0.476	0.233	0.468	0.004	0.538	0.844	0.036	0.23
Compound_99	N=C(NC(=O)N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F	0.174	0.27	0.013	0.15	0.223	0.684	0.393	0.057	0.226	0.001	0.377
Compound_100	CSc1ncnn1CC(C1(Cl)CC1)(Cc1ccccc1Cl)O	0.612	0.748	0.75	0.769	0.174	0.661	0.522	0.569	0.415	0.288	0.639
Compound_101	Clc1ccccc1CC(C1(Cl)CC1)(Cn1ncnc1S(=O)(=O)O)O	0.654	0.599	0.597	0.612	0.318	0.63	0.394	0.398	0.371	0.432	0.5
Compound_102	Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O	0.283	0.61	0.547	0.556	0.149	0.52	0.197	0.506	0.393	0.039	0.395
Compound_103	Oc1cccc(c1Cl)CC(C1(Cl)CC1)(Cn1cncn1)O	0.728	0.807	0.18	0.799	0.508	0.589	0.08	0.355	0.45	0.426	0.792
Compound_104	Oc1cccc(c1CC(C1(Cl)CC1)(Cn1ncnc1)O)Cl	0.582	0.807	0.708	0.819	0.366	0.618	0.114	0.295	0.457	0.426	0.792
Compound_105	CC1=NNC(=O)N(C1)N	0.102	0.354	0.098	0.315	0.092	0.238	0.001	0.072	0.424	0.001	0.217
Compound_106	O=Cc1ccc(nc1)O	0.455	0.166	0.3	0.552	0.308	0.457	0.015	0.132	0.269	0.066	0.228
Compound_107	Cn1c(=O)c(C)n[nH]c1=O	0.406	0.329	0.045	0.335	0.062	0.051	0.14	0.009	0.694	0.005	0.272
Compound_108	Cc1n[nH]c(=O)n(c1=O)N	0.285	0.31	0.136	0.359	0.143	0.119	0.033	0.02	0.662	0.003	0.285
Compound_109	CC1=NNC(=O)N(C1O)/N=C/c1cccnc1	0.16	0.438	0.605	0.355	0.053	0.329	0.009	0.018	0.408	0.01	0.249
Compound_110	O=c1ccc(c[nH]1)/C=N/n1c(=O)[nH]nc(c1=O)C	0.205	0.519	0.193	0.35	0.24	0.681	0.042	0.011	0.458	0.028	0.428
Compound_111	CC1=NNC(=O)N(C1O)/N=C/c1ccc(=O)[nH]c1	0.227	0.475	0.178	0.317	0.288	0.665	0.03	0.017	0.403	0.009	0.353
Compound_112	CC1=NNC(=O)N(C1)/N=C/c1ccc(=O)[nH]c1	0.218	0.51	0.378	0.33	0.309	0.668	0.002	0.011	0.407	0.006	0.279
Compound_113	C=C1N=NC(=O)N(C1)N	0.213	0.381	0.447	0.517	0.152	0.213	0.005	0.517	0.628	0.015	0.248
Compound_114	COC(=O)Nc1ccccc1COC1NN(CC1OC1OC(C(=O)O)C(C(C1O)O)O)c1ccc(cc1)Cl	0.539	0.694	0.58	0.568	0.5	0.663	0.031	0.518	0.371	0.412	0.513
Compound_115	COc1cc(c(cc1Cl)F)c1n[nH]c(c1Cl)OC(F)F	0.643	0.517	0.91	0.581	0.781	0.612	0.504	0.302	0.54	0.568	0.753
Compound_116	FC(Oc1n(C)nc(c1Cl)c1cc(O)c(cc1F)Cl)F	0.712	0.583	0.53	0.742	0.775	0.2	0.815	0.947	0.641	0.604	0.719
Compound_117	COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C	0.652	0.595	0.854	0.798	0.759	0.195	0.821	0.731	0.607	0.741	0.67
Compound_118	OC(=O)COc1cc(c(cc1Cl)F)c1n[nH]c(c1Cl)OC(F)F	0.524	0.463	0.405	0.554	0.77	0.577	0.497	0.12	0.418	0.222	0.771
Compound_119	COc1cc(Cl)nnc1c1ccccc1	0.792	0.788	0.95	0.71	0.273	0.604	0.873	0.724	0.913	0.189	0.889
Compound_120	CCCCCCCCSC(=O)O	0.653	0.094	0.048	0.363	0.442	0.109	0.991	0.375	0.4	0.888	0.44
Compound_121	Cc1cc(C)nc(n1)Nc1ccccc1N(=O)=O	0.905	0.629	0.976	0.613	0.563	0.394	0.016	0.996	0.33	0.364	0.887
Compound_122	Cc1nc(Nc2ccccc2)n(=O)c(c1)C	0.859	0.619	0.827	0.543	0.442	0.802	0.123	0.955	0.215	0.762	0.792
Compound_123	Cc1nc(Nc2ccc(cc2)N(=O)=O)nc(c1)C	0.941	0.663	0.983	0.652	0.407	0.875	0.009	0.994	0.222	0.767	0.813
Compound_124	COc1nccc(c1S(=O)(=O)Nc1nn2c(n1)nc(cc2O)O)C(F)(F)F	0.401	0.288	0.025	0.385	0.596	0.648	0.47	0.948	0.276	0.234	0.668
Compound_125	COc1cc(O)nc2n1nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.425	0.352	0.039	0.433	0.596	0.648	0.47	0.962	0.276	0.231	0.655
Compound_126	COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.428	0.352	0.029	0.419	0.635	0.648	0.854	0.927	0.425	0.654	0.664
Compound_127	COc1cc(O)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.46	0.352	0.039	0.426	0.596	0.648	0.47	0.911	0.276	0.231	0.655
Compound_128	N#CNS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.198	0.378	0.111	0.308	0.108	0.296	0.265	0.882	0.4	0.043	0.52
Compound_129	COc1nccc(c1S(=O)(=O)O)C(F)(F)F	0.286	0.376	0.934	0.488	0.265	0.465	0.947	0.642	0.438	0.264	0.264
Compound_130	COc1nccc(c1S(=O)(=O)N)C(F)(F)F	0.194	0.335	0.141	0.281	0.075	0.254	0.644	0.222	0.405	0.007	0.356
Compound_131	OC1=C(Cl)C(=O)c2c(C1=O)cccc2	0.476	0.522	0.525	0.686	0.261	0.81	0.994	0.735	0.582	0.595	0.982
Compound_132	O=C1C=C(N)C(=O)c2c1cccc2	0.23	0.557	0.839	0.575	0.056	0.693	0.266	0.327	0.754	0.817	0.956
Compound_133	Fc1ccc(cc1)Oc1c(O)cnc2c1c(Cl)cc(c2)Cl	0.914	0.601	0.919	0.598	0.833	0.598	0.566	0.935	0.78	0.985	0.991
Compound_134	OC(=O)[C@@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.653	0.553	0.566	0.498	0.406	0.1	0.689	0.276	0.226	0.62	0.718
Compound_135	COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N	0.481	0.448	0.228	0.249	0.181	0.523	0.016	0.08	0.383	0.047	0.341
Compound_136	COc1cc(OC)nc(n1)Nc1ncccc1S(=O)(=O)CC	0.386	0.482	0.975	0.492	0.198	0.479	0.021	0.045	0.395	0.902	0.28
Compound_137	Clc1cc(Cl)cc(c1)C1(O)C(=O)OC2(C1O)CCCCC2	0.525	0.572	0.062	0.719	0.727	0.422	0.722	0.796	0.369	0.306	0.462
Compound_138	Clc1cc(Cl)cc(c1)C1=C(O)C2(OC1=O)CCCCC2	0.861	0.712	0.078	0.736	0.856	0.811	0.993	0.855	0.563	0.134	0.653
Compound_139	Clc1cc(Cl)cc(c1)C1(O)C(=O)OC2(C1=O)CCCCC2	0.571	0.52	0.1	0.606	0.627	0.499	0.953	0.656	0.389	0.026	0.735
Compound_140	O=C1OC2(CCCCC2)C(=O)OC1c1cc(Cl)cc(c1)Cl	0.78	0.582	0.248	0.768	0.439	0.449	0.911	0.978	0.362	0.119	0.786
Compound_141	OC1CC[C@]2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C	0.232	0.555	0.022	0.333	0.051	0.413	0.325	0.038	0.374	0.009	0.141
Compound_142	O[C@@H]1CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(C)ccc1C	0.598	0.669	0.075	0.333	0.024	0.477	0.452	0.09	0.419	0.008	0.301
Compound_143	CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(=C2OC1=C(C(=O)N[C@@]21CC[C@H](CC2)OC)c1cc(C)ccc1C)c1cc(C)ccc1C	0.78	0.856	0.228	0.307	0.338	0.727	0.99	0.072	0.438	0.691	0.977
Compound_144	CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C(=O)O	0.465	0.749	0.012	0.294	0.021	0.396	0.918	0.313	0.384	0.004	0.528
Compound_145	CO[C@@H]1CC[C@@]2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C	0.347	0.727	0.011	0.293	0.078	0.453	0.4	0.111	0.377	0.034	0.644
Compound_146	CO[C@@H]1CC[C@@](CC1)(NC(=O)C(=O)c1cc(C)ccc1C)C(=O)O	0.14	0.675	0.024	0.205	0.128	0.548	0.881	0.024	0.334	0.03	0.271
Compound_147	CO[C@@H]1CC[C@@](CC1)(NC(=O)C(c1cc(C)ccc1C)O)C(=O)O	0.086	0.675	0.014	0.236	0.06	0.316	0.324	0.043	0.327	0.03	0.271
Compound_148	O=C1CCC2(CC1)NC(=O)C(=C2O)c1cc(C)ccc1C	0.534	0.669	0.199	0.337	0.016	0.46	0.641	0.102	0.413	0.006	0.453
Compound_149	O=C1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C	0.263	0.577	0.035	0.297	0.004	0.173	0.48	0.034	0.393	0.007	0.271
Compound_150	CCCN(CC(CO)O)CC	0.025	0.147	0.032	0.101	0.058	0.028	0.006	0.034	0.074	0.156	0.06
Compound_151	O=C1CCC(CC1)C(C(=O)O)(C)C	0.779	0.27	0.075	0.215	0.177	0.02	0.486	0.065	0.165	0.312	0.224
Compound_152	CCCNCC1COC2(O1)CCC(CC2)C(C(=O)O)(C)C	0.048	0.486	0.016	0.159	0.232	0.054	0.119	0.027	0.331	0.145	0.115
Compound_153	CCNCC1COC2(O1)CCC(CC2)C(C(=O)O)(C)C	0.037	0.414	0.013	0.161	0.177	0.039	0.016	0.024	0.274	0.106	0.232
Compound_154	CCCN(CC1COC2(O1)CCC(CC2)C(CO)(C)C)CC	0.113	0.509	0.023	0.167	0.274	0.413	0.012	0.332	0.328	0.13	0.135
Compound_155	COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC	0.531	0.428	0.081	0.241	0.649	0.649	0.118	0.28	0.361	0.076	0.392
Compound_156	CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2	0.345	0.348	0.004	0.178	0.366	0.643	0.017	0.118	0.334	0.002	0.363
Compound_157	CCS(=O)(=O)c1nc2n(c1S(=O)(=O)N)cccc2	0.316	0.318	0.004	0.174	0.356	0.601	0.146	0.063	0.349	0.053	0.185
Compound_158	CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2	0.338	0.298	0.002	0.142	0.394	0.612	0.017	0.047	0.387	0.004	0.214
Compound_159	CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)N)cccc2	0.313	0.298	0.002	0.139	0.348	0.596	0.017	0.064	0.338	0.004	0.189
Compound_160	OC(C(C(C)(C)C)(Cn1ncnc1)O)Cc1ccc(cc1)Cl	0.663	0.688	0.588	0.844	0.062	0.789	0.308	0.398	0.375	0.035	0.541
Compound_161	O/C(=C\C(C(C)(C)C)(Cn1ncnc1)O)/c1ccc(cc1)Cl	0.535	0.624	0.796	0.805	0.08	0.841	0.394	0.304	0.536	0.146	0.457
Compound_162	O=C(c1ccc(cc1)Cl)CC(C(C)(C)C)(Cn1ncnc1)O	0.766	0.684	0.673	0.845	0.092	0.806	0.608	0.421	0.379	0.051	0.5
Compound_163	OC(Cn1cncn1)CCc1ccc(cc1)Cl	0.708	0.657	0.776	0.87	0.029	0.821	0.132	0.179	0.32	0.005	0.335
Compound_164	O=C(Cn1cncn1)CCc1ccc(cc1)Cl	0.779	0.69	0.772	0.847	0.036	0.811	0.211	0.49	0.511	0.035	0.456
Compound_165	CC(C1(CCC(=O)O1)Cn1ncnc1)(C)C	0.466	0.598	0.132	0.659	0.046	0.345	0.029	0.63	0.374	0.283	0.332
Compound_166	OC(=O)CCC(C(C)(C)C)(Cn1cncn1)O	0.261	0.513	0.25	0.317	0.038	0.342	0.017	0.375	0.237	0.004	0.293
Compound_167	O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.336	0.608	0.257	0.197	0.079	0.874	0.026	0.719	0.399	0.425	0.442
Compound_168	O=C(c1n(C)nc(c1Cl)C(=O)C)NCc1ccc(cc1)C(C)(C)C	0.663	0.733	0.23	0.39	0.288	0.784	0.967	0.52	0.77	0.58	0.378
Compound_169	CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C(=O)O)(C)C)C	0.421	0.835	0.044	0.216	0.5	0.849	0.969	0.093	0.459	0.485	0.401
Compound_170	CCc1nn(c(c1Cl)C(=O)O)C	0.305	0.528	0.008	0.255	0.41	0.508	0.415	0.178	0.809	0.263	0.634
Compound_171	CCc1nn(c(c1Cl)C(=O)N)C	0.371	0.482	0.019	0.274	0.28	0.631	0.301	0.125	0.83	0.13	0.386
Compound_172	OC(=O)C(c1ccc(cc1)CNC(=O)c1n(C)nc(c1Cl)C(O)C)(C)C	0.468	0.704	0.029	0.23	0.453	0.774	0.554	0.038	0.416	0.614	0.428
Compound_173	NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F	0.896	0.393	0.741	0.514	0.744	0.305	0.96	0.691	0.599	0.402	0.61
Compound_174	OCc1c(F)c(F)c(c(c1F)F)C	0.626	0.075	0.194	0.562	0.141	0.059	0.846	0.661	0.416	0.862	0.28
Compound_175	Fc1c(C)c(F)c(c(c1F)C(=O)O)F	0.511	0.084	0.107	0.347	0.192	0.067	0.954	0.771	0.4	0.784	0.059
Compound_176	O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C(=O)O	0.706	0.455	0.107	0.507	0.844	0.435	0.8	0.989	0.322	0.9	0.671
Compound_177	Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F	0.617	0.349	0.083	0.507	0.826	0.042	0.992	0.915	0.286	0.987	0.898
Compound_178	Oc1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.667	0.481	0.364	0.698	0.734	0.647	0.465	0.67	0.372	0.992	0.407
Compound_179	OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O	0.422	0.451	0.092	0.403	0.702	0.639	0.459	0.076	0.407	0.824	0.201
Compound_180	O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C	0.777	0.789	0.302	0.518	0.331	0.641	0.964	0.631	0.392	0.731	0.386
Compound_181	COc1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.619	0.556	0.617	0.733	0.713	0.648	0.747	0.194	0.385	0.987	0.394
Compound_182	CCC(=N)C1=C(O)CC(CC1=O)C1CCOCC1	0.901	0.518	0.057	0.464	0.161	0.42	0.307	0.848	0.424	0.038	0.317
Compound_183	CCc1oc2c(n1)C(=O)CC(C2)C1CCOCC1	0.625	0.537	0.022	0.461	0.261	0.578	0.305	0.314	0.312	0.172	0.591
Compound_184	Nc1nc(nc(n1)O)NC(C(=O)O)(C)C	0.265	0.222	0.242	0.164	0.21	0.459	0.001	0.103	0.404	0.0	0.113
Compound_185	CCNc1nc(nc(n1)O)NC(C(=O)O)(C)C	0.392	0.28	0.378	0.137	0.221	0.463	0.0	0.239	0.389	0.041	0.143
Compound_186	Oc1nc2NC(C(n2c(=O)n1)O)(C)C	0.147	0.246	0.181	0.41	0.016	0.073	0.0	0.059	0.16	0.003	0.361
Compound_187	COC(=O)c1csc(c1S(=O)(=O)N)C	0.384	0.361	0.192	0.214	0.063	0.491	0.476	0.01	0.598	0.011	0.195
Compound_188	OC(=O)c1csc(c1S(=O)(=O)N)C	0.295	0.316	0.087	0.169	0.08	0.393	0.223	0.116	0.495	0.004	0.135
Compound_189	O=C1NS(=O)(=O)c2c1csc2C	0.391	0.374	0.053	0.207	0.061	0.46	0.504	0.023	0.481	0.1	0.119
Compound_190	COc1nn(c(=O)n1C)C(=O)N	0.127	0.174	0.09	0.244	0.09	0.22	0.0	0.003	0.441	0.004	0.422
Compound_191	OC(=O)c1sccc1S(=O)(=O)N	0.118	0.316	0.013	0.158	0.163	0.624	0.254	0.003	0.388	0.002	0.15
Compound_192	O=C(NC(=O)NS(=O)(=O)c1ccsc1C(=O)O)NC(=O)NC(=O)C	0.184	0.26	0.013	0.17	0.271	0.638	0.022	0.005	0.395	0.017	0.179
Compound_193	COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)O	0.398	0.338	0.028	0.205	0.461	0.638	0.042	0.013	0.445	0.005	0.32
Compound_194	Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O	0.301	0.278	0.032	0.201	0.482	0.634	0.021	0.017	0.437	0.005	0.261
Compound_195	O=C1NS(=O)(=O)c2c1scc2	0.578	0.374	0.045	0.245	0.13	0.667	0.435	0.176	0.402	0.076	0.132
Compound_196	COc1nc(NC(=O)N)nc(n1)C	0.406	0.148	0.369	0.256	0.041	0.085	0.001	0.006	0.823	0.008	0.091
Compound_197	COC(=O)NC(=S)Nc1ccccc1NC(=S)N	0.609	0.355	0.851	0.545	0.377	0.853	0.216	0.657	0.714	0.577	0.542
Compound_198	COC(=O)NC(=O)Nc1cccc2c1nc(s2)NC(=O)OC	0.601	0.612	0.995	0.581	0.297	0.731	0.096	0.964	0.699	0.092	0.8
Compound_199	COC(=O)NC(=S)Nc1cccc2c1nc(s2)NC(=O)OC	0.649	0.63	0.955	0.584	0.295	0.746	0.103	0.965	0.778	0.458	0.83
Compound_200	COC(=O)NC(=O)Nc1ccccc1NC(=S)NC(=O)OC	0.704	0.426	0.954	0.588	0.319	0.775	0.231	0.915	0.551	0.499	0.554
Compound_201	O=c1nc2[nH]c3c(n2c(=O)[nH]1)cccc3	0.654	0.482	0.436	0.36	0.383	0.759	0.007	0.031	0.803	0.016	0.471
Compound_202	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)O	0.875	0.468	0.887	0.475	0.729	0.273	0.977	0.005	0.801	0.964	0.71
Compound_203	COP(=O)(Oc1c(Cl)cc(cc1Cl)C)O	0.868	0.433	0.887	0.475	0.697	0.298	0.986	0.005	0.66	0.819	0.616
Compound_204	OCc1cc(Cl)c(c(c1)Cl)O	0.715	0.146	0.544	0.626	0.7	0.298	0.989	0.814	0.625	0.835	0.868
Compound_205	OCc1cc(Cl)c(c(c1)Cl)OP(=S)(OC)OC	0.788	0.513	0.96	0.689	0.765	0.262	0.965	0.7	0.643	0.924	0.577
