Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(c1cccc(c1N=C=O)C(C)C)C	0.479	0.427	0.849	0.695	0.158	0.148	0.585	0.15	0.659	0.667	0.545
Compound_2	CCC(c1ccccc1)(N(C)C)CO	0.028	0.354	0.068	0.184	0.002	0.123	0.004	0.385	0.126	0.016	0.067
Compound_3	CCCCCCCCCCCCNCCNCCNCC(=O)O	0.037	0.054	0.019	0.147	0.119	0.014	0.024	0.012	0.178	0.024	0.051
Compound_4	CC(C(=O)Cl)C	0.912	0.127	0.336	0.662	0.035	0.051	0.998	0.998	0.14	0.994	0.943
Compound_5	CCCC[n+]1ccccc1	0.628	0.353	0.433	0.675	0.029	0.33	0.08	0.982	0.938	0.083	0.15
Compound_6	BrC1CCC(Br)C(Br)CCC(C(CCC1O)Br)Br	0.891	0.149	0.054	0.603	0.287	0.461	0.932	0.517	0.108	0.989	0.5
Compound_7	C[C@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=N[C@H](C(=O)O)Cc1ccccc1)O	0.613	0.531	0.074	0.39	0.805	0.765	0.919	0.007	0.429	0.682	0.107
Compound_8	C=CCC(C)C	0.894	0.048	0.769	0.643	0.138	0.001	0.979	0.959	0.26	0.997	0.795
Compound_9	CCCCCC(c1ccc(cc1)O)CC	0.933	0.154	0.153	0.536	0.648	0.725	0.813	0.98	0.531	0.972	0.749
Compound_10	O=C(C(=O)O)Cc1ccccc1	0.353	0.092	0.246	0.28	0.025	0.05	0.99	0.024	0.155	0.004	0.054
Compound_11	CCOc1nc(O)cc(=O)[nH]1	0.149	0.363	0.173	0.415	0.307	0.082	0.349	0.02	0.298	0.002	0.706
Compound_12	C=Cn1cc[n+](c1)C	0.179	0.296	0.459	0.58	0.482	0.096	0.01	0.918	0.83	0.41	0.631
Compound_13	COC(=O)C(C(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F	0.853	0.069	0.437	0.703	0.304	0.088	0.969	0.925	0.328	0.185	0.869
Compound_14	C=CC(=O)OC(C(=O)c1ccccc1)c1ccccc1	0.548	0.584	0.896	0.68	0.086	0.74	0.987	0.995	0.421	0.85	0.802
Compound_15	Nc1c(Cl)cc(cc1Cl)C(F)(F)F	0.946	0.385	0.951	0.656	0.5	0.296	0.996	0.892	0.821	0.991	0.549
Compound_16	CCC1(CC)C(=O)NC(=O)NC1=O	0.232	0.259	0.108	0.234	0.057	0.059	0.003	0.035	0.217	0.02	0.104
Compound_17	CCCCCc1nc2CCCCc2c2c1CCCC2	0.433	0.41	0.396	0.542	0.425	0.751	0.557	0.87	0.432	0.705	0.685
Compound_18	Clc1cccc(c1)S(=O)C	0.88	0.324	0.81	0.638	0.589	0.603	0.98	0.459	0.4	1.0	0.4
Compound_19	CCOc1c2C(OC(=O)c2c(c(c1OCC)OCC)N)C1N(C)CCc2c1c(OC)c1c(c2)OCO1	0.663	0.768	0.989	0.184	0.511	0.615	0.869	0.033	0.383	0.033	0.915
Compound_20	CCCCOCc1ccc(c(c1)OC)O	0.536	0.278	0.278	0.695	0.714	0.042	0.695	0.147	0.541	0.903	0.833
Compound_21	CN(CCN(c1ccccn1)Cc1ccccc1)C	0.028	0.609	0.006	0.066	0.044	0.518	0.004	0.0	0.511	0.003	0.039
Compound_22	Nc1nc(nc(n1)C(F)C)NC1C(C)Cc2c1cc(C)cc2	0.37	0.631	0.315	0.478	0.295	0.479	0.045	0.281	0.821	0.314	0.507
Compound_23	COc1cc(N(=O)=O)c(cc1Cl)OC	0.927	0.275	0.824	0.682	0.682	0.613	0.998	0.938	0.582	0.993	0.946
Compound_24	Cc1c(CNCS(=O)(=O)O)c(=O)n(n1C)c1ccccc1	0.278	0.405	0.003	0.223	0.205	0.499	0.011	0.037	0.398	0.024	0.431
Compound_25	CCCCCCCCNC(C(c1ccc(cc1)SC(C)C)O)C	0.021	0.286	0.009	0.109	0.251	0.215	0.005	0.031	0.901	0.886	0.078
Compound_26	CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)N	0.026	0.423	0.109	0.187	0.052	0.636	0.025	0.021	0.688	0.508	0.491
Compound_27	CC(c1ccccc1C(C)C)C	0.742	0.082	0.685	0.567	0.078	0.017	0.823	0.273	0.65	0.996	0.329
Compound_28	CN([C@@H]1C(=C(C(=N)O)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(cc(c(c3C(=O)C1=C2O)O)N)N(C)C)O)O)C	0.416	0.716	0.005	0.186	0.742	0.706	0.772	0.085	0.345	0.019	0.167
Compound_29	CCCNc1ccc(cc1)C(=O)OCC(CN(C)C)O	0.024	0.35	0.372	0.206	0.039	0.107	0.004	0.02	0.346	0.001	0.132
Compound_30	O=C1OCCO1	0.687	0.149	0.403	0.535	0.084	0.113	0.919	0.762	0.569	0.548	0.391
Compound_31	COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)C	0.32	0.338	0.083	0.238	0.124	0.623	0.005	0.024	0.388	0.208	0.445