Compound_206	COP(=S)(Oc1c(Cl)cc(cc1Cl)C(=O)O)OC	0.788	0.469	0.646	0.424	0.868	0.391	0.98	0.483	0.665	0.945	0.555
Compound_207	COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC	0.925	0.534	0.985	0.747	0.678	0.287	0.991	0.53	0.611	0.983	0.685
Compound_208	CN(S(=O)(=O)Nc1ccc(cc1)C(=O)O)C	0.133	0.346	0.149	0.447	0.09	0.635	0.182	0.321	0.363	0.014	0.434
Compound_209	CNS(=O)(=O)Nc1ccc(cc1)C(=O)O	0.169	0.243	0.753	0.471	0.096	0.6	0.073	0.901	0.28	0.018	0.382
Compound_210	OSC(Cl)(Cl)F	0.763	0.144	0.406	0.654	0.758	0.328	0.648	0.997	0.511	0.98	0.736
Compound_211	FC(S(=O)(=O)O)(Cl)Cl	0.714	0.125	0.052	0.47	0.664	0.339	0.618	0.998	0.304	0.836	0.224
Compound_212	CNS(=O)(=O)Nc1ccc(cc1)C	0.288	0.222	0.994	0.608	0.185	0.676	0.713	0.774	0.377	0.25	0.518
Compound_213	FC(=S)Cl	0.91	0.097	0.407	0.641	0.685	0.089	0.916	1.0	0.918	1.0	0.93
Compound_214	CCC(=N)C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C	0.623	0.579	0.365	0.505	0.008	0.153	0.214	0.057	0.599	0.151	0.68
Compound_215	CCc1nc2c(o1)CC(CC2=O)c1c(C)cc(cc1C)C	0.544	0.742	0.269	0.475	0.291	0.593	0.747	0.834	0.811	0.86	0.934
Compound_216	OC(=O)CC(c1c(C)cc(cc1C)C)CC(=O)O	0.268	0.1	0.099	0.188	0.041	0.021	0.182	0.011	0.577	0.12	0.069
Compound_217	CCC(=NOCC)C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C(=O)O	0.505	0.654	0.066	0.292	0.031	0.413	0.747	0.548	0.458	0.174	0.904
Compound_218	Clc1ccc(cc1)OC(C(C(C(=O)O)(C)C)O)n1cncn1	0.299	0.537	0.939	0.536	0.102	0.488	0.024	0.01	0.208	0.194	0.512
Compound_219	OC(C(n1ncnc1)Oc1ccc(cc1)Cl)C(=O)O	0.25	0.489	0.822	0.513	0.065	0.359	0.018	0.016	0.162	0.422	0.672
Compound_220	OC(C(=O)O)C(=O)n1cncn1	0.167	0.274	0.064	0.354	0.049	0.374	0.069	0.135	0.228	0.233	0.476
Compound_221	OC(=O)C(=O)n1cncn1	0.33	0.262	0.166	0.352	0.044	0.222	0.014	0.262	0.248	0.036	0.261
Compound_222	OC(C(C(=O)O)O)O	0.353	0.114	0.028	0.163	0.056	0.101	0.034	0.456	0.086	0.204	0.429
Compound_223	O=CC(C(=O)O)O	0.359	0.096	0.026	0.167	0.109	0.588	0.361	0.35	0.155	0.025	0.561
Compound_224	OC(n1cncn1)C(=O)C(=O)O	0.366	0.295	0.111	0.405	0.03	0.219	0.031	0.18	0.145	0.153	0.476
Compound_225	OC(n1cncn1)C(=O)O	0.298	0.285	0.064	0.336	0.027	0.119	0.023	0.181	0.337	0.037	0.423
Compound_226	OCn1cncn1	0.464	0.288	0.112	0.586	0.101	0.185	0.036	0.012	0.518	0.002	0.345
Compound_227	NC(n1cncn1)C(=O)O	0.073	0.295	0.083	0.333	0.037	0.089	0.0	0.017	0.258	0.005	0.535
Compound_228	OC(n1cncn1)C(C(=O)O)O	0.199	0.296	0.041	0.361	0.029	0.183	0.018	0.191	0.201	0.227	0.509
Compound_229	ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)O	0.314	0.363	0.189	0.335	0.575	0.624	0.015	0.822	0.434	0.072	0.396
Compound_230	ClCCOc1ccccc1S(=O)(=O)N	0.194	0.329	0.222	0.309	0.358	0.295	0.04	0.155	0.443	0.035	0.281
Compound_231	ClCCOc1ccccc1S(=O)(=O)NC(=O)NC(=N)NC(=O)N	0.15	0.363	0.093	0.22	0.375	0.461	0.004	0.075	0.337	0.003	0.354
Compound_232	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O	0.374	0.304	0.089	0.266	0.117	0.345	0.001	0.099	0.438	0.008	0.549
Compound_233	Clc1ccc2c(c1)n(=O)nc(n2)N	0.156	0.56	0.816	0.528	0.393	0.46	0.062	0.087	0.959	0.764	0.692
Compound_234	Clc1ccc2c(c1)nnc(n2)n1cncc1	0.414	0.628	0.757	0.625	0.336	0.668	0.183	0.11	0.95	0.308	0.578
Compound_235	CNc1nc(C)nc(n1)O	0.623	0.095	0.745	0.444	0.237	0.469	0.0	0.382	0.813	0.179	0.226
Compound_236	COP(=O)(C(C(Cl)(Cl)Cl)O)O	0.772	0.184	0.005	0.346	0.302	0.747	0.716	0.111	0.292	0.177	0.589
Compound_237	ClC(=COP(=O)(O)O)Cl	0.869	0.415	0.058	0.363	0.197	0.341	0.732	0.697	0.237	0.699	0.616
Compound_238	OC(P(=O)(O)O)C(Cl)(Cl)Cl	0.716	0.188	0.005	0.382	0.332	0.655	0.387	0.039	0.287	0.342	0.489
Compound_239	CCCOCC(=O)Nc1ccc(cc1C(F)(F)F)Cl	0.71	0.586	0.98	0.707	0.41	0.538	0.997	0.968	0.426	0.939	0.31
Compound_240	CCCOC/C(=N/c1ccc(cc1C(F)(F)F)Cl)/NC=O	0.215	0.58	0.793	0.51	0.5	0.449	0.402	0.964	0.457	0.81	0.227
Compound_241	CCCOC/C(=N/c1ccc(cc1C(F)(F)F)Cl)/N	0.317	0.467	0.32	0.68	0.553	0.413	0.97	0.876	0.449	0.27	0.253
Compound_242	O=N(=O)c1cc(cc(c1O)N(=O)=O)C(F)(F)F	0.913	0.315	0.73	0.707	0.786	0.766	0.976	0.999	0.705	0.369	0.948
Compound_243	CCCn1c(CC)n(c2c1c(cc(c2)C(F)(F)F)N(=O)=O)[O]	0.41	0.666	0.73	0.707	0.752	0.285	0.597	0.999	0.557	0.147	0.781
Compound_244	CCCn1c(CC)nc2c1c(cc(c2)C(F)(F)F)N(=O)=O	0.298	0.616	0.531	0.683	0.744	0.282	0.656	0.995	0.628	0.54	0.852
Compound_245	CCc1[nH]c2c(n1)cc(cc2N(=O)=O)C(F)(F)F	0.36	0.569	0.985	0.622	0.718	0.664	0.341	0.977	0.403	0.124	0.868
Compound_246	CCCNc1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O	0.85	0.434	0.938	0.514	0.807	0.08	0.564	0.832	0.511	0.043	0.734
Compound_247	CCCNc1c(N=Nc2cc(cc(c2NCCC)N(=O)=O)C(F)(F)F)cc(cc1N(=O)=O)C(F)(F)F	0.885	0.582	0.975	0.577	0.935	0.33	0.547	0.799	0.525	0.025	0.85
Compound_248	CCCNc1c(N)cc(cc1N(=O)=O)C(F)(F)F	0.736	0.399	0.881	0.462	0.806	0.076	0.587	0.855	0.492	0.008	0.71
Compound_249	CNc1nc(OCC(F)(F)F)nc(n1)N	0.661	0.239	0.726	0.535	0.05	0.02	0.01	0.22	0.433	0.041	0.768
Compound_250	FC(COc1nc(N)nc(n1)N)(F)F	0.693	0.226	0.632	0.579	0.059	0.037	0.006	0.179	0.449	0.061	0.819
Compound_251	O=C1NS(=O)(=O)c2c1cccc2C	0.211	0.394	0.072	0.233	0.029	0.438	0.537	0.038	0.087	0.078	0.079
Compound_252	O/C(=C\1/C(=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_253	Clc1ccc(cc1)/C=C\1/[C](O)CC([C@]1(O)Cn1cncn1)(C)C	0.58	0.808	0.967	0.857	0.434	0.698	0.141	0.852	0.383	0.151	0.425
Compound_254	Clc1ccc(cc1)/C=C\1/[C@H](O)CC([C@]1(O)Cn1cncn1)(C)C	0.58	0.808	0.967	0.857	0.434	0.698	0.141	0.852	0.383	0.151	0.425
Compound_255	Clc1ccc(cc1O)/C=C\1/CCC(C1(O)Cn1cncn1)(C)C	0.689	0.859	0.911	0.792	0.368	0.771	0.578	0.829	0.357	0.308	0.52
Compound_256	NC(=N)NC(=O)NS(=O)(=O)c1ccccc1C(F)(F)F	0.128	0.26	0.019	0.217	0.175	0.641	0.187	0.879	0.148	0.001	0.447
Compound_257	NC(c1ccc(cc1)Cl)CC(=O)O	0.107	0.172	0.054	0.209	0.118	0.111	0.013	0.003	0.189	0.001	0.116
Compound_258	O=C(c1ccc(cc1)Cl)CC(=O)O	0.716	0.161	0.44	0.244	0.488	0.578	0.996	0.047	0.427	0.038	0.098
Compound_259	OC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C	0.12	0.343	0.13	0.26	0.109	0.143	0.012	0.043	0.386	0.24	0.176
Compound_260	N#CC(c1cccc(c1)Oc1ccc(cc1)O)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.888	0.573	0.749	0.782	0.986	0.581	0.929	0.585	0.361	0.885	0.135
Compound_261	Oc1ccc(cc1)Oc1cccc(c1)C(=O)O	0.557	0.728	0.445	0.534	0.867	0.753	0.98	0.405	0.604	0.2	0.735
Compound_262	OC(=O)c1cc(Cl)c(c(c1)Cl)C	0.619	0.08	0.161	0.364	0.671	0.214	0.988	0.519	0.666	0.914	0.163
Compound_263	CCC(C(=O)C)(NC(=O)c1cc(Cl)c(c(c1)Cl)C)C	0.826	0.327	0.405	0.421	0.159	0.37	0.841	0.391	0.319	0.97	0.142
Compound_264	CCC(C(=O)C(=O)O)(NC(=O)c1cc(Cl)c(c(c1)Cl)C)C	0.512	0.336	0.115	0.291	0.114	0.265	0.926	0.115	0.25	0.56	0.065
Compound_265	C[C@H]([C@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CCC2[C@]1(C)CCC(=O)C2(C)C)C)C[C@H]([C@@H]1OC1(C)C)O	0.935	1.0	0.003	0.692	0.965	0.937	0.095	0.986	0.162	0.964	0.155
Compound_266	OC1=C2C(C)(C)C(=O)C=CC2(C)[C@@H]2C(C1=O)(C)C13OC1C[C@H]([C@@]3(CC2)C)c1ccoc1	0.834	0.99	0.052	0.626	0.665	0.764	0.537	0.917	0.414	0.424	0.775
Compound_267	CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)c1cocc1	0.74	0.673	0.544	0.53	0.144	0.286	0.915	0.595	0.738	0.886	0.376
Compound_268	OC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)CCc1ccoc1)C	0.789	0.669	0.169	0.29	0.274	0.747	0.994	0.175	0.316	0.996	0.66
Compound_269	CC(=O)c1cc2C=CC(Oc2cc1O)(C)C	0.845	0.472	0.61	0.717	0.861	0.921	0.068	0.799	0.805	0.98	0.659
Compound_270	O=C1OC[C@]23[C@H](C1)OC(C2=C(O)C(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C	0.871	0.99	0.017	0.647	0.206	0.406	0.995	0.883	0.443	0.417	0.536
Compound_271	COc1c2ccoc2c(c2c1ccc(=O)o2)OCC(C(O)(C)C)O	0.158	0.717	0.386	0.534	0.185	0.579	0.172	0.249	0.356	0.268	0.975
Compound_272	CCCCCCCCCCCCCc1cccc(c1C(=O)O)O	0.732	0.31	0.056	0.304	0.516	0.204	0.725	0.063	0.686	0.938	0.264
Compound_273	C[C@H]1CCC[C@H]2[C@]1(C)C[C@@]1(C2)C(=O)OCC1=C	0.948	0.703	0.155	0.578	0.738	0.268	0.7	0.975	0.318	1.0	0.89
Compound_274	COCC12CCC(C34C2C(OC)C(C3N(C1)CC)C1(C2C4CC(C2O)C(C1)OC)O)OC	0.499	0.676	0.004	0.219	0.393	0.445	0.01	0.091	0.128	0.273	0.687
Compound_275	OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O	0.8	0.635	0.938	0.701	0.876	0.994	0.978	0.967	0.879	0.091	0.921
Compound_276	COc1cc2oc(=O)ccc2cc1CC=C(C)C	0.764	0.661	0.943	0.722	0.663	0.437	0.363	0.946	0.977	0.817	0.95
Compound_277	CC1CCC2(C1C1C(C1(C)C)CCC2C)O	0.917	0.716	0.085	0.571	0.565	0.219	0.642	0.416	0.357	0.978	0.564
Compound_278	O=C(C(C)C)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)([C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O	0.929	0.784	0.002	0.542	0.781	0.514	0.984	0.94	0.3	0.538	0.9
Compound_279	CC1CCC2([C@@]3([C@@H]1O)OC1(C4(C3(O)C(C2(C)C1)(O)C[C@]4(O)C(C)C)C)O)O	0.959	0.881	0.002	0.445	0.876	0.674	0.345	0.232	0.48	0.941	0.299
Compound_280	COC(=O)C1=COC2C3C1C=CC13OC(=O)C(C1O2)C(O)C	0.825	0.453	0.048	0.55	0.916	0.458	0.884	0.996	0.65	0.097	0.754
Compound_281	COC(=O)CC1C2(C)C(OC3C2=C(C)C(C3)c2cocc2)C(C2C1(C)C(=O)C=CC2(C)C(=O)OC)O	0.745	0.81	0.255	0.608	0.287	0.487	0.944	0.977	0.44	0.527	0.84
Compound_282	OCC1OC(OC2OC=C3C4C2C(=CC4OC3=O)COC(=O)SC)C(C(C1O)O)O	0.678	0.633	0.007	0.464	0.786	0.65	0.735	0.695	0.444	0.661	0.112
Compound_283	Cn1c(=O)c2C=CC(Oc2c2c1cccc2)(C)C	0.605	0.7	0.344	0.632	0.159	0.666	0.733	0.434	0.8	0.5	0.39
Compound_284	Oc1ccc(cc1)C([C@@H](c1coc2c(c1=O)c(O)cc(c2)O)C(=O)c1c(O)cc(cc1O)O)c1ccc(cc1)O	0.894	0.868	0.883	0.579	0.99	0.984	0.996	0.923	0.565	0.166	0.962
Compound_285	CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1occ(c2=O)c1ccc(cc1)O)O)C	0.761	0.68	0.658	0.765	0.578	0.71	0.99	0.969	0.864	0.784	0.993
Compound_286	O[C@H]1C2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.842	0.904	0.022	0.506	0.812	0.677	0.671	0.169	0.414	0.897	0.409
Compound_287	COC[C@]12CCC(C34[C@@H]2C(OC)C(C3N(C1)CC)[C@@]1([C@@H]2[C@H]4CC([C@@H]2O)[C@H]([C@@H]1O)OC)O)O	0.414	0.697	0.017	0.231	0.434	0.484	0.022	0.119	0.13	0.316	0.649
Compound_288	CC1=CCC(CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_289	COc1c(CC=C(C)C)c(=O)n(c2c1cccc2O)C	0.647	0.564	0.699	0.676	0.462	0.797	0.352	0.947	0.643	0.123	0.284
Compound_290	C=CCC12C=C(OC)C(=O)C=C1OC(C2C)c1ccc2c(c1)OCO2	0.758	0.664	0.951	0.596	0.577	0.715	0.747	0.915	0.318	0.596	0.657
Compound_291	CCCC(C1(CC)C(=O)NC(=NC1=O)[O-])C	0.11	0.426	0.129	0.435	0.048	0.261	0.001	0.088	0.422	0.361	0.334
Compound_292	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.987	1.0	0.028	0.862	0.938	0.904	0.01	0.924	0.049	0.989	0.179
Compound_293	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.928	0.98	0.027	0.653	0.938	0.915	0.04	0.712	0.184	0.987	0.615
Compound_294	O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	0.88	0.93	0.024	0.488	0.093	0.395	0.007	0.17	0.173	0.906	0.416
Compound_295	CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1	0.241	0.641	0.061	0.277	0.458	0.712	0.398	0.131	0.279	0.017	0.68
Compound_296	O=C1CC[C@]2(C(=C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C)C	0.984	1.0	0.019	0.828	0.941	0.938	0.102	0.581	0.06	0.996	0.168
Compound_297	Clc1ccccc1CC(N)(C)C	0.165	0.203	0.213	0.491	0.075	0.198	0.914	0.062	0.551	0.398	0.057
Compound_298	O=c1cc(n(n1c1ccccc1)C)C	0.053	0.293	0.061	0.282	0.138	0.196	0.031	0.017	0.672	0.027	0.16
Compound_299	CCC(C#C)(C=CCl)O	0.83	0.207	0.635	0.578	0.545	0.242	0.8	0.781	0.668	0.862	0.858
Compound_300	Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C	0.331	0.792	0.187	0.304	0.536	0.879	0.005	0.695	0.219	0.03	0.66
Compound_301	CCC(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)OC(=O)C	0.498	0.629	0.033	0.15	0.174	0.437	0.003	0.239	0.269	0.005	0.368
Compound_302	CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=O)CC1)(C)C)(C)C	0.576	0.569	0.079	0.552	0.935	0.936	0.65	0.204	0.496	0.995	0.751
Compound_303	CN[C@H]([C@H](c1ccccc1)O)C	0.002	0.183	0.036	0.131	0.002	0.006	0.001	0.008	0.038	0.048	0.087
Compound_304	II	0.913	0.304	0.752	0.566	0.757	0.156	0.686	0.866	0.826	1.0	0.645
Compound_305	[O-][Mn](=O)(=O)=O	0.9	0.148	0.446	0.53	0.652	0.06	0.442	0.857	0.914	0.992	0.907
Compound_306	O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.971	0.99	0.09	0.77	0.978	0.887	0.006	0.96	0.264	0.993	0.452
Compound_307	CSCC[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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1nc[nH]c1)NC(=O)[C@H](CC(=O)O)N	0.568	0.558	0.004	0.233	0.56	0.724	0.685	0.057	0.403	0.499	0.312
Compound_308	CC(=Cc1ccccc1)N(=O)=O	0.807	0.355	0.691	0.557	0.121	0.865	0.995	0.925	0.915	0.994	0.917
Compound_309	N#CC1(CCCCC1)N1CCCCC1	0.72	0.413	0.079	0.278	0.108	0.282	0.0	0.591	0.528	0.028	0.69
Compound_310	CCC(=O)O[C@@]1(CCN(C[C@H]1C)C)c1ccccc1	0.057	0.42	0.023	0.148	0.03	0.037	0.001	0.033	0.181	0.171	0.208
Compound_311	Clc1ccc2c(c1)[C@@H](C)CNCC2	0.039	0.088	0.451	0.357	0.093	0.098	0.001	0.015	0.298	0.201	0.168
Compound_312	OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C	0.042	0.469	0.006	0.038	0.019	0.024	0.001	0.008	0.073	0.003	0.074
Compound_313	[O-][Mn](=O)(=O)=O	0.9	0.148	0.446	0.53	0.652	0.06	0.442	0.857	0.914	0.992	0.907
Compound_314	CCOC(c1ccccc1)(c1ccccc1)C(=O)OCCN(C)C	0.051	0.459	0.028	0.213	0.056	0.08	0.014	0.004	0.273	0.0	0.027
Compound_315	Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1	0.341	0.679	0.589	0.437	0.642	0.646	0.949	0.911	0.626	0.224	0.327
Compound_316	CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1cccs1	0.782	0.556	0.046	0.15	0.27	0.786	0.038	0.922	0.371	0.349	0.074
Compound_317	C[C@@]12CC[C@H]3[C@H]([C@@H]2CC[C@@H]1OC1CCCCO1)CC[C@@H]1[C@]3(C)Cc2cn[nH]c2C1	0.666	0.862	0.003	0.51	0.88	0.684	0.13	0.422	0.511	0.032	0.696
Compound_318	CC[C@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.979	1.0	0.058	0.76	0.941	0.938	0.102	0.98	0.127	0.996	0.733
Compound_319	CN1CCCC[C@@H]1Cn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.774	0.737	0.228	0.346	0.396	0.345	0.965	0.025	0.593	0.038	0.347
Compound_320	O=C(Nc1c2CCCCc2nc2c1c(C)c(o2)C)CN1CCCC1=O	0.359	0.542	0.73	0.443	0.377	0.586	0.069	0.385	0.327	0.062	0.17
Compound_321	COc1ccc2c(c1)c(CCN(C)C)co2	0.053	0.536	0.207	0.336	0.041	0.449	0.007	0.023	0.456	0.091	0.127
Compound_322	CN1CC[C@]23[C@@H]4[C@H]1Cc1c2c(O[C@@]3(C)C(=O)CC4)c(cc1)O	0.653	0.769	0.017	0.278	0.1	0.351	0.034	0.221	0.061	0.006	0.632
Compound_323	O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)c1ccccc1)C	0.942	0.995	0.331	0.804	0.891	0.977	0.165	0.807	0.154	0.998	0.15
Compound_324	CC[C@H](C(c1ccccc1)(c1ccccc1)C[C@H](N(C)C)C)OC(=O)C	0.498	0.629	0.033	0.15	0.174	0.437	0.003	0.239	0.269	0.005	0.368
Compound_325	CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C(C(=O)CC[C@]12C)Cl	0.983	1.0	0.014	0.809	0.98	0.908	0.224	0.987	0.186	0.999	0.254
Compound_326	NC1(CCCCC1)c1ccccc1	0.391	0.268	0.18	0.489	0.032	0.656	0.204	0.027	0.452	0.039	0.073
Compound_327	COc1ccc(cc1)C(=O)c1c[nH]c2c1cccc2	0.519	0.801	0.981	0.639	0.63	0.7	0.38	0.197	0.923	0.454	0.978
Compound_328	[O-]C(=O)C[N+](C)(C)C	0.162	0.044	0.022	0.25	0.037	0.0	0.003	0.58	0.065	0.001	0.087
Compound_329	CC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.383	0.566	0.076	0.208	0.148	0.837	0.001	0.029	0.406	0.398	0.08
Compound_330	FCCCCCn1cc(c2c1cc(cc2)N(=O)=O)C(=O)c1cccc2c1cccc2	0.79	0.642	0.822	0.58	0.874	0.584	0.995	0.908	0.715	0.874	0.754
Compound_331	CCOC(=O)C1(CCN(CC1)CCOCc1ccccc1)c1ccccc1	0.134	0.603	0.061	0.232	0.157	0.105	0.051	0.109	0.255	0.027	0.21
Compound_332	CCN(CCn1c(Cc2ccc(cc2)Cl)nc2c1ccc(c2)N(=O)=O)CC	0.24	0.65	0.636	0.25	0.807	0.623	0.124	0.777	0.396	0.971	0.818
Compound_333	Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1F	0.885	0.725	0.947	0.789	0.682	0.895	0.95	0.272	0.763	0.128	0.621
Compound_334	CCCOc1c(OC)cc(cc1OC)CCN	0.115	0.222	0.352	0.537	0.063	0.147	0.011	0.055	0.603	0.006	0.06
Compound_335	CNCCc1ccc2c(c1)OCO2	0.098	0.413	0.687	0.281	0.009	0.308	0.003	0.021	0.158	0.315	0.187
Compound_336	CCCCCCCCCCCCCC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OCc1ccccc1	0.753	0.779	0.077	0.188	0.396	0.642	0.393	0.169	0.185	0.045	0.876
Compound_337	CN1CC[C@]23[C@@H]4[C@H]1Cc1c2c(O[C@H]3[C@@](CC4)(C)O)c(cc1)O	0.543	0.789	0.015	0.336	0.332	0.221	0.026	0.098	0.057	0.049	0.562
Compound_338	O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C=C1C)C)CC[C@]1([C@H]3CC[C@@H]1O)C	0.981	0.977	0.039	0.758	0.946	0.913	0.024	0.998	0.079	0.996	0.767
Compound_339	CN(C1(CCCCC1)CNC(=O)c1ccc(c(c1)Cl)Cl)C	0.169	0.376	0.54	0.258	0.023	0.371	0.051	0.896	0.446	0.001	0.123
Compound_340	CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC	0.967	1.0	0.057	0.681	0.949	0.898	0.645	0.985	0.182	0.996	0.733
Compound_341	Oc1cccc(c1)C1(CCCCC1)N1CCCCC1	0.253	0.392	0.729	0.329	0.189	0.636	0.004	0.489	0.174	0.078	0.379
Compound_342	COc1ccc(cc1C(=O)O)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)N	0.405	0.574	0.883	0.405	0.514	0.736	0.998	0.094	0.449	0.622	0.648
Compound_343	O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C	0.516	0.625	0.611	0.62	0.899	0.832	0.976	0.714	0.345	0.073	0.406
Compound_344	O=C(Nc1c(C)cccc1C)CN1CCCCC1	0.038	0.389	0.04	0.18	0.014	0.012	0.0	0.005	0.323	0.098	0.015
Compound_345	CCC(c1ccccc1)NC	0.109	0.159	0.214	0.383	0.004	0.185	0.013	0.081	0.533	0.519	0.036
Compound_346	CCCCCn1ccc2c1cccc2	0.797	0.602	0.562	0.588	0.138	0.506	0.577	0.967	0.934	0.605	0.415
Compound_347	CCC(=O)N1CCN(CC1)C(=O)c1ccccc1	0.043	0.382	0.402	0.537	0.001	0.297	0.001	0.06	0.249	0.322	0.204
Compound_348	CCCCCCc1nn(c(n1)c1ccc(cc1)Cl)c1ccc(cc1Cl)Cl	0.684	0.657	0.573	0.715	0.653	0.81	0.967	0.794	0.898	0.339	0.383
Compound_349	CC1CNCCN1Cc1ccccc1	0.004	0.294	0.009	0.161	0.001	0.072	-0.0	0.017	0.217	0.002	0.038
Compound_350	O=C1C=C[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	1.001	0.885	0.123	0.717	0.946	0.956	0.016	0.762	0.13	0.998	0.916
Compound_351	CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1ccc(c2)OC	0.769	0.75	0.632	0.694	0.761	0.888	0.991	0.553	0.631	0.208	0.733
Compound_352	ONC(=O)CS(=O)C(c1ccc(cc1)F)c1ccc(cc1)F	0.67	0.349	0.925	0.407	0.385	0.38	0.877	0.346	0.397	0.252	0.515
Compound_353	COC=C([C@H]1C[C@H]2N(C[C@H]1CC)CCc1c2[nH]c2c1c(OC)ccc2)C(=O)OC	0.589	0.732	0.436	0.285	0.69	0.679	0.513	0.639	0.383	0.872	0.907
Compound_354	COc1cc(F)c(cc1CC(N)C)OC	0.269	0.147	0.677	0.669	0.032	0.058	0.003	0.048	0.623	0.19	0.149
Compound_355	CC1NCC(OC1c1ccccc1)C	0.013	0.466	0.067	0.201	0.004	0.019	0.0	0.013	0.103	0.021	0.109
Compound_356	CCN(C(C(=O)c1ccc(cc1)C)C)CC	0.062	0.329	0.27	0.074	0.009	0.136	0.001	0.115	0.2	0.455	0.082
Compound_357	NCCc1cc(OC)c(c(c1)OC)OCC(=C)C	0.272	0.529	0.122	0.57	0.063	0.147	0.011	0.137	0.637	0.01	0.176
Compound_358	CCOc1c(OC)cc(cc1OC)CC(N)C	0.099	0.141	0.64	0.508	0.057	0.162	0.01	0.134	0.667	0.046	0.142
Compound_359	CCCCCn1cc(cc1c1ccc(cc1)F)C(=O)c1cccc2c1cccc2	0.817	0.548	0.913	0.766	0.592	0.577	0.987	0.929	0.825	0.318	0.508
Compound_360	NCCc1cc(OC)c(cc1OC)F	0.27	0.22	0.438	0.625	0.024	0.037	0.009	0.028	0.427	0.004	0.056
Compound_361	CCNC(C(=O)c1ccc2c(c1)OCO2)CC	0.08	0.343	0.853	0.21	0.022	0.407	0.007	0.261	0.212	0.119	0.291
Compound_362	COc1ccc(c(c1)CCNCc1ccccc1O)OC	0.086	0.532	0.187	0.414	0.208	0.23	0.052	0.069	0.225	0.002	0.052
Compound_363	CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C	0.282	0.35	0.842	0.397	0.108	0.126	0.134	0.041	0.5	0.708	0.365
Compound_364	COc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C	0.264	0.792	0.041	0.253	0.215	0.809	0.007	0.368	0.273	0.013	0.586
Compound_365	COc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C	0.264	0.792	0.041	0.253	0.215	0.809	0.007	0.368	0.273	0.013	0.586
Compound_366	CC[C@H](C(c1ccccc1)(c1ccccc1)C[C@H](N(C)C)C)O	0.101	0.481	0.031	0.178	0.059	0.499	0.001	0.086	0.084	0.007	0.393
Compound_367	C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C	0.977	0.969	0.05	0.685	0.969	0.901	0.082	0.709	0.397	0.996	0.709
Compound_368	CCC[C@]([C@H]1C[C@]23C=C[C@]1(OC)[C@H]1[C@]43CCN([C@@H]2Cc2c4c(O1)c(O)cc2)C)(O)C	0.657	0.789	0.014	0.323	0.596	0.46	0.05	0.717	0.177	0.833	0.92
Compound_369	O=C1CN=C(c2c(N1CC1CC1)ccc(c2)N(=O)=O)c1ccccc1Cl	0.88	0.602	0.811	0.737	0.441	0.792	0.994	0.75	0.773	0.696	0.326
Compound_370	O=C1CC[C@]2(C(=C1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.968	1.0	0.01	0.804	0.687	0.884	0.009	0.875	0.048	0.861	0.048
Compound_371	CCC[C@]([C@H]1C[C@]23CC[C@]1(OC)[C@H]1[C@]43CCN([C@@H]2Cc2c4c(O1)c(O)cc2)C)(O)C	0.47	0.807	0.012	0.389	0.724	0.275	0.221	0.205	0.136	0.903	0.915
Compound_372	CCC[C@]([C@H]1C[C@]23C=C[C@]1(OC)[C@H]1[C@]43CCN([C@@H]2Cc2c4c(O1)c(cc2)OC(=O)C)C)(O)C	0.678	0.819	0.011	0.234	0.5	0.467	0.323	0.588	0.202	0.658	0.803
Compound_373	CO[C@]12C=C[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O	0.655	0.709	0.062	0.375	0.814	0.47	0.089	0.801	0.268	0.835	0.77
Compound_374	COC(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccc(cc1)F	0.249	0.635	0.279	0.248	0.023	0.107	0.049	0.07	0.18	0.061	0.364
Compound_375	CC(Cc1ccc(cc1)C)N	0.076	0.099	0.488	0.408	0.007	0.12	0.008	0.04	0.632	0.289	0.02
Compound_376	NC1Cc2c(C1)c1OCOc1cc2	0.33	0.407	0.883	0.433	0.18	0.566	0.005	0.089	0.25	0.755	0.638
Compound_377	CCNC(Cc1ccc2c(c1)occ2)C	0.015	0.443	0.162	0.311	0.003	0.506	0.096	0.048	0.14	0.727	0.31
Compound_378	COc1ccc(cc1)CNCCc1cc(OC)c(cc1OC)Cl	0.119	0.486	0.37	0.467	0.5	0.658	0.01	0.069	0.31	0.01	0.24
Compound_379	O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=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_380	OC(=O)[C@@H]1N2[C@H](O/C/1=C\CO)CC2=O	0.251	0.35	0.013	0.197	0.407	0.194	0.115	0.298	0.099	0.307	0.824
Compound_381	O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C	0.494	0.458	0.568	0.658	0.712	0.43	0.1	0.018	0.471	0.016	0.588
Compound_382	Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1	0.068	0.46	0.052	0.288	0.803	0.217	0.039	0.129	0.458	0.001	0.059
Compound_383	CCC[C@H]1CN(C(=O)C1)[C@H](C(=O)N)CC	0.059	0.317	0.016	0.264	0.017	0.025	0.001	0.105	0.31	0.2	0.234
Compound_384	NC(=O)OC[C@H](c1ccccc1Cl)O	0.105	0.301	0.13	0.313	0.477	0.312	0.159	0.004	0.102	0.018	0.183
Compound_385	O=C(N1C[C@H](C[C@H]1C(=O)O)Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C	0.245	0.539	0.147	0.382	0.5	0.539	0.849	0.23	0.338	0.786	0.099
Compound_386	OCCN1C(=O)C(O)N=C(c2c1ccc(c2)Cl)c1ccccc1F	0.834	0.574	0.862	0.756	0.667	0.888	0.467	0.213	0.493	0.048	0.506
Compound_387	O=C(CS(=O)Cc1ccco1)NCC=CCOc1nccc(c1)CN1CCCCC1	0.449	0.516	0.089	0.253	0.038	0.64	0.007	0.666	0.405	0.706	0.087
Compound_388	CN(Cc1ccc(o1)CSCCN/C(=C/N(=O)=O)/NCc1ccc2c(c1)OCO2)C	0.248	0.629	0.034	0.268	0.283	0.601	0.018	0.04	0.347	0.695	0.635
Compound_389	C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_390	NCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CO)CCCCN)C(=O)N)CO)[C@H](O)C	0.728	0.688	0.001	0.29	0.737	0.696	0.002	0.026	0.404	0.084	0.513
Compound_391	CCC1(C(=O)NC(=O)NC1=O)C1=CC2CC(C1)CC2	0.667	0.626	0.104	0.387	0.206	0.343	0.009	0.879	0.266	0.024	0.419
Compound_392	CCCOC(=O)c1ccc(cc1)C	0.347	0.125	0.942	0.634	0.054	0.228	0.991	0.019	0.437	0.315	0.372
Compound_393	N#Cc1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(cc1)F	0.406	0.551	0.051	0.199	0.543	0.22	0.026	0.083	0.73	0.026	0.839
Compound_394	CC[N+](C(CC(c1ccccc1)c1ccccc1)C)(C)C	0.122	0.605	0.077	0.522	0.059	0.507	0.042	0.088	0.175	0.008	0.114
Compound_395	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.609	0.079	0.051	0.377	0.05	0.078	0.038	0.041	0.095	0.302	0.075
Compound_396	OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	0.952	1.0	0.616	0.888	0.141	0.098	0.022	0.278	0.208	0.016	0.156
Compound_397	CC(=C)CNc1ccc(cc1)[C@@H](C(=O)O)C	0.099	0.398	0.067	0.307	0.116	0.111	0.0	0.035	0.173	0.025	0.647
Compound_398	CN1CCN2[C@@H](C1)c1cccn1Cc1c2cccc1	0.404	0.751	0.055	0.104	0.217	0.56	0.028	0.0	0.551	0.02	0.133
Compound_399	O[C@@H](COc1cccc2c1oc(c2)C(=O)C)CNC(C)C	0.031	0.571	0.746	0.238	0.001	0.086	0.193	0.005	0.202	0.023	0.268
Compound_400	O[C@H](COc1cc(Cl)ccc1Cl)CNC(C)(C)C	0.018	0.393	0.196	0.184	0.352	0.352	0.002	0.003	0.361	0.034	0.114
Compound_401	N#Cc1ccc2c(c1)N(C[C@@H](CN(C)C)C)c1c(S2)cccc1	0.065	0.736	0.02	0.123	0.903	0.233	0.345	0.017	0.511	0.468	0.679
Compound_402	CCN([C@H](C=C(c1cccs1)c1cccs1)C)CC	0.394	0.597	0.403	0.25	0.3	0.868	0.975	0.687	0.847	0.981	0.833
Compound_403	CN([C@H](C=C(c1cccs1)c1cccs1)C)C	0.422	0.566	0.391	0.345	0.266	0.839	0.588	0.952	0.716	0.962	0.936
Compound_404	CCc1ccc(cc1)C(=O)[C@@H](CN1CCCCC1)C	0.214	0.159	0.052	0.078	0.008	0.254	0.015	0.859	0.138	0.476	0.055
Compound_405	C[C@H](Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C	0.195	0.653	0.013	0.229	0.093	0.509	0.03	0.016	0.189	0.115	0.08
Compound_406	COc1ccc(cc1OC1CCCC1)/C(=N/OC(=O)N)/C	0.282	0.367	0.391	0.312	0.414	0.65	0.227	0.076	0.308	0.327	0.311
Compound_407	O=C([C@](c1ccccc1)(C1CCCC1)O)O[C@H]1CC[N+](C1)(C)C	0.043	0.554	0.017	0.533	0.065	0.038	0.015	0.011	0.058	0.0	0.046
Compound_408	OC(=O)[C@H](c1ccc(cc1)c1ccccc1)C	0.057	0.481	0.042	0.259	0.121	0.131	0.964	0.043	0.384	0.307	0.228
Compound_409	C[N+]1(C)CCN(CC1)C[C@@](c1ccccc1)(C1CCCCC1)O	0.038	0.435	0.017	0.165	0.042	0.221	0.001	0.004	0.22	0.001	0.08
Compound_410	O[C@@H](c1cc(O)cc(c1)O)CNC(C)C	0.023	0.253	0.005	0.024	0.029	0.004	0.001	0.005	0.442	0.0	0.005
Compound_411	NC[C@@H]1C[C@]1(c1ccccc1)C(=O)N(CC)CC	0.012	0.435	0.058	0.472	0.009	0.079	0.001	0.005	0.286	0.188	0.2
Compound_412	OC(=O)[C@H](c1ccc(cc1)C=C1CCCCC1=O)C	0.442	0.556	0.042	0.551	0.261	0.467	0.143	0.906	0.058	0.987	0.412
Compound_413	O[C@@H](Cn1ccnc1N(=O)=O)CN1CCCCC1	0.175	0.338	0.066	0.167	0.42	0.505	0.009	0.055	0.161	0.033	0.5
Compound_414	COc1ccc(cc1Cc1cnc2c(c1C)c(N)nc(n2)N)OC	0.448	0.539	0.916	0.583	0.412	0.492	0.047	0.633	0.668	0.568	0.904
Compound_415	Cc1ccc2c(c1)c1CCC[C@H]3c1n2CCN3	0.499	0.423	0.855	0.339	0.278	0.572	0.068	0.009	0.511	0.007	0.057
Compound_416	C[C@H]1CCC2=C(C1)c1c(OC(=O)C)cc(cc1OC2(C)C)C	0.779	0.666	0.379	0.538	0.82	0.287	0.913	0.623	0.855	0.995	0.176
Compound_417	C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	0.079	0.756	0.957	0.342	0.5	0.533	0.023	0.048	0.416	0.126	0.087
Compound_418	O=C1NOC[C@@H]1/N=C/c1ccc(cc1)/C=N/[C@@H]1CONC1=O	0.222	0.415	0.92	0.502	0.122	0.395	0.03	0.025	0.363	0.733	0.531
Compound_419	O[C@@H](COc1cccc2c1SCCC2)CNC(C)(C)C	0.104	0.636	0.011	0.093	0.469	0.409	0.04	0.003	0.347	0.141	0.212
Compound_420	COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1OC	0.317	0.777	0.508	0.493	0.4	0.898	0.912	0.568	0.477	0.774	0.384
Compound_421	Oc1ccc(cc1)C[C@@H]1NCCc2c1cc(O)c(c2)O	0.118	0.472	0.049	0.295	0.332	0.238	0.004	0.265	0.375	0.007	0.221
Compound_422	COc1cc(OC)ccc1C=C1CCCN=C1c1cccnc1	0.6	0.736	0.842	0.574	0.447	0.681	0.002	0.077	0.737	0.005	0.639
Compound_423	CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C	0.666	0.751	0.821	0.753	0.112	0.816	0.636	0.949	0.426	0.16	0.109
Compound_424	COc1cc2cc(oc2c(c1)Br)C1CCNCC1	0.075	0.456	0.926	0.356	0.683	0.642	0.061	0.332	0.331	0.035	0.362
Compound_425	C1CN=C(N1)COc1ccccc1C1CC1	0.041	0.428	0.022	0.182	0.06	0.139	0.002	0.021	0.228	0.087	0.087
Compound_426	CC(c1cccc(c1NC(=O)CN(CC(=O)O)CC(=O)O)C(C)C)C	0.051	0.261	0.015	0.095	0.099	0.011	0.026	0.004	0.511	0.012	0.099
Compound_427	N1CCN(CC1)c1cccc2c1OCCO2	0.032	0.468	0.035	0.307	0.171	0.111	0.003	0.042	0.447	0.335	0.217
Compound_428	Clc1cccc(c1)NC(=O)N=C1N=C(CN1C)O	0.446	0.399	0.91	0.606	0.456	0.637	0.043	0.165	0.369	0.009	0.376
Compound_429	CSc1ccc(cc1)OCc1ncc(n1C)N(=O)=O	0.19	0.551	0.295	0.523	0.356	0.499	0.054	0.32	0.267	0.247	0.891
Compound_430	OC[C@@H]1O[C@@H]([C@@H]([C@H]1O)F)n1cc(C)c(=O)[nH]c1=O	0.696	0.189	0.011	0.403	0.085	0.052	0.031	0.056	0.129	0.012	0.845
Compound_431	NC(=N)c1ccc(cc1)/C=C/c1ccc(cc1O)C(=N)N	0.664	0.611	0.807	0.644	0.356	0.857	0.089	0.986	0.664	0.441	0.561
Compound_432	CCN[C@@H](Cc1cccc(c1)C(F)(F)F)C	0.049	0.263	0.105	0.308	0.03	0.098	0.027	0.02	0.058	0.4	0.082
Compound_433	CN1C[C@H]2[C@H]3CC(=O)N[C@]2(CC1)Oc1c3cc(Cl)cc1	0.412	0.626	0.531	0.238	0.039	0.535	0.013	0.083	0.327	0.479	0.256
Compound_434	ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl	0.53	0.251	0.058	0.243	0.773	0.051	0.0	0.688	0.3	0.059	0.918
Compound_435	Clc1cccc(c1)N1CCN(CC1)CCc1n[nH]c(c1)C	0.149	0.678	0.687	0.134	0.768	0.702	0.298	0.628	0.462	0.003	0.083
Compound_436	Nc1nc(C)c(c(n1)N)c1ccc(c(c1)Cl)Cl	0.713	0.698	0.851	0.62	0.354	0.7	0.454	0.952	0.545	0.305	0.101
Compound_437	N[C@@H](C(=O)O)Cc1ccccc1	0.053	0.105	0.015	0.151	0.01	0.017	0.006	0.002	0.09	0.0	0.01
Compound_438	Fc1cc2[C@]3(CCOc2cc1)NC(=O)NC3=O	0.505	0.509	0.841	0.431	0.146	0.524	0.546	0.08	0.53	0.184	0.544
Compound_439	CCN(CCOc1ccc(cc1)Cc1ccccc1)CC	0.158	0.478	0.23	0.425	0.442	0.904	0.004	0.196	0.054	0.087	0.087
Compound_440	CC(=CCn1cnc(c2c1ncn2)N)C	0.373	0.589	0.781	0.627	0.25	0.41	0.009	0.945	0.954	0.112	0.177
Compound_441	Cc1ccc(c(c1)OCC1=NCCN1)C(C)C	0.031	0.43	0.165	0.26	0.023	0.081	0.0	0.03	0.219	0.036	0.024
Compound_442	Clc1ccc(cc1)[C@H]1OCc2c1cnc(c2O)C	0.463	0.645	0.398	0.392	0.241	0.338	0.011	0.247	0.432	0.55	0.949
Compound_443	Clc1ccc2c(c1)[C@H]1CN(C[C@@H]1c1c(O2)cccc1)C	0.083	0.548	0.63	0.169	0.251	0.6	0.028	0.055	0.282	0.993	0.918
Compound_444	Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H](C=C1)CO	0.505	0.219	0.035	0.471	0.227	0.353	0.029	0.654	0.296	0.001	0.362
Compound_445	Fc1ccc(cc1)Cn1c(NC2CCNCC2)nc2c1cccc2	0.1	0.425	0.557	0.309	0.6	0.861	0.335	0.359	0.692	0.055	0.336
Compound_446	O=C1NC(=O)[C@@]2(N1)C[C@H](Oc1c2cc(F)cc1)C(=O)N	0.567	0.493	0.791	0.288	0.063	0.413	0.821	0.021	0.476	0.148	0.5
Compound_447	Clc1ccc(c(c1)c1nc(N)nc(n1)N)Cl	0.436	0.745	0.964	0.686	0.617	0.79	0.101	0.11	0.864	0.277	0.087
Compound_448	Clc1ccc(cc1Cl)[C@@]12CNC[C@H]2C1	0.03	0.506	0.292	0.443	0.144	0.393	0.004	0.347	0.425	0.583	0.178
Compound_449	CC[C@@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O	0.471	0.721	0.251	0.318	0.639	0.639	0.947	0.126	0.163	0.087	0.851
Compound_450	C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1	0.695	0.441	0.133	0.149	0.362	0.516	0.063	0.466	0.738	0.73	0.157
Compound_451	O=C(Nc1c(C)cccc1C)CN1CCCC1=O	0.043	0.421	0.351	0.444	0.029	0.009	0.013	0.038	0.293	0.13	0.038
Compound_452	CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N	0.851	0.705	0.912	0.703	0.287	0.881	0.896	0.167	0.72	0.868	0.899
Compound_453	Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2	0.419	0.856	0.729	0.497	0.074	0.898	0.396	0.371	0.52	0.037	0.13
Compound_454	COc1nc(c(c(c1Cl)OC)Cl)C(Cl)(Cl)Cl	0.517	0.352	0.838	0.643	0.39	0.537	0.902	0.858	0.396	0.832	0.54
Compound_455	CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O	0.43	0.675	0.635	0.123	0.781	0.681	0.04	0.042	0.195	0.405	0.972
Compound_456	COc1ccc(nn1)N1CCN(CC1)c1cccc(c1)C	0.181	0.71	0.946	0.496	0.086	0.671	0.013	0.789	0.619	0.021	0.045
Compound_457	O=C1[C@H](CCc2c1c1cccc3c1n2CCC3)Cn1ccnc1C	0.453	0.696	0.533	0.511	0.289	0.692	0.796	0.302	0.414	0.134	0.181
Compound_458	Fc1ccc(cc1)CC1CCN(CC1)C[C@H](c1ccc(cc1)Cl)O	0.022	0.24	0.178	0.167	0.374	0.471	0.003	0.018	0.41	0.894	0.071
Compound_459	CC(C(=O)c1c(nn2c1cccc2)C(C)C)C	0.225	0.6	0.068	0.459	0.211	0.184	0.004	0.025	0.058	0.157	0.638
Compound_460	O=C1CN2[C@@H](N1)CCC2=O	0.039	0.352	0.052	0.276	0.066	0.037	0.0	0.061	0.267	0.442	0.158
Compound_461	C[C@H](CCc1ccccc1)NC[C@@H](c1ccc(c(c1)C(=O)N)O)O	0.053	0.64	0.001	0.039	0.138	0.729	0.017	0.007	0.123	0.004	0.029
Compound_462	O=C1[C@H](CCc2c1c1ccccc1n2C)Cn1ccnc1C	0.435	0.735	0.142	0.425	0.286	0.696	0.798	0.155	0.058	0.027	0.354
Compound_463	NCC[C@@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F	0.111	0.466	0.072	0.509	0.694	0.923	0.749	0.023	0.053	0.002	0.364
Compound_464	OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C	0.425	0.726	0.325	0.371	0.58	0.461	0.187	0.223	0.432	0.007	0.643
Compound_465	N#CC(=NNc1ccc(cc1)C1=NNC(=O)C[C@@H]1C)C#N	0.897	0.501	0.573	0.432	0.526	0.623	0.987	0.214	0.338	0.008	0.918
Compound_466	OC(=O)CCc1c([nH]c2c1c(Cl)cc(c2)Cl)C(=O)O	0.414	0.356	0.218	0.401	0.83	0.629	0.77	0.092	0.361	0.103	0.333
Compound_467	Cc1cc2c(s1)nc(nc2c1ccccc1F)N1CCNCC1	0.316	0.468	0.185	0.535	0.345	0.81	0.823	0.487	0.601	0.053	0.106
Compound_468	O=C(c1cnn2c1nccc2c1ccncc1)c1ccccn1	0.332	0.754	0.6	0.677	0.583	0.658	0.967	0.809	0.671	0.02	0.688
Compound_469	Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1	0.221	0.611	0.21	0.504	0.527	0.679	0.636	0.397	0.582	0.02	0.726
Compound_470	OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1	0.735	0.444	0.449	0.249	0.277	0.859	0.009	0.056	0.694	0.01	0.233
Compound_471	C#Cc1c[nH]c(=O)[nH]c1=O	0.214	0.451	0.134	0.323	0.062	0.213	0.046	0.037	0.604	0.144	0.807
Compound_472	CCCN(n1cc(c2c1cccc2)C)c1ccncc1F	0.252	0.69	0.958	0.578	0.5	0.403	0.657	0.68	0.841	0.021	0.28
Compound_473	Fc1ccc(cc1)Cc1ccc(s1)C#C[C@H](N(C(=O)N)O)C	0.379	0.264	0.087	0.4	0.348	0.8	0.868	0.244	0.529	0.059	0.616
Compound_474	O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1	0.541	0.739	0.663	0.59	0.132	0.788	0.686	0.649	0.433	0.734	0.362
Compound_475	OCc1nccc(n1)N1CCN(CC1)S(=O)(=O)N(C)C	0.092	0.534	0.011	0.308	0.095	0.213	0.077	0.383	0.333	0.064	0.283
Compound_476	O[C@@H](CN1CCCCC1)CON=C(c1cccnc1)Cl	0.134	0.406	0.098	0.317	0.055	0.344	0.017	0.305	0.17	0.13	0.556
Compound_477	N[C@H](c1ccccc1)Cc1ccccn1	0.065	0.517	0.334	0.457	0.049	0.684	0.0	0.207	0.695	0.183	0.169
Compound_478	C=C1CCN(CC1)[C@@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)C	0.384	0.728	0.415	0.396	0.046	0.483	0.272	0.386	0.412	0.03	0.36
Compound_479	N#Cc1c(N)cccc1S(=O)(=O)c1cc(C)cc(c1)C	0.316	0.385	0.899	0.648	0.477	0.599	0.899	0.866	0.656	0.552	0.423
Compound_480	O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1	0.151	0.317	0.051	0.314	0.178	0.592	0.001	0.13	0.239	0.004	0.175
Compound_481	O=C(c1ccc2c(c1)nccn2)N1CCCCC1	0.195	0.647	0.341	0.522	0.047	0.612	0.13	0.089	0.481	0.522	0.309
Compound_482	Cc1ncccc1OC[C@@H]1CCCN1	0.065	0.404	0.053	0.201	0.048	0.183	0.0	0.204	0.399	0.076	0.101
Compound_483	COc1ccc(cc1CN(c1cnc2c(c1)c(N)nc(n2)N)C)OC	0.318	0.514	0.728	0.494	0.546	0.581	0.172	0.433	0.666	0.502	0.916
Compound_484	Nc1nc(=O)n(cc1F)[C@H]1O[C@H](C=C1)CO	0.505	0.219	0.035	0.471	0.227	0.353	0.029	0.654	0.296	0.001	0.362
Compound_485	Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1	0.549	0.471	0.768	0.662	0.595	0.87	0.71	0.461	0.54	0.022	0.177
Compound_486	N[C@H](C(=O)N1CCCC1)C(C)C	0.033	0.346	0.451	0.397	0.007	0.009	0.001	0.016	0.291	0.021	0.064
Compound_487	N#Cc1cc(ccc1OCC(C)(C)C)n1ncc(c1)C(=O)O	0.326	0.655	0.33	0.525	0.73	0.499	0.06	0.624	0.663	0.012	0.829
Compound_488	NC(=O)C(c1ccccc1)(c1ccccc1)CCn1ccnc1C	0.172	0.663	0.299	0.342	0.344	0.755	0.43	0.002	0.358	0.001	0.236
Compound_489	Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1	0.323	0.817	0.977	0.586	0.328	0.898	0.981	0.987	0.763	0.163	0.189
Compound_490	CCc1ccc(c(c1)CC(=O)O)Nc1c(F)c(F)cc(c1F)F	0.152	0.419	0.166	0.328	0.908	0.598	0.999	0.332	0.406	0.366	0.186
Compound_491	CCC(Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(=O)O)CC	0.262	0.561	0.48	0.301	0.058	0.207	0.042	0.079	0.317	0.004	0.287
Compound_492	OC(=O)CNC(=O)c1nc(Cl)c2c(c1O)cccc2	0.641	0.494	0.857	0.411	0.379	0.485	0.005	0.984	0.22	0.422	0.408
Compound_493	N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C	0.771	0.664	0.897	0.599	0.69	0.589	0.88	0.438	0.689	0.379	0.665
Compound_494	N1CCN(CC1)c1nc2c(n1Cc1ccccc1)cccc2	0.106	0.482	0.016	0.234	0.5	0.863	0.142	0.054	0.356	0.024	0.188
Compound_495	Cc1ccc2c(c1Sc1ccncc1)c(=O)[nH]c(n2)N	0.255	0.56	0.978	0.466	0.484	0.571	0.001	0.201	0.651	0.02	0.689
Compound_496	CC(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C	0.673	0.419	0.748	0.556	0.04	0.769	0.506	0.053	0.415	0.218	0.776
Compound_497	OC(=O)[C@@H](c1ccc(c(c1)F)c1ccccc1)C	0.053	0.205	0.073	0.247	0.138	0.085	0.964	0.022	0.292	0.66	0.087
Compound_498	CC[C@H](SSc1ncc[nH]1)C	0.491	0.416	0.16	0.381	0.417	0.77	0.001	0.163	0.711	0.817	0.742
Compound_499	N#Cc1cccc(c1)S(=O)(=O)Nc1ccc(c2c1[nH]cc2C#N)C	0.486	0.359	0.442	0.317	0.472	0.651	0.974	0.843	0.371	0.519	0.533
Compound_500	N#Cc1ccc(cc1)C(=O)NCCc1cc(C)cc(n1)N	0.238	0.46	0.413	0.387	0.357	0.712	0.011	0.53	0.556	0.003	0.238
Compound_501	CC(Cc1ccc(cc1)[C@H](/C(=N/S(=O)(=O)C)/O)C)C	0.164	0.333	0.072	0.373	0.049	0.395	0.715	0.738	0.334	0.254	0.441
Compound_502	Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1	0.498	0.655	0.986	0.729	0.341	0.642	0.288	0.596	0.54	0.225	0.693
Compound_503	CN1CCN(CC1)c1cccc2c1oc(=O)[nH]2	0.217	0.649	0.46	0.186	0.086	0.084	0.007	0.038	0.541	0.075	0.065
Compound_504	NC(=O)c1cnc2n1CCc1c(C32CCNCC3)cccc1	0.273	0.598	0.329	0.274	0.269	0.392	0.001	0.052	0.294	0.008	0.178
Compound_505	OC(=O)[C@H](Cc1c(O)nsc1C(C)(C)C)N	0.391	0.458	0.098	0.235	0.471	0.571	0.009	0.037	0.092	0.02	0.318
Compound_506	CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C	0.266	0.613	0.211	0.278	0.206	0.655	0.961	0.411	0.319	0.007	0.262
Compound_507	NC(=O)CNC1Cc2c(C1)cccc2	0.018	0.373	0.04	0.134	0.085	0.147	0.0	0.001	0.288	0.031	0.594
Compound_508	CCCc1c(=O)[nH]c2c(c1OC1CCCCC1)cc(cc2)Cl	0.681	0.518	0.602	0.484	0.87	0.922	0.97	0.614	0.645	0.965	0.664
Compound_509	O=C(Nc1ccc(cc1)C(=N)N)Nc1ccc(cc1)Oc1ccccc1	0.738	0.752	0.965	0.556	0.98	0.983	0.795	0.839	0.868	0.137	0.171
Compound_510	C[C@H]1SC[C@]2(O1)CN1CCC2CC1	0.505	0.572	0.002	0.164	0.119	0.113	0.004	0.138	0.316	0.135	0.258
Compound_511	C[C@@H]1SC[C@]2(O1)CN1CCC2CC1	0.505	0.572	0.002	0.164	0.119	0.113	0.004	0.138	0.316	0.135	0.258
Compound_512	O=Cc1c(cccc1O)OCc1ccc(cc1)C(=O)O	0.511	0.707	0.056	0.506	0.781	0.68	0.981	0.482	0.235	0.13	0.883
Compound_513	C[C@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O	0.959	0.573	0.468	0.613	0.956	0.364	0.867	0.977	0.145	0.989	0.465
Compound_514	C1CN=C(N1)[C@H]1COc2c(O1)cccc2	0.051	0.416	0.023	0.25	0.031	0.067	0.0	0.02	0.264	0.86	0.065
Compound_515	CCC(n1ccc2c1ccc1c2c(N)nc(n1)N)CC	0.511	0.661	0.372	0.487	0.317	0.563	0.03	0.369	0.802	0.507	0.729
Compound_516	O=C(c1c[nH]c2c(c1=O)scc2)N[C@H]1CN2CCC1CC2	0.478	0.498	0.017	0.346	0.281	0.533	0.017	0.1	0.467	0.013	0.079
Compound_517	NC(=N)c1sc2c(c1)c(I)ccc2	0.596	0.619	0.925	0.442	0.328	0.546	0.954	0.922	0.593	0.671	0.214
Compound_518	SC[C@@H](C(=O)O)NC(=O)C(S)(C)C	0.002	0.128	0.034	0.126	0.135	0.031	0.001	0.022	0.24	0.0	0.074
Compound_519	COc1ccc2c(c1)N(C[C@@H](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_520	Fc1ccc(cc1)c1cncc(c1)CNC[C@H]1CCc2c(O1)cccc2	0.321	0.44	0.542	0.523	0.274	0.425	0.352	0.558	0.27	0.976	0.18
Compound_521	Nc1nc(nc(c1)Cl)S[C@H](c1ncc2c(c1)cco2)C	0.363	0.589	0.983	0.407	0.441	0.627	0.322	0.727	0.455	0.463	0.33
Compound_522	CCc1nn(c2c1CCn1c2nnc1c1cccs1)C1CCCC1	0.56	0.593	0.445	0.584	0.661	0.662	0.25	0.959	0.797	0.125	0.101
Compound_523	CC(=O)Oc1ccccc1C(=O)Oc1cccc(c1)CON(=O)=O	0.409	0.751	0.63	0.702	0.406	0.166	0.923	0.765	0.637	0.608	0.38
Compound_524	ONC(=O)CCOc1ccc(cc1)c1ccc(cc1)C#N	0.42	0.604	0.732	0.646	0.898	0.784	0.967	0.815	0.407	0.065	0.433
Compound_525	C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(C)cnc2	0.215	0.483	0.133	0.3	0.167	0.586	0.017	0.581	0.242	0.009	0.174
Compound_526	O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)N(=O)=O	0.559	0.543	0.998	0.551	0.753	0.694	0.986	0.899	0.695	0.428	0.413
Compound_527	C[C@@H]([C@H](n1cnc(c1)C(=O)N)CCc1cccc2c1cccc2)O	0.325	0.548	0.419	0.471	0.173	0.429	0.142	0.186	0.401	0.039	0.295
Compound_528	C[C@@H]([C@H](n1cnc(c1)C(=O)N)CCc1cccc(c1Cl)Cl)O	0.353	0.551	0.864	0.462	0.276	0.499	0.021	0.934	0.179	0.034	0.275
Compound_529	OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O	0.548	0.173	0.002	0.223	0.059	0.059	0.024	0.004	0.072	0.028	0.829
Compound_530	OC(=O)CCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2	0.621	0.531	0.539	0.487	0.125	0.301	0.736	0.292	0.232	0.023	0.044
Compound_531	CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F	0.376	0.564	0.827	0.337	0.683	0.688	0.989	0.604	0.345	0.029	0.28
Compound_532	C[C@H]1CN=C(c2c(O1)ccs2)N	0.447	0.522	0.441	0.376	0.39	0.604	0.048	0.082	0.601	0.464	0.289
Compound_533	O=C[C@@H](NC(=O)c1cncc(c1)c1ccc(cc1)C(=O)O)CC(=O)O	0.12	0.565	0.327	0.304	0.073	0.401	0.35	0.248	0.317	0.102	0.176
Compound_534	Fc1ccc2c(c1)c(OC#CC1CC1)c(c(=O)[nH]2)C(C)C	0.732	0.693	0.779	0.443	0.572	0.873	0.793	0.521	0.594	0.212	0.415
Compound_535	CCOC(=O)c1c(C)nn(c1C)c1cccc(c1)N(=O)=O	0.389	0.498	0.693	0.519	0.718	0.52	0.867	0.615	0.457	0.249	0.912
Compound_536	CC[C@H](c1ccccc1)C(=O)Nc1ccncc1	0.044	0.71	0.371	0.5	0.042	0.3	0.002	0.015	0.384	0.293	0.353
Compound_537	CC(=CCNc1ncnc2c1nc[nH]2)C	0.214	0.535	0.481	0.413	0.249	0.778	0.003	0.661	0.585	0.018	0.421
Compound_538	C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N	0.129	0.168	0.092	0.263	0.063	0.013	0.002	0.031	0.081	0.046	0.235
Compound_539	O=C(C1CC1)Nc1sc2c(c1C(=O)N)CCCC2	0.554	0.507	0.029	0.364	0.194	0.479	0.92	0.06	0.58	0.153	0.255
Compound_540	OC(=O)[C@@H](Cc1cn(c2c1cccc2)C)N	0.232	0.475	0.129	0.264	0.059	0.111	0.167	0.215	0.051	0.002	0.281
Compound_541	Clc1ccc(cc1C(=O)Nc1ccccc1)N(=O)=O	0.974	0.65	0.992	0.844	0.53	0.898	0.992	0.979	0.451	0.998	0.426
Compound_542	OC(=O)[C@@H]1CSC(N1)(C)C	0.005	0.454	0.022	0.168	0.285	0.003	0.001	0.005	0.042	0.001	0.239
Compound_543	OC(=O)/C=C/c1ccc(cc1)O	0.857	0.253	0.225	0.411	0.748	0.831	0.674	0.803	0.811	0.213	0.184
Compound_544	CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O	0.832	0.916	0.282	0.558	0.927	0.98	0.8	0.943	0.828	0.99	0.992
Compound_545	O=C(Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)C(C)C	0.089	0.459	0.237	0.243	0.225	0.588	0.337	0.525	0.172	0.01	0.105
Compound_546	O=C(Cn1ccnc1N(=O)=O)NCc1ccccc1	0.194	0.472	0.53	0.401	0.069	0.71	0.001	0.137	0.331	0.014	0.236
Compound_547	Cc1c2OC(C)(C)CCc2c(c(c1C)O)C	0.358	0.592	0.042	0.59	0.431	0.06	0.174	0.235	0.732	0.985	0.541
Compound_548	N[C@H](C(=O)O)Cc1c[nH]c2c1cc(F)cc2	0.241	0.425	0.415	0.277	0.338	0.602	0.135	0.085	0.089	0.002	0.1
Compound_549	OC(=O)[C@H](Cc1c[nH]c2c1c(F)ccc2)N	0.203	0.425	0.465	0.306	0.338	0.602	0.135	0.077	0.074	0.002	0.1
Compound_550	CCOC(=O)c1cc2ccc(cc2oc1=O)O	0.766	0.669	0.999	0.559	0.72	0.699	0.869	0.252	0.565	0.792	0.84
Compound_551	O=C(Cc1c[nH]c2c1cccc2)NCC(=O)O	0.057	0.452	0.469	0.284	0.23	0.587	0.257	0.713	0.078	0.007	0.219
Compound_552	NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N	0.139	0.486	0.547	0.378	0.139	0.622	0.03	0.071	0.354	0.117	0.5
Compound_553	Oc1ccc2c(c1)O[C@@H](CC2=O)c1ccccc1	0.42	0.765	0.431	0.584	0.961	0.959	0.986	0.369	0.306	0.306	0.753
Compound_554	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cccc2	0.474	0.765	0.431	0.582	0.89	0.94	0.934	0.387	0.488	0.306	0.753
Compound_555	COc1cc(/C=C/C(=O)O)ccc1O	0.794	0.247	0.192	0.477	0.595	0.067	0.66	0.767	0.666	0.898	0.274
Compound_556	Nc1ncc(s1)Cc1ccccc1	0.171	0.692	0.688	0.473	0.057	0.724	0.159	0.322	0.866	0.511	0.113
Compound_557	OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C	0.098	0.356	0.053	0.178	0.152	0.073	0.093	0.016	0.413	0.011	0.112
Compound_558	OC(=O)c1ccc(cc1O)Nc1scc(n1)c1ccc(c(c1)C)F	0.622	0.591	0.901	0.479	0.549	0.758	0.997	0.933	0.435	0.25	0.421
Compound_559	NC(=O)c1cc(Br)cnc1	0.312	0.172	0.161	0.308	0.142	0.227	0.001	0.013	0.224	0.095	0.048
Compound_560	N=C(Nc1cc(ccc1Cl)C(F)(F)F)NC(=N)N	0.662	0.529	0.147	0.52	0.65	0.707	0.688	0.988	0.463	0.378	0.332
Compound_561	COc1ccc2c(c1/C=N/NC(=O)c1ccc(c(c1)O)O)cccc2	0.647	0.777	0.972	0.513	0.572	0.84	0.092	0.705	0.408	0.748	0.475
Compound_562	Nc1nc2CCSCc2c(n1)C	0.441	0.455	0.469	0.469	0.284	0.6	0.026	0.062	0.396	0.146	0.192
Compound_563	OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N	0.138	0.389	0.426	0.236	0.256	0.597	0.125	0.301	0.053	0.002	0.132
Compound_564	COc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)O)C	0.086	0.415	0.016	0.197	0.057	0.223	0.004	0.004	0.122	0.018	0.159
Compound_565	N#Cc1cnn(c1N)c1ccc(cc1)Cl	0.271	0.56	0.434	0.515	0.5	0.554	0.192	0.177	0.88	0.12	0.429
Compound_566	NC(=O)[C@H]1CCCc2c1[nH]c1c2cc(cc1)Cl	0.278	0.61	0.216	0.3	0.65	0.711	0.984	0.039	0.541	0.244	0.657
Compound_567	n1ccc(cc1)CCc1c[nH]c2c1cccc2	0.205	0.571	0.954	0.458	0.269	0.702	0.009	0.341	0.87	0.811	0.646
Compound_568	O=C(Nc1ccccc1C(=O)O)COc1ccc(cc1)Cl	0.24	0.566	0.76	0.388	0.279	0.69	0.962	0.588	0.482	0.715	0.679
Compound_569	N[C@H](C(=O)O)Cc1ccccc1	0.053	0.105	0.015	0.151	0.01	0.017	0.006	0.002	0.09	0.0	0.01
Compound_570	Cc1nc(nc(c1Cl)NCCc1ccccc1)c1ccccn1	0.176	0.624	0.692	0.523	0.802	0.804	0.274	0.536	0.448	0.03	0.032
Compound_571	CCOC(=O)c1c(C)nn(c1C)c1ccccc1	0.345	0.572	0.676	0.491	0.708	0.447	0.511	0.467	0.545	0.063	0.92
Compound_572	CCOC(=O)c1c(C)n[nH]c1C	0.271	0.413	0.978	0.471	0.562	0.601	0.567	0.01	0.511	0.058	0.88
Compound_573	CCOC(=O)c1c(C)nn(c1C)c1ccc(cc1)N	0.289	0.597	0.96	0.492	0.613	0.511	0.406	0.278	0.529	0.044	0.839
Compound_574	Clc1ccc(cc1)NS(=O)(=O)c1ccsc1C(=O)O	0.257	0.304	0.642	0.526	0.537	0.82	0.159	0.41	0.381	0.611	0.403
Compound_575	ONC(=O)C[C@H]1Sc2ccccc2NC1=O	0.568	0.531	0.946	0.567	0.772	0.318	0.205	0.675	0.353	0.019	0.478
Compound_576	COc1cc(OC)cc(c1/C=C\1/C(=Nc2c1cccc2)O)OC	0.311	0.771	0.672	0.449	0.931	0.797	0.934	0.008	0.799	0.927	0.894
Compound_577	O=C(c1cccs1)NCCc1c(C)[nH]c2c1cccc2	0.346	0.628	0.894	0.294	0.612	0.718	0.852	0.872	0.433	0.003	0.201
Compound_578	Nc1nccc(n1)c1sc(nc1C)C	0.489	0.721	0.879	0.653	0.168	0.727	0.002	0.876	0.784	0.091	0.09
Compound_579	OC(=O)CCCc1onc(n1)c1cccc(c1)N(=O)=O	0.294	0.433	0.925	0.449	0.247	0.729	0.388	0.387	0.312	0.225	0.224
Compound_580	O=c1sn(c2c1cc(cc2)S(=O)(=O)N)C	0.64	0.483	0.05	0.211	0.065	0.36	0.478	0.005	0.168	0.007	0.243
Compound_581	CC(=O)c1sc(nc1C)Nc1ccccc1	0.734	0.812	0.88	0.546	0.087	0.718	0.242	0.97	0.736	0.078	0.313
Compound_582	OC[C@H](CC1CCCCC1)N	0.086	0.151	0.033	0.347	0.022	0.108	0.002	0.024	0.389	0.003	0.054
Compound_583	OC(=O)c1ccc(o1)c1ccccc1N(=O)=O	0.34	0.373	0.831	0.604	0.068	0.347	0.944	0.875	0.565	0.68	0.791
Compound_584	ClCCN([P@@]1(=O)NCCCO1)CCCl	0.053	0.199	0.029	0.36	0.406	0.12	0.001	0.987	0.872	0.038	0.087
Compound_585	NC(=N)Nc1ccc(cc1)C(=O)O	0.383	0.407	0.056	0.275	0.142	0.863	0.679	0.687	0.306	0.002	0.112
Compound_586	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	0.376	0.763	0.477	0.596	0.956	0.952	0.958	0.572	0.382	0.447	0.641
Compound_587	Clc1ccc(c(c1)c1ccc(o1)C(=O)O)Cl	0.232	0.351	0.899	0.562	0.349	0.405	0.945	0.192	0.75	0.537	0.314
Compound_588	CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@H](CNC(C)C)O	0.053	0.591	0.011	0.128	0.148	0.311	0.003	0.003	0.244	0.027	0.057
Compound_589	Oc1ccc2c(c1)cc(c(c2)O)C(=O)O	0.478	0.762	0.76	0.407	0.7	0.966	0.872	0.929	0.704	0.915	0.457
Compound_590	NCc1ccc(cc1)F	0.666	0.115	0.429	0.496	0.009	0.077	0.018	0.094	0.714	0.254	0.028
Compound_591	OC[C@@H](C(=O)O)NC(=O)C	0.007	0.111	0.005	0.106	0.044	0.004	0.001	0.018	0.158	0.006	0.037
Compound_592	NCc1ccc(cc1)c1cccs1	0.548	0.51	0.679	0.759	0.14	0.7	0.186	0.421	0.82	0.369	0.089
Compound_593	NCc1ccc(s1)c1cccs1	0.581	0.54	0.882	0.524	0.262	0.869	0.216	0.278	0.781	0.408	0.753
Compound_594	ClCC[C@H](c1ccccc1)O	0.276	0.111	0.187	0.514	0.295	0.438	0.926	0.339	0.145	0.12	0.466
Compound_595	O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)Cl	0.629	0.623	0.868	0.766	0.384	0.808	0.049	0.642	0.764	0.656	0.437
Compound_596	Clc1cc(Cl)cc(c1)n1nc(nc1C)C(=O)O	0.405	0.487	0.226	0.478	0.5	0.61	0.888	0.309	0.738	0.046	0.419
Compound_597	Cc1ccc(cc1)Sc1cccc2c1c(N)nc(n2)N	0.294	0.636	0.925	0.534	0.728	0.697	0.122	0.939	0.647	0.62	0.812
Compound_598	OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)NC(=O)C	0.114	0.324	0.041	0.296	0.053	0.085	0.001	0.027	0.363	0.055	0.066
Compound_599	O=C(Nc1ccc(cn1)Br)CCC(=O)O	0.169	0.412	0.526	0.244	0.29	0.477	0.018	0.044	0.349	0.004	0.021
Compound_600	COc1ccc2c(c1)c(CCC(=O)O)c[nH]2	0.215	0.578	0.673	0.349	0.384	0.652	0.011	0.015	0.341	0.021	0.229
Compound_601	OC(=O)[C@H]1CC(=O)N(C1)c1ccccc1O	0.479	0.369	0.132	0.386	0.401	0.119	0.278	0.552	0.373	0.009	0.125
Compound_602	NCC(=O)N[C@](c1ccccc1)(Cc1ccccc1)C	0.055	0.535	0.026	0.267	0.009	0.414	0.012	0.011	0.162	0.01	0.518
Compound_603	O=C1CC(C)(C)Cc2c1sc(n2)N1CCOCC1	0.304	0.642	0.22	0.405	0.175	0.613	0.056	0.947	0.548	0.036	0.188
Compound_604	Clc1cc(ccc1c1ccc(o1)C(=O)O)N(=O)=O	0.44	0.474	0.931	0.613	0.382	0.505	0.972	0.745	0.613	0.947	0.797
Compound_605	ON=C1c2cc(OCC(=O)O)ccc2c2c1cc(OCC(=O)O)cc2	0.25	0.605	0.762	0.461	0.674	0.793	0.952	0.767	0.379	0.924	0.894
Compound_606	N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCC2	0.778	0.605	0.835	0.569	0.56	0.608	0.991	0.762	0.702	0.994	0.588
Compound_607	CC([C@@H](C(=O)Nc1ccncc1)NC(=O)C1CCCCC1)C	0.052	0.493	0.203	0.425	0.076	0.214	0.002	0.121	0.41	0.402	0.194
Compound_608	CC(C[C@@H](C(=O)O)NC(=O)c1ccco1)C	0.027	0.225	0.293	0.22	0.006	0.205	0.163	0.439	0.381	0.035	0.012
Compound_609	Oc1ccc2c(c1Br)oc(=O)c(c2C)Br	0.245	0.621	0.755	0.413	0.704	0.671	0.775	0.767	0.69	0.955	0.833
Compound_610	COc1ccccc1c1ccc(o1)C(=O)O	0.099	0.42	0.755	0.515	0.006	0.05	0.247	0.751	0.722	0.079	0.092
Compound_611	Clc1ccccc1c1ccc(o1)C(=O)O	0.207	0.351	0.883	0.584	0.168	0.252	0.945	0.165	0.748	0.537	0.314
Compound_612	CS(=O)(=O)Nc1cccc2c1nccc2	0.52	0.453	0.926	0.536	0.049	0.284	0.003	0.585	0.425	0.569	0.675
Compound_613	OC(=O)[C@H](Cc1ccccc1)CC(=O)O	0.447	0.085	0.129	0.156	0.105	0.026	0.717	0.011	0.511	0.002	0.014
Compound_614	OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1	0.51	0.349	0.027	0.431	0.236	0.093	0.027	0.024	0.095	0.018	0.89
Compound_615	OCCc1c(=O)oc2c(c1C)ccc(c2)O	0.877	0.496	0.992	0.452	0.741	0.737	0.488	0.228	0.367	0.55	0.752
Compound_616	Cn1c(=O)ccc2c1cccc2	0.25	0.668	0.872	0.476	0.421	0.372	0.258	0.302	0.904	0.081	0.227
Compound_617	OC(=O)c1ccc(cc1)NS(=O)(=O)C	0.2	0.241	0.297	0.447	0.074	0.758	0.919	0.166	0.397	0.026	0.481
Compound_618	OC(=O)c1c(oc(c1C(=O)O)c1ccccc1)c1ccccc1	0.362	0.525	0.957	0.551	0.352	0.473	0.999	0.419	0.9	0.028	0.635
Compound_619	OC(=O)c1ccc(o1)c1ccccc1C(F)(F)F	0.18	0.399	0.555	0.593	0.042	0.072	0.987	0.915	0.623	0.184	0.422
Compound_620	OC(=O)CNc1ncnc2c1c(c1ccccc1)c(o2)c1ccccc1	0.266	0.625	0.784	0.423	0.572	0.629	0.947	0.509	0.422	0.199	0.327
Compound_621	CC[C@H]([C@@H](C(=O)O)N)C	0.007	0.022	0.017	0.111	0.013	0.001	0.001	0.003	0.092	0.001	0.035
Compound_622	Clc1oc(=O)c2c(c1Cl)cccc2	0.786	0.415	0.988	0.602	0.3	0.747	1.0	0.869	0.87	0.984	0.824
Compound_623	O[C@H]1C=Cc2c([C@H]1O)cccc2	0.308	0.451	0.331	0.583	0.15	0.166	0.867	0.669	0.388	0.924	0.938
Compound_624	N[C@H](C(=O)O)Cc1ccc(cc1)I	0.056	0.187	0.019	0.18	0.078	0.099	0.006	0.005	0.11	0.001	0.047
Compound_625	C[C@@H](C(=O)O)CC	0.366	0.028	0.065	0.164	0.044	0.001	0.955	0.093	0.118	0.089	0.227
Compound_626	OC(=O)[C@H](Cc1cccc2c1cccc2)N	0.086	0.386	0.119	0.28	0.034	0.077	0.596	0.142	0.303	0.007	0.103
Compound_627	OC[C@H](C(C)C)N	0.027	0.077	0.038	0.34	0.006	0.006	0.002	0.03	0.144	0.003	0.092
Compound_628	O=C1CCCc2c1n(C(=O)C)c1c2cccc1	0.349	0.645	0.734	0.543	0.456	0.683	0.894	0.467	0.228	0.496	0.459
Compound_629	Nc1ncnc(c1)Nc1ccc(cc1)S(=O)(=O)N	0.332	0.157	0.004	0.237	0.177	0.287	0.001	0.008	0.172	0.003	0.106
Compound_630	C[C@H](C(=O)O)Cc1ccccc1	0.384	0.096	0.111	0.225	0.069	0.015	0.909	0.027	0.152	0.023	0.003
Compound_631	O=C1CNC(=O)[C@H]2N1CCC2	0.03	0.413	0.026	0.184	0.008	0.013	0.0	0.07	0.237	0.037	0.148
Compound_632	COc1cc(Br)c(cc1C[C@@H](N)C)OC	0.455	0.136	0.677	0.669	0.093	0.633	0.004	0.048	0.481	0.288	0.243
Compound_633	Clc1ccc(cn1)[C@H]1C[C@H]2N[C@@H]1CC2	0.119	0.416	0.042	0.287	0.077	0.24	0.003	0.07	0.144	0.759	0.033
Compound_634	CN[C@@H](C(=O)O)CC(C)C	0.004	0.034	0.156	0.13	0.021	-0.0	0.001	0.016	0.13	0.006	0.033
Compound_635	Cn1c(=N)cc[nH]c1=O	0.093	0.324	0.068	0.321	0.059	0.165	0.001	0.01	0.556	0.012	0.14
Compound_636	C[C@@H](Cc1ccc2c(c1)OCO2)N	0.23	0.304	0.88	0.456	0.015	0.427	0.008	0.074	0.275	0.501	0.301
Compound_637	Cc1ccc(nc1)c1ccc(cn1)C	0.459	0.692	0.929	0.579	0.067	0.697	0.022	0.446	0.415	0.121	0.923
Compound_638	C=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O	0.655	0.713	0.253	0.357	0.784	0.236	0.029	0.199	0.101	0.234	0.288
Compound_639	OC(=O)Cc1cc(=O)[nH]c(=O)[nH]1	0.122	0.344	0.022	0.189	0.23	0.029	0.155	0.045	0.128	0.018	0.659
Compound_640	O=C(c1ccc(cc1)S(=O)(=O)N)NCc1ccccc1	0.103	0.287	0.003	0.118	0.113	0.447	0.067	0.004	0.302	0.001	0.062
Compound_641	Fc1cccc(c1S(=O)(=O)N)F	0.438	0.414	0.018	0.242	0.063	0.15	0.908	0.009	0.363	0.452	0.492
Compound_642	CO[C@H]1CNCC[C@H]1NC(=O)c1cc(Cl)c(cc1OC)N	0.18	0.605	0.131	0.299	0.093	0.432	0.116	0.052	0.345	0.023	0.067
Compound_643	C[C@@H](Cc1c[nH]c2c1cccc2)N	0.107	0.459	0.936	0.379	0.213	0.648	0.033	0.232	0.684	0.099	0.177
Compound_644	Brc1cc(cc(c1O)Br)c1ccccc1	0.974	0.706	0.832	0.772	0.68	0.814	0.998	0.977	0.666	0.995	0.982
Compound_645	CC(NC[C@@H](c1ccc(c(c1)Cl)Cl)O)C	0.008	0.242	0.235	0.183	0.052	0.135	0.001	0.096	0.272	0.005	0.067
Compound_646	O=c1cc(c2ccccc2)c2c(o1)c(O)c(cc2)O	0.928	0.762	0.927	0.759	0.968	0.592	0.897	0.987	0.908	0.061	0.847
Compound_647	OCc1cccc(c1F)F	0.619	0.078	0.911	0.638	0.049	0.029	0.965	0.974	0.537	0.9	0.526
Compound_648	Clc1ccc(cc1)C(=O)c1c(N)sc2c1CCCC2	0.505	0.603	0.493	0.465	0.601	0.644	0.996	0.536	0.564	0.978	0.624
Compound_649	NNC(=O)c1cn2c(n1)c1ccccc1cc2	0.28	0.654	0.936	0.358	0.295	0.661	0.046	0.912	0.854	0.016	0.167
Compound_650	CN1CCN(CC1)NC(=S)Nc1ccc(cc1)S(=O)(=O)N	0.113	0.299	0.003	0.129	0.161	0.458	0.001	0.026	0.312	0.018	0.157
Compound_651	Fc1ccc(cc1)C(=O)c1sc(nc1N)Nc1cccc(c1)Cl	0.554	0.655	0.823	0.667	0.471	0.84	0.995	0.972	0.499	0.63	0.361
Compound_652	OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl	0.718	0.586	0.988	0.641	0.5	0.775	0.999	0.897	0.472	0.322	0.3
Compound_653	FC(c1cccc(c1)N1CCN(CC1)CCc1nnc2n1C[C@H]1[C@@H]2CCC1)(F)F	0.471	0.725	0.228	0.272	0.373	0.763	0.82	0.733	0.463	0.026	0.185
Compound_654	O=C(N(c1cnccn1)C1CCN(CC1)CCc1ccccc1)c1ccco1	0.212	0.654	0.03	0.207	0.103	0.55	0.188	0.425	0.377	0.376	0.048
Compound_655	Clc1ccc(cc1)C(=O)c1c(Cl)cc(cc1Cl)Cn1nnc(c1N)C(=O)N	0.628	0.562	0.441	0.416	0.454	0.664	0.732	0.302	0.511	0.056	0.339
Compound_656	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C	0.253	0.558	0.029	0.045	0.629	0.785	0.028	0.156	0.641	0.037	0.166
Compound_657	CCOC(=O)c1ccc(cc1)OCCC1CCN(CC1)c1ccc(nn1)C	0.251	0.7	0.793	0.628	0.339	0.761	0.056	0.837	0.573	0.056	0.429
Compound_658	Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F	0.449	0.521	0.006	0.042	0.252	0.898	0.055	0.104	0.743	0.339	0.262
Compound_659	O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C	0.863	0.724	0.399	0.732	0.792	0.981	0.961	0.789	0.239	0.188	0.466
Compound_660	CCC(=O)N(C1(CCN(CC1)CCn1nnn(c1=O)CC)c1ccccc1)c1ccccc1F	0.61	0.673	0.093	0.241	0.111	0.843	0.002	0.129	0.381	0.045	0.092
Compound_661	OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2	0.669	0.536	0.967	0.47	0.684	0.768	0.999	0.673	0.39	0.002	0.247
Compound_662	NC(=O)OCc1nc(c(n1Cc1ccncc1)Sc1cc(Cl)cc(c1)Cl)C(C)C	0.516	0.637	0.392	0.419	0.693	0.67	0.522	0.812	0.414	0.257	0.337
Compound_663	OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F	0.437	0.512	0.946	0.436	0.641	0.707	1.0	0.808	0.564	0.323	0.238
Compound_664	OC(=O)[C@H](CC(=O)c1ccc(cc1)c1ccc(cc1)Cl)CSc1ccccc1	0.39	0.499	0.796	0.492	0.975	0.899	0.985	0.857	0.414	0.012	0.55
Compound_665	FC(c1cccc(c1)C1=CCN(CC1)CCc1ccc2c(c1)cccc2)(F)F	0.206	0.486	0.265	0.21	0.559	0.114	0.972	0.927	0.44	0.21	0.205
Compound_666	OC(=O)[C@H](NS(=O)(=O)c1ccc(s1)C#Cc1ccc(cc1)C)Cc1c[nH]c2c1cccc2	0.445	0.4	0.504	0.282	0.648	0.662	0.999	0.418	0.333	0.227	0.246
Compound_667	ONC(=O)[C@@H]1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1	0.191	0.554	0.347	0.363	0.309	0.661	0.048	0.058	0.361	0.056	0.386
Compound_668	ONC(=O)[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)OC)C(=O)OCc1ccccc1	0.282	0.418	0.581	0.425	0.117	0.603	0.018	0.048	0.356	0.244	0.453
Compound_669	CO/N=C\1/CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.575	0.669	0.035	0.173	0.723	0.683	0.029	0.394	0.435	0.002	0.438
Compound_670	OC[C@@H](C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C	0.723	0.599	0.927	0.527	0.751	0.795	0.507	0.978	0.36	0.247	0.666
Compound_671	OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C	0.697	0.516	0.398	0.442	0.741	0.783	0.94	0.789	0.451	0.178	0.622
Compound_672	CCOc1ccc(cc1)c1nn2c(c1c1ccc(cc1)S(=O)(=O)C)cccn2	0.384	0.651	0.975	0.729	0.736	0.711	0.971	0.856	0.377	0.12	0.423
Compound_673	OCCc1cc(ccc1O)[C@H](CN[C@H]1CCc2c(C1)cc(cc2)OCC(=O)N(C)C)O	0.291	0.543	0.248	0.098	0.046	0.32	0.026	0.045	0.164	0.054	0.113
Compound_674	CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C	0.562	0.726	0.13	0.311	0.5	0.665	0.994	0.104	0.578	0.178	0.583
Compound_675	Fc1c(Oc2cccc(c2)C(=N)N)nc(c(c1C)F)Oc1cccc(c1)C(=N)N	0.74	0.481	0.894	0.576	0.859	0.76	0.309	0.973	0.575	0.062	0.174
Compound_676	COC1=CC(=O)c2c(C1=O)c(COc1ccc(cc1)N(=O)=O)c(n2C)C	0.722	0.765	0.826	0.702	0.556	0.661	0.69	0.947	0.146	0.853	0.941
Compound_677	CN(C[C@H](COc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1)Br)O)C	0.519	0.473	0.08	0.222	0.666	0.441	0.136	0.593	0.207	0.343	0.565
Compound_678	Fc1cccc(c1)C1=C(OC(C1=O)(C)C)c1ccc(cc1)S(=O)(=O)N	0.597	0.579	0.002	0.287	0.226	0.556	0.565	0.069	0.222	0.164	0.543
Compound_679	NC(=N)c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)Cn1c(C)nc2c1cccc2	0.365	0.708	0.604	0.533	0.584	0.872	0.958	0.625	0.812	0.032	0.245
Compound_680	CC(=O)N(Cc1cc(ccc1N)C(=O)N(Cc1cc2c(n1C)cccc2)C)C	0.54	0.698	0.975	0.422	0.421	0.96	0.864	0.751	0.573	0.079	0.269
Compound_681	O=C(Cn1c(Cl)cnc(c1=O)NCC(c1ccccn1=O)(F)F)NCc1ccccc1F	0.452	0.499	0.446	0.398	0.451	0.615	0.036	0.456	0.492	0.034	0.588
Compound_682	Cc1nc2c(n1c1ccc(cc1)Cn1c(=O)sc3c1cccc3)ccnc2	0.619	0.619	0.692	0.57	0.656	0.75	0.936	0.782	0.918	0.176	0.132
Compound_683	c1cc(Oc2ccc3c(c2)OCO3)nc(n1)Oc1ccc(cc1)n1cncc1	0.663	0.587	0.595	0.553	0.779	0.634	0.86	0.419	0.588	0.486	0.861
Compound_684	CSc1ccc(cc1)Oc1ccc(cc1CN(C)C)S(=O)(=O)N	0.042	0.44	0.013	0.224	0.092	0.628	0.046	0.002	0.208	0.132	0.239
Compound_685	N#Cc1ccc(cc1)Nc1nc(CO)c(c(n1)Oc1c(C)cc(cc1C)C#N)Br	0.726	0.485	0.977	0.544	0.703	0.755	0.788	0.848	0.609	0.03	0.654
Compound_686	C[C@H](c1ccc(cc1)c1ccc(cc1)CCNS(=O)(=O)C)CNS(=O)(=O)C(C)C	0.256	0.514	0.433	0.471	0.097	0.753	0.145	0.792	0.409	0.244	0.263
Compound_687	ONC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1ccc2c(c1)cccc2	0.253	0.371	0.287	0.238	0.484	0.772	0.877	0.876	0.256	0.237	0.407
Compound_688	CN1CCN(CC1)NC(=O)Nc1cccc2c1C(=O)c1c2n[nH]c1c1sc(nc1C)C	0.495	0.663	0.94	0.457	0.664	0.651	0.653	0.524	0.449	0.487	0.187
Compound_689	Cc1ccc(cc1)Cn1nc([nH]c1=O)CCCc1ccc(cc1)OC(C(=O)O)(C)C	0.258	0.503	0.223	0.339	0.093	0.78	0.585	0.03	0.318	0.64	0.258
Compound_690	Nc1nc(N)c2c(n1)ccc(c2C)c1ccccc1	0.484	0.754	0.941	0.681	0.841	0.805	0.861	0.885	0.894	0.547	0.793
Compound_691	CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C	0.133	0.619	0.089	0.751	0.69	0.973	0.42	0.012	0.413	0.665	0.544
Compound_692	Oc1ccc2c(c1)c(=O)c(c(o2)c1cc(Br)c(c(c1)Br)O)C	0.837	0.797	0.962	0.582	0.686	0.798	0.995	0.991	0.458	0.316	0.96
Compound_693	O=C1NC(=O)[C@]2(C1)C(=O)N(Cc1ccc(cc1F)Br)C(=O)c1c2cc(F)cc1	0.588	0.658	0.611	0.351	0.268	0.645	0.66	0.63	0.41	0.474	0.686
Compound_694	CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F	0.26	0.735	0.176	0.3	0.378	0.825	0.002	0.386	0.547	0.306	0.113
Compound_695	O=c1oc2c(c(=O)n1c1ccccn1)N(C)S(=O)(=O)c1c2cccc1	0.494	0.569	0.086	0.699	0.295	0.658	0.686	0.24	0.312	0.051	0.292
Compound_696	CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)OC	0.203	0.612	0.672	0.371	0.346	0.71	0.436	0.491	0.423	0.094	0.366
Compound_697	COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(cc1)O	0.485	0.259	0.197	0.347	0.439	0.544	0.058	0.037	0.442	0.077	0.219
Compound_698	O=C(c1ccc2c(c1)NCCCC2)CCC1CCN(CC1)Cc1ccccc1	0.282	0.477	0.906	0.24	0.406	0.898	0.75	0.952	0.058	0.034	0.18
Compound_699	OC1=NC(=O)[C@]2(C1)C(=O)N(Cc1ccc(cc1F)Br)C(=O)c1n2ccc1	0.515	0.6	0.29	0.462	0.341	0.646	0.012	0.529	0.41	0.44	0.621
Compound_700	OC(=NS(=O)(=O)c1ccc2c(c1)CCO2)Nc1ccc(c(c1)Cl)Cl	0.465	0.49	0.795	0.345	0.468	0.723	0.172	0.711	0.418	0.302	0.555
Compound_701	COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC	0.43	0.474	0.976	0.506	0.853	0.723	0.769	0.948	0.95	0.05	0.918
Compound_702	COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl	0.232	0.573	0.602	0.641	0.366	0.637	0.239	0.218	0.35	0.444	0.349
Compound_703	COc1ccc2c(c1)CN(CCS2)C(=O)CCN1CCC(CC1)Cc1ccccc1	0.255	0.663	0.214	0.328	0.553	0.661	0.056	0.21	0.309	0.096	0.222
Compound_704	CCOc1cc(ccc1OCC)c1scc(n1)c1cccc(n1)C(=O)O	0.523	0.699	0.921	0.595	0.493	0.735	0.964	0.764	0.21	0.032	0.83
Compound_705	Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C	0.657	0.663	0.976	0.839	0.733	0.796	0.999	0.799	0.5	0.959	0.663
Compound_706	Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	0.371	0.361	0.008	0.419	0.816	0.574	0.686	0.962	0.116	0.158	0.573
Compound_707	Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N	0.511	0.367	0.073	0.321	0.486	0.647	0.588	0.168	0.118	0.588	0.315
Compound_708	COC(=O)C1=C(C)NC(=C([C@H]1c1ccccc1N(=O)=O)C(=O)OCC(=O)C)C	0.367	0.737	0.905	0.652	0.093	0.51	0.184	0.462	0.447	0.019	0.845
Compound_709	Clc1ccc(cc1)CS[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1	0.053	0.731	0.726	0.883	0.926	0.94	0.038	0.586	0.462	0.994	0.29
Compound_710	O=C(c1cccnc1Nc1cccc(c1)C(F)(F)F)O[C@H]1OC(=O)c2c1cccc2	0.444	0.497	0.936	0.551	0.437	0.728	0.999	0.912	0.365	0.016	0.831
Compound_711	OC1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc2c([nH]1)ccc(c2)Cl)Cc1ccc(cc1)F	0.773	0.558	0.676	0.357	0.76	0.699	0.292	0.806	0.44	0.338	0.508
Compound_712	Fc1ccc(c(c1)F)[C@]([C@H](n1cnc2c(c1=O)ccc(c2)Cl)C)(Cn1ncnc1)O	0.689	0.701	0.944	0.726	0.707	0.735	0.989	0.345	0.417	0.002	0.312
Compound_713	OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl	0.055	0.49	0.128	0.153	0.295	0.168	0.017	0.004	0.279	0.129	0.243
Compound_714	CCn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2c1ccccc1F	0.517	0.753	0.469	0.608	0.5	0.68	0.697	0.146	0.777	0.813	0.393
Compound_715	COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C	0.451	0.643	0.621	0.509	0.945	0.508	0.995	0.354	0.657	0.363	0.368
Compound_716	OC(=O)c1ccc(cc1)c1cc2cccnc2c(n1)c1cccc(c1)N(=O)=O	0.58	0.622	0.941	0.695	0.584	0.834	0.902	0.744	0.371	0.814	0.854
Compound_717	O=C1NC(=O)C(=C1c1cn(c2c1ccc(c2)N(=O)=O)C)c1cn(c2c1cccc2)C	0.545	0.798	0.839	0.488	0.783	0.536	0.999	0.729	0.734	0.975	0.646
Compound_718	CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1	0.243	0.605	0.05	0.513	0.594	0.734	0.01	0.788	0.295	0.004	0.157
Compound_719	CCOc1ccc(cc1)c1ccc(cc1)C(=O)C[C@@H](C(=O)O)CCN1C(=O)c2c(C1=O)cccc2	0.365	0.686	0.256	0.505	0.713	0.955	0.976	0.935	0.404	0.141	0.194
Compound_720	Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	0.436	0.626	0.718	0.901	0.967	0.965	0.925	0.658	0.348	0.45	0.874
Compound_721	CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)F)C#N	0.625	0.595	0.779	0.498	0.883	0.658	0.767	0.845	0.469	0.961	0.81
Compound_722	COc1ccc(cc1)S(=O)(=O)N(c1c(C)cccc1C(=O)NO)Cc1cccnc1	0.505	0.508	0.802	0.439	0.303	0.646	0.71	0.017	0.122	0.02	0.413
Compound_723	Oc1c(cccc1c1ccccc1)c1[nH]c2c(c1)cc(c(c2)Cl)C(=N)N	0.809	0.753	0.708	0.637	0.951	0.728	0.74	0.906	0.763	0.656	0.83
Compound_724	Cc1nc(c(s1)c1ccnc(n1)Nc1ccc(cc1)C(F)(F)F)C	0.668	0.715	0.979	0.652	0.38	0.796	0.69	0.885	0.752	0.026	0.31
Compound_725	CC=C1[C@H]2C=C(C[C@]1(/N=C/c1cc(Cl)cc(c1O)OC)c1c(C2)[nH]c(=O)cc1)C	0.688	0.824	0.114	0.528	0.476	0.568	0.376	0.487	0.555	0.068	0.232
Compound_726	CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O	0.367	0.473	0.58	0.262	0.447	0.734	0.181	0.088	0.188	0.026	0.257
Compound_727	COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@@H](CC2)NC(=O)C)OC	0.952	0.8	0.416	0.558	0.109	0.251	0.12	0.96	0.95	0.036	0.077
Compound_728	N#C[C@@H](c1c(Cl)cc(cc1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)F	0.562	0.502	0.104	0.656	0.967	0.88	0.975	0.228	0.768	0.149	0.913
Compound_729	CC(CCC(=O)C[C@@H]1N(c2ccc3c(n2)nc(cc3)Cl)C(=O)c2c1cccc2)C	0.673	0.607	0.728	0.506	0.544	0.894	0.767	0.977	0.335	0.095	0.132
Compound_730	CC[C@H]1C(=NN=C(c2c1cc(OC)c(c2)OC)c1ccc(c(c1)OC)OC)C	0.62	0.779	0.348	0.673	0.676	0.637	0.942	0.14	0.95	0.884	0.925
Compound_731	Clc1ccc2c(c1)N(CCCN1CCC(CC1)(C(=O)N)N1CCCCC1)c1ccccc1CC2	0.14	0.656	0.254	0.181	0.738	0.829	0.529	0.034	0.369	0.25	0.482
Compound_732	CCOC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OCC)C	0.687	0.71	0.983	0.478	0.679	0.11	0.582	0.191	0.6	0.165	0.936
Compound_733	COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(=O)[C@@H]1OC(=O)C)CCN(C)C	0.662	0.713	0.001	0.079	0.779	0.548	0.03	0.06	0.313	0.14	0.34
Compound_734	CN(C[C@@H](Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O)C	0.448	0.617	0.677	0.231	0.639	0.652	0.245	0.147	0.34	0.352	0.411
Compound_735	O=C(c1cccnc1)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.585	0.576	0.776	0.424	0.693	0.7	0.005	0.075	0.373	0.234	0.522
Compound_736	Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(=O)O)Br	0.257	0.298	0.088	0.324	0.675	0.652	0.39	0.553	0.406	0.888	0.621
Compound_737	c1ccc(cc1)NCc1cccnc1	0.463	0.684	0.856	0.527	0.039	0.382	0.001	0.117	0.683	0.285	0.58
Compound_738	O=C([C@H]1CC(=O)N(C1)C1CCCCC1)Nc1cccc(c1)Br	0.53	0.462	0.933	0.739	0.317	0.651	0.608	0.94	0.415	0.261	0.117
Compound_739	N#Cc1c(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N(CC)CC)sc2c1CCC2	0.633	0.388	0.314	0.481	0.615	0.699	0.937	0.729	0.416	0.872	0.491
Compound_740	CCN(S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(=O)O)CC	0.25	0.408	0.28	0.508	0.378	0.653	0.235	0.479	0.426	0.923	0.426
Compound_741	COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1cccs1	0.542	0.734	0.894	0.621	0.649	0.723	0.919	0.542	0.839	0.189	0.7
Compound_742	OC[C@@H](C(=O)O)N	0.021	0.092	0.008	0.108	0.047	0.01	0.001	0.039	0.053	0.0	0.041
Compound_743	OC[C@@H]1O[C@@]([C@@H]([C@H]1O)O)(O)CO	0.572	0.305	0.036	0.436	0.074	0.349	0.027	0.291	0.177	0.705	0.02
Compound_744	OC(=O)C[C@@H](C(=O)O)O	0.284	0.054	0.015	0.147	0.072	0.098	0.037	0.359	0.208	0.006	0.055
Compound_745	CC(=O)CC(=O)O	0.414	0.029	0.053	0.094	0.064	0.015	0.965	0.106	0.473	0.025	0.083
Compound_746	OC(=O)CC[C@H](C(=O)O)N	0.003	0.005	0.059	0.064	0.032	0.008	0.001	0.002	0.15	0.0	0.028
Compound_747	SC[C@@H]([C@H](CS)O)O	0.359	0.195	0.051	0.383	0.196	0.2	0.87	0.038	0.65	0.222	0.232
Compound_748	OC(=O)[C@H](Cc1ccc(c(c1)O)O)N	0.382	0.129	0.016	0.179	0.121	0.03	0.01	0.063	0.124	0.007	0.003
Compound_749	C[C@@H](C=O)O	0.532	0.099	0.054	0.46	0.028	0.434	0.969	0.063	0.467	0.416	0.633
Compound_750	OC(=O)C[C@H](C(=O)O)O	0.284	0.054	0.015	0.147	0.072	0.098	0.037	0.359	0.208	0.006	0.055
Compound_751	OC[C@@H]([C@H](CO)O)O	0.544	0.118	0.051	0.383	0.052	0.08	0.035	0.038	0.109	0.499	0.093
Compound_752	OCC([C@H](C(=O)O)O)(C)C	0.249	0.065	0.034	0.166	0.036	0.052	0.57	0.47	0.109	0.031	0.051
Compound_753	OC[C@@H](O)C	0.573	0.087	0.05	0.416	0.083	0.059	0.914	0.018	0.065	0.103	0.236
Compound_754	NC(C(=O)O)C(=O)O	0.045	0.074	0.017	0.129	0.073	0.023	0.001	0.006	0.127	0.008	0.305
Compound_755	O[C@@H]1CSSC[C@H]1O	0.574	0.328	0.054	0.473	0.158	0.145	0.675	0.191	0.435	0.377	0.403
Compound_756	OCc1cnc(nc1N)C	0.246	0.34	0.156	0.402	0.029	0.076	0.0	0.057	0.572	0.001	0.156
Compound_757	C[C@@H](C(=O)O)CN	0.015	0.103	0.04	0.116	0.019	0.001	0.001	0.002	0.049	0.0	0.042
Compound_758	CC(=O)CC[C@@H](C(=O)O)N	0.007	0.054	0.017	0.198	-0.0	0.007	0.0	0.003	0.282	0.0	0.006
Compound_759	CC[C@]([C@H](C(=O)O)O)(O)C	0.266	0.046	0.021	0.167	0.035	0.016	0.092	0.036	0.088	0.104	0.021
Compound_760	OC(=O)[C@]1(O)C=Cc2c(O1)cccc2	0.654	0.46	0.194	0.455	0.141	0.094	0.574	0.347	0.301	0.822	0.706
Compound_761	OC(=O)[C@@H](C[C@@H](C(=O)O)N)C	0.003	0.017	0.021	0.125	0.018	0.003	0.002	0.001	0.165	0.002	0.012
Compound_762	OC(=O)C(=N)Cc1c[nH]c2c1cccc2	0.385	0.424	0.306	0.244	0.221	0.607	0.04	0.426	0.315	0.019	0.298
Compound_763	Cc1ccc(cc1)C(=O)Oc1cc(ccc1OC(=O)c1ccc(cc1)C)[C@@H](CNC(C)(C)C)O	0.156	0.621	0.062	0.168	0.334	0.457	0.193	0.002	0.371	0.038	0.195
Compound_764	C[C@H](c1ccccc1)O	0.259	0.125	0.19	0.356	0.044	0.064	0.77	0.082	0.156	0.693	0.145
Compound_765	N[C@H]1C[C@@H]1c1ccccc1	0.053	0.38	0.157	0.36	0.034	0.146	0.003	0.016	0.418	0.419	0.087
Compound_766	COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)/C(=N/S(=O)(=O)c1ccccc1C)/O	0.668	0.679	0.987	0.605	0.567	0.8	0.998	0.531	0.238	0.763	0.343
Compound_767	OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1cnc(n1)C(=O)N	0.053	0.264	0.018	0.448	0.065	0.31	0.007	0.006	0.098	0.004	0.918
Compound_768	CC[N+](CC)(CC)CC	0.23	0.523	0.414	0.534	0.027	0.03	0.007	0.128	0.648	0.785	0.087
Compound_769	OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N	0.015	0.238	0.002	0.219	0.016	0.051	0.0	0.004	0.123	0.067	0.725
Compound_770	C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(O)(C)C)(C)C	0.675	0.698	0.894	0.579	0.916	0.778	0.946	0.965	0.445	0.502	0.819
Compound_771	OC[C@@H]1N[C@H]([C@@H]([C@H]1O)O)CO	0.005	0.358	0.008	0.295	0.01	0.026	0.001	0.32	0.091	0.031	0.063
Compound_772	Oc1ccc(cc1)CCc1cc(O)cc(c1)O	0.841	0.714	0.692	0.629	0.939	0.907	0.995	0.943	0.826	0.267	0.283
Compound_773	COc1cc(=O)n(c2c1ccc1c2OCO1)C	0.532	0.715	0.991	0.503	0.371	0.303	0.478	0.206	0.544	0.064	0.429
Compound_774	COC(=O)[C@@H](Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.785	0.517	0.793	0.745	0.294	0.347	0.883	0.812	0.445	0.738	0.659
Compound_775	CC(=N)C(=O)O	0.458	0.118	0.024	0.155	0.05	0.018	0.406	0.109	0.351	0.014	0.49
Compound_776	OC(=O)CCC(=O)c1ccccc1C(=O)O	0.389	0.154	0.213	0.268	0.158	0.077	0.94	0.122	0.474	0.01	0.026
Compound_777	N[C@H](C(=O)O)C(=O)C	0.019	0.099	0.019	0.123	0.04	0.008	0.001	0.004	0.176	0.007	0.151
Compound_778	C[C@](C(=O)O)(CC)N	0.02	0.034	0.011	0.154	0.01	0.001	0.115	0.001	0.18	0.0	0.032
Compound_779	OC(=O)[C@H](Cn1ccc(=O)[nH]c1=O)N	0.071	0.192	0.002	0.166	0.316	0.031	0.007	0.001	0.075	0.004	0.513
Compound_780	OC(=O)[C@H]([C@@H](C(=O)O)C)N	0.007	0.096	0.018	0.125	0.032	0.002	0.01	0.001	0.327	0.011	0.24
Compound_781	OC(=O)[C@@H]([C@@H](C(=O)O)N)O	0.012	0.106	0.007	0.096	0.041	0.031	0.002	0.024	0.252	0.014	0.297
Compound_782	OC[C@@H](C(=O)O)NC(=O)c1cccc(c1O)O	0.063	0.389	0.017	0.246	0.054	0.059	0.006	0.027	0.123	0.02	0.012
Compound_783	CC([C@@H]([C@@H](C(=O)O)O)C(=O)O)C	0.22	0.118	0.029	0.161	0.045	0.025	0.132	0.301	0.334	0.025	0.368
Compound_784	OC(=O)C[C@@H]([C@](C(=O)O)(O)C)C(=O)O	0.13	0.057	0.033	0.101	0.051	0.024	0.202	0.168	0.346	0.008	0.075
Compound_785	OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N	0.108	0.261	0.005	0.228	0.384	0.119	0.019	0.007	0.054	0.008	0.14
Compound_786	CCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.417	0.393	0.01	0.906	0.964	0.986	0.004	0.186	0.351	0.015	0.154
Compound_787	OC[C@@H]([C@@H](C(=O)CO)O)O	0.289	0.106	0.039	0.401	0.054	0.148	0.05	0.006	0.058	0.387	0.103
Compound_788	O=C(c1ccccc1)Nc1cc(Br)c(c(c1)Br)O	0.926	0.699	0.973	0.809	0.611	0.654	0.48	0.946	0.579	0.974	0.903
Compound_789	CCN(C(=O)c1c(sc2c1CCCC2)NC(=O)c1cccs1)CC	0.633	0.624	0.175	0.48	0.304	0.626	0.791	0.908	0.399	0.651	0.291
Compound_790	Cn1ccc(nc1=O)N	0.06	0.207	0.149	0.389	0.089	0.014	0.003	0.007	0.698	0.006	0.102
Compound_791	C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_792	OC(=O)[C@H](c1cc(O)cc(c1)O)N	0.05	0.16	0.67	0.296	0.234	0.1	0.027	0.021	0.552	0.01	0.065
Compound_793	COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O	0.844	0.92	0.973	0.913	0.901	0.987	0.995	0.974	0.892	0.044	0.833
Compound_794	Nc1ccc(cc1)Sc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)N	0.731	0.59	0.902	0.516	0.875	0.742	0.983	0.663	0.74	0.47	0.88
Compound_795	NCC1(CCCC1)c1ccccc1	0.137	0.212	0.068	0.404	0.044	0.33	0.002	0.002	0.626	0.036	0.052
Compound_796	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2)O	0.505	0.788	0.39	0.59	0.961	0.952	0.98	0.423	0.302	0.464	0.892
Compound_797	O=C(Nc1ccc(cc1)I)NC1CCCCC1	0.796	0.428	0.977	0.813	0.5	0.607	0.031	0.6	0.38	0.804	0.223
Compound_798	N#Cc1c(O)nc(cc1c1ccccc1)c1cc(Br)ccc1O	0.939	0.638	0.948	0.655	0.681	0.651	0.984	0.946	0.486	0.64	0.947
Compound_799	O=N(=O)c1ccc(cc1)[C@H]1OC1	0.596	0.382	0.909	0.558	0.551	0.54	0.996	0.678	0.498	0.988	0.835
Compound_800	O=C(c1ccc(o1)C#Cc1ccccc1)Sc1n[nH]c(n1)C(F)(F)F	0.38	0.529	0.302	0.54	0.399	0.656	0.856	0.455	0.432	0.032	0.701
Compound_801	Nc1cncc(n1)Cl	0.261	0.355	0.833	0.482	0.217	0.047	0.005	0.094	0.957	0.623	0.005
Compound_802	O=C([C@H]1CC(=O)N(C1)C1CCCCC1)Nc1cc(Cl)cc(c1)Cl	0.442	0.462	0.732	0.707	0.655	0.529	0.961	0.93	0.472	0.32	0.237
Compound_803	Cc1ccc(cc1)C(=O)N1CCC(CC1)Cc1ccccc1	0.116	0.4	0.286	0.533	0.019	0.902	0.172	0.612	0.429	0.386	0.037
Compound_804	Clc1ccc(cc1)Nc1ncccc1C(=O)O	0.333	0.808	0.681	0.602	0.274	0.873	0.213	0.252	0.511	0.161	0.157
Compound_805	Cc1sc2c(c1)n(c1c2cnn(c1=O)Cc1ccccc1F)C	0.587	0.646	0.9	0.551	0.514	0.714	0.764	0.301	0.474	0.003	0.175
Compound_806	O=C(N1CCC(CC1)c1onc(n1)c1cccs1)Cc1cccs1	0.343	0.625	0.257	0.486	0.603	0.695	0.681	0.864	0.537	0.144	0.064
Compound_807	COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2	0.07	0.577	0.184	0.613	0.229	0.613	0.274	0.333	0.291	0.052	0.228
Compound_808	Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C	0.241	0.694	0.959	0.631	0.431	0.808	0.249	0.844	0.956	0.54	0.231
Compound_809	Nc1nc(sc1C(=O)c1ccccc1)NC(C)(C)C	0.093	0.678	0.683	0.524	0.058	0.697	0.684	0.502	0.46	0.081	0.317
Compound_810	COc1ccc(c2c1c(C)cc(=O)n2C)OC	0.416	0.631	0.941	0.553	0.629	0.175	0.61	0.374	0.688	0.143	0.363
Compound_811	Nc1ccc2c(c1)ncn2c1cccc(c1)C	0.154	0.724	0.762	0.532	0.529	0.347	0.234	0.88	0.797	0.936	0.723
Compound_812	COc1ccc(cc1)Nc1nc(c(s1)C(=O)c1ccc(cc1)OC)N	0.46	0.709	0.897	0.768	0.374	0.877	0.942	0.775	0.693	0.057	0.546
Compound_813	O=C1NC(=O)[C@@H](S1)Cc1ccc(cc1)OCC1(C)CCCCC1	0.408	0.647	0.364	0.64	0.547	0.942	0.665	0.912	0.232	0.029	0.408
Compound_814	COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)N(=O)=O)C(=O)OC[C@H]1COC2(O1)CCN(CC2)c1ccc(cc1)Cl)C	0.412	0.849	0.812	0.568	0.838	0.678	0.659	0.774	0.397	0.781	0.748
Compound_815	O=C1NC(=O)[C@@H](S1)Cc1ccc(cc1)OCc1nc2ccccc2c(=O)n1C	0.488	0.544	0.676	0.503	0.453	0.794	0.935	0.332	0.197	0.119	0.353
Compound_816	O=C(Nc1cc(C)cc(c1)C)Cc1ccc(cc1)OC(C(=O)O)(C)C	0.102	0.685	0.192	0.511	0.249	0.782	0.54	0.034	0.338	0.024	0.21
Compound_817	C1CCN(CC1)C[C@H]1CONC(=N1)c1cccnc1	0.378	0.406	0.206	0.148	0.039	0.589	0.001	0.011	0.25	0.095	0.188
Compound_818	CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2	0.745	0.575	0.309	0.537	0.649	0.217	0.026	0.314	0.103	0.329	0.362
Compound_819	C1CCC(CC1)(N1CCCC1)c1ccccc1	0.168	0.237	0.235	0.157	0.033	0.705	0.138	0.038	0.356	0.087	0.191
Compound_820	C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1	0.094	0.49	0.036	0.623	0.064	0.582	0.001	0.046	0.544	0.0	0.089
Compound_821	FC(COCC(F)(F)F)(F)F	0.917	0.098	0.314	0.597	0.219	0.063	0.835	0.611	0.217	0.999	0.979
Compound_822	O=CN(CC(=O)O)O	0.078	0.09	0.011	0.109	0.123	0.106	0.01	0.211	0.098	0.074	0.536
Compound_823	N1CCC(CC1)CCc1cc(nc2c1cccc2)c1ccccc1	0.131	0.336	0.209	0.607	0.754	0.796	0.647	0.359	0.6	0.039	0.234
Compound_824	O=C(N1C[C@@H]2[C@H](C1)CCCC2)C[C@@H](C(=O)O)Cc1ccccc1	0.175	0.456	0.044	0.272	0.08	0.207	0.412	0.047	0.407	0.162	0.065
Compound_825	COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC	0.59	0.717	0.739	0.532	0.853	0.655	0.998	0.76	0.367	0.301	0.801
Compound_826	CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1	0.387	0.731	0.45	0.51	0.522	0.693	0.132	0.178	0.511	0.02	0.394
Compound_827	O=C1NC(=O)[C@H](S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1	0.544	0.623	0.984	0.618	0.739	0.656	0.986	0.963	0.284	0.274	0.863
Compound_828	Clc1ccc2c(c1)nc(s2)Cn1c(=O)ccn(c1=O)CC(=O)O	0.573	0.4	0.97	0.464	0.572	0.781	0.366	0.692	0.256	0.239	0.514
Compound_829	OC(=O)CNS(=O)(=O)c1ccc(cc1)N1CCC(CC1)c1ccccc1	0.077	0.366	0.005	0.149	0.318	0.231	0.165	0.329	0.203	0.096	0.215
Compound_830	ONC(=O)[C@H]1N(CCCSC1(C)C)S(=O)(=O)c1ccc(cc1)OC	0.207	0.594	0.162	0.413	0.293	0.528	0.005	0.023	0.372	0.151	0.413
Compound_831	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br	0.812	0.736	1.0	0.724	0.5	0.653	0.638	0.919	0.878	0.974	0.522
Compound_832	ONC(=O)C1(CCOCC1)CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)Cl	0.505	0.571	0.884	0.513	0.575	0.856	0.021	0.36	0.394	0.623	0.5
Compound_833	O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N	0.271	0.669	0.814	0.573	0.138	0.812	0.699	0.186	0.609	0.027	0.807
Compound_834	ONC(=O)[C@H](N([P@](=O)(c1ccccc1)C)Cc1ccccc1)CC(C)C	0.226	0.609	0.934	0.417	0.59	0.401	0.008	0.312	0.193	0.013	0.523
Compound_835	COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C	0.406	0.657	0.984	0.547	0.763	0.707	0.989	0.727	0.688	0.411	0.722
Compound_836	N#Cc1ccc(cn1)C(=O)N1CCC2(CC1)N=C(N)c1c(N2)c(F)ccc1F	0.565	0.661	0.171	0.437	0.422	0.389	0.143	0.698	0.355	0.007	0.451
Compound_837	Clc1ccc(cc1)c1cnc2c(n1)c(ccc2)C(=O)N	0.334	0.646	0.072	0.474	0.242	0.24	0.415	0.024	0.405	0.264	0.672
Compound_838	Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1	0.65	0.667	0.973	0.588	0.905	0.659	0.995	0.964	0.398	0.959	0.918
Compound_839	COc1cc(OCC(=O)O)cc2c1c(=O)cc(o2)c1ccc(c(c1)OC)OC	0.679	0.768	0.721	0.644	0.829	0.485	0.652	0.673	0.271	0.114	0.678
Compound_840	OC(=O)[C@H](Cn1c(=O)[nH]c(=O)c2c1CCC2)N	0.12	0.323	0.002	0.172	0.067	0.066	0.001	0.005	0.161	0.012	0.476
Compound_841	ClCCN(=O)(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl	0.661	0.306	0.027	0.429	0.784	0.061	0.0	0.88	0.333	0.008	0.538
Compound_842	COc1nc(C)cnc1NS(=O)(=O)c1cccnc1c1ccc(cc1)c1nnco1	0.344	0.392	0.738	0.41	0.565	0.657	0.989	0.754	0.415	0.072	0.241
Compound_843	O=C1N=c2n(C31Cc1c(C3)cccc1)cccc2	0.377	0.667	0.965	0.595	0.135	0.416	0.005	0.951	0.511	0.013	0.251
Compound_844	Fc1ccc(cc1)c1ncoc1c1ccc2n(c1)c(nn2)C(C)C	0.31	0.621	0.491	0.742	0.614	0.892	0.955	0.461	0.59	0.047	0.277
Compound_845	Oc1ccc(cc1)C1=Cc2c(OC1)cc(cc2)O	0.693	0.864	0.456	0.646	0.964	0.897	0.979	0.858	0.847	0.48	0.985
Compound_846	OC[C@@H]1NC[C@@H]([C@H]1O)O	0.002	0.408	0.005	0.176	0.012	0.016	0.002	0.028	0.075	0.009	0.061
Compound_847	O=C1NC(=O)[C@@H](S1)Cc1ccc(cc1)C(=O)CCc1nc(oc1C)c1ccccc1	0.316	0.62	0.796	0.482	0.59	0.62	0.984	0.963	0.248	0.167	0.46
Compound_848	CC(OC(=O)c1cc(ccc1Cl)NC(=O)C1=C(C)OCCS1)C	0.374	0.705	0.984	0.72	0.737	0.887	0.955	0.231	0.505	0.992	0.624
Compound_849	NS(=O)(=O)c1ccc(cc1)Nc1nccc(n1)c1cnc2n1cccc2	0.411	0.361	0.007	0.212	0.638	0.609	0.87	0.044	0.38	0.051	0.5
Compound_850	CN(C/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br)C	0.724	0.634	0.963	0.48	0.483	0.653	0.695	0.672	0.644	0.532	0.14
Compound_851	COc1ccc(cc1F)c1c(Cl)ncn1c1ccc(cc1)S(=O)(=O)N	0.393	0.418	0.165	0.522	0.58	0.689	0.182	0.235	0.218	0.253	0.529
Compound_852	O=C(Nc1cc(Br)c(c(c1)Br)Oc1ccc(c(c1)C(C)C)O)CC(=O)O	0.48	0.663	0.668	0.572	0.647	0.653	0.8	0.427	0.411	0.717	0.203
Compound_853	CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F	0.952	0.525	0.979	0.173	0.905	0.653	0.912	0.985	0.95	0.879	0.918
Compound_854	O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C	0.645	0.665	0.22	0.357	0.905	0.098	0.994	0.069	0.629	0.078	0.204
Compound_855	OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C	0.2	0.574	0.093	0.423	0.265	0.623	0.466	0.042	0.386	0.159	0.223
Compound_856	OC(=O)c1cscn1	0.247	0.406	0.129	0.295	0.191	0.542	0.735	0.052	0.686	0.015	0.647
Compound_857	OC(=O)c1cccc2c1[nH]c(c2c1ccccc1)c1ccccc1	0.305	0.614	0.612	0.504	0.937	0.742	0.993	0.333	0.665	0.017	0.768
Compound_858	O=CCCC[C@@H](C(=O)O)N	0.007	0.006	0.022	0.163	0.019	0.177	0.002	0.007	0.127	0.0	0.03
Compound_859	O[C@@H]1CO[C@@H]([C@@H]([C@H]1O)O)O	0.512	0.183	0.043	0.508	0.037	0.292	0.015	0.246	0.348	0.093	0.0
Compound_860	NC(=O)C[C@H](C(=O)O)N	0.01	0.098	0.002	0.109	0.046	0.005	0.001	0.004	0.216	0.0	0.05
Compound_861	NC(=N)NCCCC[C@@H](C(=O)O)N	0.013	0.099	0.02	0.091	0.018	0.21	-0.0	0.016	0.029	0.0	0.023
Compound_862	NCCCC[C@@H](C(=O)N)N	0.075	0.051	0.002	0.153	0.004	0.011	0.0	0.001	0.144	0.012	0.129
Compound_863	N[C@@H](C(=O)O)CCl	0.045	0.027	0.017	0.394	0.167	0.014	0.002	0.653	0.145	0.002	0.32
Compound_864	CSCC[C@@H](C(=O)O)NC(=O)C	0.004	0.052	0.028	0.168	0.119	0.004	0.001	0.057	0.282	0.006	0.04
Compound_865	CNCCCC[C@@H](C(=O)O)N	0.012	0.074	0.009	0.121	0.01	0.001	-0.0	0.006	0.032	0.0	0.02
Compound_866	OCCCCC(=O)O	0.26	0.149	0.077	0.142	0.064	0.021	0.914	0.206	0.084	0.022	0.107
Compound_867	C[S@](=O)CC[C@@H](C(=O)O)N	0.008	0.059	0.017	0.198	0.048	0.004	0.001	0.003	0.279	0.008	0.141
Compound_868	CNC(=O)CC[C@@H](C(=O)O)N	0.002	0.031	0.004	0.193	0.012	0.004	0.0	0.023	0.183	0.001	0.016
Compound_869	OCC(=O)[C@@H]([C@H](COP(=O)(O)O)O)O	0.367	0.172	0.003	0.334	0.081	0.173	0.05	0.007	0.121	0.208	0.126
Compound_870	NC(=N)NCCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	0.008	0.043	0.018	0.083	0.098	0.112	0.001	0.037	0.285	0.001	0.048
Compound_871	O[C@@H]1C[C@@H](O)[C@H](O[C@@H]1C)O	0.601	0.196	0.006	0.466	0.027	0.197	0.047	0.215	0.225	0.152	-0.003
Compound_872	O=N(=O)c1ccc(cc1)OP(=O)(O)O	0.962	0.443	0.599	0.439	0.823	0.069	0.985	0.178	0.174	0.031	0.708
Compound_873	N=C(N[C@@H](C(=O)O)CC(=O)O)NCCC[C@@H](C(=O)O)N	0.015	0.068	0.036	0.075	0.105	0.131	0.002	0.058	0.23	0.0	0.059
Compound_874	NCCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	0.005	0.024	0.004	0.084	0.103	0.006	0.001	0.001	0.277	0.001	0.041
Compound_875	O[C@@H]([C@H](c1c[nH]c2c1cccc2)O)COP(=O)(O)O	0.186	0.531	0.46	0.334	0.338	0.597	0.002	0.009	0.367	0.051	0.244
Compound_876	OC(=O)[C@H](CC[S@@](=O)(=N)C)N	0.014	0.099	0.02	0.156	0.058	0.007	0.0	0.011	0.279	0.0	0.317
Compound_877	OC(=O)[C@H](CCCNC(=N)N(C)C)N	0.003	0.085	0.007	0.134	0.029	0.105	0.0	0.019	0.046	0.0	0.026
Compound_878	OC(=O)CSC[C@@H](C(=O)O)N	0.052	0.053	0.008	0.2	0.205	0.011	0.001	0.011	0.254	0.002	0.141
Compound_879	CNC(=N)NCCC[C@@H](C(=O)O)N	0.005	0.086	0.022	0.148	0.022	0.091	0.0	0.025	0.037	0.0	0.015
Compound_880	OP(=O)(OCCCc1c[nH]c2c1cccc2)O	0.289	0.477	0.761	0.349	0.337	0.6	0.035	0.047	0.614	0.071	0.376
Compound_881	CCCCCCCc1cc(O)c2c(n1=O)cccc2	0.737	0.513	0.367	0.581	0.94	0.792	0.721	0.995	0.771	0.939	0.817
Compound_882	Cc1ncsc1CCOP(=O)(O)O	0.523	0.475	0.146	0.282	0.09	0.514	0.692	0.021	0.589	0.016	0.387
Compound_883	OC(=O)C[C@@H](C(=O)C(=O)O)C(=O)O	0.152	0.029	0.06	0.152	0.046	0.089	0.433	0.219	0.331	0.004	0.055
Compound_884	OC(=O)C(=O)/C=C/c1ccccc1O	0.852	0.207	0.356	0.474	0.18	0.184	0.164	0.663	0.141	0.86	0.435
Compound_885	Cc1noc(c1)CCCCCOc1ccc(cc1Cl)C1=NCCO1	0.713	0.748	0.9	0.666	0.923	0.711	0.355	0.694	0.611	0.432	0.571
Compound_886	Cc1noc(c1)CCCCCOc1ccc(cc1)C1=NCCO1	0.696	0.683	0.792	0.626	0.86	0.808	0.388	0.645	0.621	0.3	0.433
Compound_887	C[C@H]1COC(=N1)c1ccc(c(c1)Cl)OCCCCCCCc1onc(c1)C	0.726	0.748	0.885	0.639	0.919	0.719	0.333	0.757	0.572	0.381	0.563
Compound_888	Cc1noc(c1)CCCCCOc1c(Cl)cc(cc1Cl)C1=NCCO1	0.725	0.748	0.9	0.67	0.89	0.716	0.414	0.486	0.621	0.432	0.571
Compound_889	C[C@H]1COC(=N1)c1ccc(cc1)OCCCCCc1onc(c1)C	0.678	0.698	0.765	0.648	0.853	0.812	0.337	0.729	0.573	0.262	0.471
Compound_890	CC[C@H]1COC(=N1)c1ccc(cc1)OCCCCCCCc1onc(c1)C	0.752	0.703	0.746	0.634	0.845	0.819	0.337	0.721	0.586	0.296	0.643
Compound_891	Cc1noc(c1)CCCCCCCOc1ccc(cc1)C1=NCCO1	0.726	0.683	0.792	0.626	0.853	0.816	0.388	0.645	0.593	0.3	0.433
Compound_892	C[C@@H]1COC(=N1)c1ccc(cc1)OCCCCCCCc1onc(c1)C	0.707	0.698	0.765	0.648	0.845	0.819	0.337	0.729	0.55	0.262	0.471
Compound_893	Cc1noc(c1)CCCOc1c(Cl)cc(cc1Cl)C1=NCCO1	0.569	0.708	0.919	0.66	0.875	0.697	0.474	0.352	0.65	0.071	0.593
Compound_894	OC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)N	0.06	0.23	0.02	0.286	0.096	0.05	0.013	0.0	0.119	0.001	0.063
Compound_895	NC(=N)NCCC[C@@H](C(=O)O)NCCC(=O)O	0.006	0.074	0.018	0.089	0.063	0.069	0.001	0.016	0.172	0.002	0.07
Compound_896	NC(=N)NCCC[C@H](N1CCC1=O)C(=O)O	0.008	0.221	0.046	0.139	0.078	0.203	0.0	0.15	0.021	0.0	0.187
Compound_897	NC(=N)NC[C@H]1COC2(O1)CCCCC2	0.083	0.43	0.038	0.289	0.07	0.462	0.002	0.462	0.287	0.011	0.153
Compound_898	CCC(=O)O[C@@](c1ccccc1)([C@H](CN(C)C)C)Cc1ccccc1	0.04	0.537	0.004	0.136	0.127	0.221	0.008	0.105	0.129	0.183	0.211
Compound_899	COCCCOc1ccnc(c1C)C[S@](=O)c1nc2c([nH]1)cccc2	0.287	0.604	0.997	0.509	0.323	0.723	0.417	0.935	0.382	0.134	0.084
Compound_900	CC[C@@H](C(c1ccccc1)(c1ccccc1)C[C@@H](N(C)C)C)OC(=O)C	0.498	0.629	0.033	0.15	0.174	0.437	0.003	0.239	0.269	0.005	0.368
Compound_901	CN(Cc1cccc2c1cccc2)Cc1ccc(cc1)C(C)(C)C	0.555	0.524	0.182	0.239	0.303	0.911	0.107	0.1	0.503	0.472	0.087
Compound_902	N[C@H](c1ccccc1)C(=O)N[C@@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl	0.351	0.236	0.022	0.622	0.281	0.258	0.001	0.395	0.069	0.083	0.29
Compound_903	N[C@H](C(=O)O)CCON	0.008	0.12	0.019	0.152	0.043	0.012	0.003	0.019	0.051	0.001	0.318
Compound_904	CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0.01	0.06	0.012	0.374	0.224	0.021	0.0	0.015	0.103	0.006	0.067
Compound_905	O[C@@H]([C@@H](C(=O)C)O)COP(=O)(O)O	0.487	0.162	0.008	0.362	0.052	0.094	0.155	0.01	0.257	0.016	0.145
Compound_906	CC(=O)CSCCS(=O)(=O)O	0.43	0.146	0.049	0.297	0.216	0.176	0.845	0.095	0.39	0.895	0.239
Compound_907	C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C	0.94	0.659	0.054	0.616	0.051	0.743	0.989	0.1	0.167	0.009	0.221
Compound_908	N#Cc1ccccc1OC[C@@H](CNCCNC(=O)Cc1ccc(cc1)O)O	0.027	0.524	0.002	0.194	0.368	0.234	0.02	0.026	0.354	0.31	0.376
Compound_909	O[C@H](COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1	0.051	0.156	0.002	0.16	0.391	0.098	0.002	0.019	0.389	0.674	0.129
Compound_910	OCc1nn(c(n1)NCCCOc1cccc(c1)CN1CCCCC1)C	0.223	0.571	0.641	0.286	0.07	0.477	0.032	0.197	0.183	0.031	0.529
Compound_911	NC(=O)CC[C@@H](C(=O)O)N	0.003	0.01	0.002	0.143	0.017	0.008	0.0	0.001	0.154	0.0	0.02
Compound_912	CSCC[C@@H](C(=O)O)N	0.01	0.064	0.028	0.191	0.085	0.004	0.001	0.008	0.219	0.002	0.047
Compound_913	N[C@H](C(=O)O)CCCN	0.005	0.056	0.013	0.111	0.016	0.003	0.0	0.003	0.039	0.0	0.031
Compound_914	OC(=O)c1cc(nc2c1c1[nH]c(cc1C(=O)C2=O)C(=O)O)C(=O)O	0.381	0.567	0.202	0.446	0.484	0.632	0.351	0.256	0.399	0.236	0.879
Compound_915	OCC(=O)C(=O)O	0.505	0.049	0.078	0.206	0.056	0.073	0.091	0.343	0.022	0.007	0.375
Compound_916	O[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)O	0.512	0.183	0.043	0.508	0.037	0.292	0.015	0.246	0.348	0.093	0.0
Compound_917	OC[C@@H]([C@H](CC(=O)C(=O)O)O)O	0.161	0.07	0.021	0.204	0.064	0.115	0.01	0.027	-0.006	0.03	0.146
Compound_918	OC[C@@H]([C@H]1OC(=O)C(=O)C1=O)O	0.429	0.183	0.029	0.42	0.058	0.24	0.023	0.01	0.176	0.042	0.176
Compound_919	OP(=O)(OCC[N+](C)(C)C)O	0.384	0.207	0.009	0.281	0.034	0.024	0.019	0.003	0.045	0.008	0.305
Compound_920	OC(=O)CC[C@@H](C(=O)O)NC(=O)C	0.002	0.001	0.023	0.066	0.034	0.004	0.001	0.017	0.316	0.007	0.011
Compound_921	N[C@H](C(=O)O)CCC[C@@H](C(=O)O)N	0.016	0.024	0.022	0.16	0.012	0.004	0.001	0.002	0.017	0.001	0.028
Compound_922	OC[C@H](CO[P@@](=O)(OCC[N+](C)(C)C)O)O	0.282	0.217	0.001	0.281	0.077	0.045	0.003	0.0	0.12	0.007	0.27
Compound_923	O[C@H]([C@H](CC(=O)C(=O)O)O)C(=O)O	0.143	0.032	0.016	0.193	0.004	0.056	0.01	0.509	0.089	0.006	0.04
Compound_924	OC(=O)C[N+](C)(C)C	0.06	0.03	0.014	0.234	0.05	0.0	0.003	0.354	0.058	0.0	0.062
Compound_925	OC[C@]1(O)OC[C@@H]([C@H]([C@@H]1O)O)O	0.544	0.278	0.045	0.469	0.059	0.263	0.016	0.337	0.557	0.55	0.004
Compound_926	NCCCC[C@@H](C(=O)CCl)NS(=O)(=O)c1ccc(cc1)C	0.885	0.201	0.029	0.177	0.439	0.308	0.012	0.023	0.95	0.002	0.099
Compound_927	OCC(C(=O)C(=O)O)(C)C	0.341	0.038	0.022	0.196	0.056	0.069	0.924	0.189	0.083	0.004	0.336
Compound_928	O[C@@H]1[C@H](C)O[C@@H]([C@H]([C@@H]1O)O)O	0.553	0.2	0.028	0.477	0.027	0.197	0.047	0.149	0.58	0.402	0.0
Compound_929	OC[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	0.444	0.195	0.004	0.317	0.081	0.098	0.035	0.001	0.137	0.441	0.096
Compound_930	OC(=O)CCCCCC(=O)[C@@H](N)C	0.054	0.063	0.05	0.12	0.025	0.014	0.001	0.036	0.034	0.017	0.021
Compound_931	O=CCC[C@@H](C(=O)O)N	0.006	0.006	0.02	0.156	0.035	0.134	0.001	0.01	0.077	0.0	0.03
Compound_932	CC/C=C/C[C@@H]1[C@H](CCCCCCCC(=O)O)C=CC1=O	0.961	0.384	0.258	0.239	0.691	0.035	0.8	0.053	0.07	0.949	0.095
Compound_933	C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C	0.247	0.411	0.3	0.349	0.201	0.689	0.607	0.472	0.419	0.793	0.267
Compound_934	Fc1ccc(cc1)n1cc(c2c1cccc2)CCCCN1CCC2(CC1)OCc1c2cccc1	0.186	0.674	0.021	0.212	0.755	0.712	0.961	0.176	0.73	0.459	0.687
Compound_935	CCN(CCCCCCNc1cc(OC)cc2c1nccc2C)CC	0.09	0.523	0.522	0.273	0.238	0.894	0.019	0.572	0.601	0.841	0.848
Compound_936	NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN	0.367	0.549	0.813	0.546	0.138	0.097	0.019	0.139	0.391	0.005	0.933
Compound_937	C#CC[C@H](c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N	0.518	0.52	0.031	0.207	0.558	0.593	0.571	0.569	0.381	0.871	0.918
Compound_938	C[C@@H](C(=O)O)C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O	0.065	0.577	0.041	0.286	0.037	0.218	0.787	0.693	0.403	0.071	0.018
Compound_939	CCOCn1c(=O)[nH]c(=O)c(c1Cc1ccccc1)C(C)C	0.332	0.54	0.409	0.424	0.103	0.677	0.565	0.03	0.317	0.052	0.537
Compound_940	OC/C=C/c1n(C)c2c(c1CO)C(=O)C(=CC2=O)N1CC1	0.609	0.608	0.089	0.284	0.736	0.646	0.015	0.379	0.308	0.076	0.874
Compound_941	OC(=O)CCCCO/N=C(\c1cccc(c1)C(F)(F)F)/c1cccnc1	0.336	0.576	0.349	0.401	0.43	0.553	0.898	0.476	0.183	0.003	0.708
Compound_942	Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1noc(n1)C(F)(F)F	0.338	0.714	0.876	0.625	0.686	0.826	0.644	0.84	0.691	0.18	0.697
Compound_943	CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2	0.625	0.659	0.125	0.305	0.209	0.748	0.075	0.09	0.354	0.478	0.344
Compound_944	NC(=N)NCc1cccc(c1)I	0.392	0.293	0.221	0.363	0.04	0.898	0.001	0.601	0.344	0.003	0.089
Compound_945	CCCCCCOc1cc(C)c(c(c1C)C)O	0.549	0.531	0.269	0.606	0.53	0.194	0.183	0.948	0.851	0.962	0.97
Compound_946	NC(=O)Cc1c(C)n(c2c1cc(OCCCP(=O)(O)O)cc2)Cc1ccccc1	0.254	0.737	0.82	0.41	0.768	0.704	0.923	0.087	0.4	0.103	0.337
Compound_947	CCCC1(CCC)CCC2(CC1)CCN(C2)CCCN(CC)CC	0.858	0.512	0.06	0.196	0.076	0.809	0.882	0.314	0.632	0.775	0.166
Compound_948	O=C(NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C)Cc1c(cc(cc1C(C)C)C(C)C)C(C)C	0.182	0.676	0.378	0.357	0.044	0.89	0.773	0.172	0.282	0.485	0.45
Compound_949	OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O	0.314	0.522	0.05	0.276	0.215	0.46	0.001	0.032	0.078	0.027	0.213
Compound_950	COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OCCCCON(=O)=O)C	0.226	0.716	0.352	0.696	0.557	0.875	0.954	0.667	0.581	0.699	0.412
Compound_951	N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2	0.296	0.52	0.969	0.356	0.472	0.649	0.987	0.224	0.43	0.171	0.729
Compound_952	OCCOCn1cc(Sc2ccccc2)c(=O)[nH]c1=O	0.471	0.265	0.098	0.412	0.401	0.57	0.056	0.048	0.314	0.041	0.466
Compound_953	O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1	0.799	0.685	0.721	0.618	0.695	0.69	0.886	0.771	0.483	0.753	0.666
Compound_954	COc1cc(CCNC[C@@H](COc2cccc(c2)C)O)ccc1OC	0.011	0.433	0.018	0.284	0.064	0.098	0.036	0.027	0.354	0.051	0.155
Compound_955	O[C@H](CSc1scc(n1)c1ccc(s1)C(=O)N)CNC(C)(C)C	0.419	0.48	0.055	0.715	0.5	0.741	0.058	0.009	0.37	0.021	0.465
Compound_956	CCCCCCNC(=O)n1cc(F)c(nc1=O)O	0.119	0.339	0.023	0.384	0.256	0.141	0.0	0.344	0.85	0.001	0.854