Compound_32	O=N(=O)OCC(CON(=O)=O)(CON(=O)=O)CON(=O)=O	0.81	0.214	0.2	0.482	0.063	0.189	0.07	0.935	0.678	0.415	0.427
Compound_33	O=CC=Cc1ccccc1	0.95	0.234	0.807	0.726	0.069	0.544	0.999	0.89	0.973	0.998	0.734
Compound_34	CCCCCCCCCCCC(=O)OCCC(C)C	0.903	0.012	0.673	0.719	0.083	0.055	0.999	0.42	0.101	0.996	0.89
Compound_35	CCN1CCCC1=O	0.186	0.403	0.294	0.486	0.007	0.023	0.042	0.059	0.296	0.933	0.506
Compound_36	CCN(c1ccc(cc1)N)CC	0.523	0.433	0.93	0.534	0.075	0.514	0.018	0.987	0.857	0.96	0.33
Compound_37	CCCOc1ccc(c2c1sc1ccccc1c2=O)Cl	0.744	0.675	0.933	0.605	0.77	0.692	0.831	0.89	0.561	0.972	0.875
Compound_38	CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C	0.225	0.75	0.005	0.108	0.155	0.516	0.002	0.027	0.504	0.003	0.087
Compound_39	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F	0.705	0.114	0.159	0.641	0.247	0.207	0.938	0.925	0.32	0.889	0.205
Compound_40	Oc1ccc2c(c1)cccc2	0.953	0.831	0.958	0.617	0.812	0.609	0.999	0.893	0.899	0.991	0.949
Compound_41	O=C(c1ccccc1)OOC(C)(C)C	0.845	0.138	0.473	0.58	0.037	0.124	0.744	0.084	0.825	0.745	0.39
Compound_42	OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO	0.505	0.196	0.017	0.386	0.037	0.098	0.006	0.086	0.14	0.013	0.5
Compound_43	COc1c(Br)cc(cc1Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)OC	0.801	0.648	0.805	0.75	0.605	0.66	0.971	0.061	0.511	0.955	0.65
Compound_44	O=Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.095	0.25	0.287	0.192	0.232	0.378	0.02	0.03	0.079	0.117	0.161
Compound_45	OC(=O)C1CCN1C12CC3CC(C2)CC(C1)C3	0.366	0.483	0.011	0.142	0.402	0.284	0.011	0.184	0.283	0.006	0.355
Compound_46	Cc1cc(ccc1Oc1ccc(cc1)S(=O)C(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C	0.379	0.516	0.044	0.604	0.621	0.694	0.979	0.411	0.472	0.024	0.468
Compound_47	COC1CCC=CO1	0.648	0.275	0.243	0.591	0.127	0.088	0.999	0.786	0.706	0.592	0.255
Compound_48	Brc1c(O)c(cc(c1C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C(C)C)c(c(c1C)Br)O)C(C)C	0.341	0.562	0.359	0.671	0.695	0.683	0.062	0.205	0.583	0.997	0.41
Compound_49	C1CN=C(N1)Cc1cccc2c1cccc2	0.025	0.196	0.17	0.128	0.005	0.098	0.006	0.013	0.474	0.021	0.066
Compound_50	CNC(Cc1cccs1)C	0.108	0.324	0.285	0.284	0.094	0.491	0.034	0.175	0.524	0.517	0.117
Compound_51	CCCN(c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O)CCC	0.82	0.265	0.069	0.569	0.707	0.074	0.645	0.941	0.741	0.82	0.814
Compound_52	ClC(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)Cl	0.856	0.13	0.352	0.665	0.608	0.555	0.846	0.995	0.127	0.998	0.642
Compound_53	OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1	0.46	0.57	0.113	0.315	0.246	0.289	0.106	0.053	0.409	0.069	0.231
Compound_54	Oc1cccc(c1)c1cc(Cl)c(c(c1Cl)Cl)Cl	0.979	0.715	0.978	0.785	0.942	0.785	0.984	0.961	0.671	0.991	0.987
Compound_55	CCc1c([nH]n(c1=O)C1CCN(CC1)C)c1ccccc1	0.425	0.503	0.034	0.296	0.048	0.584	0.002	0.045	0.467	0.004	0.128
Compound_56	c1ccc2c(c1)sc1c2cccc1	0.951	0.745	0.976	0.623	0.509	0.381	0.996	0.33	0.981	0.999	0.087
Compound_57	Clc1c(ccc(c1Cl)Cl)c1ccc(c(c1Cl)Cl)Cl	0.99	0.389	0.985	0.778	0.779	0.635	0.991	0.924	0.957	0.995	0.816
Compound_58	OC(=O)c1ccc(cc1Cl)S(=O)(=O)C	0.496	0.418	0.266	0.384	0.707	0.611	0.303	0.101	0.396	0.968	0.181
Compound_59	Oc1ccc(cc1)c1cc(Cl)c(c(c1Cl)Cl)Cl	0.98	0.715	0.974	0.785	0.955	0.876	0.981	0.982	0.958	0.991	0.987
Compound_60	Clc1cc(Cl)c(c(c1Cl)N(=O)=O)Cl	0.975	0.122	0.923	0.661	0.093	0.483	0.999	0.998	0.822	0.999	0.936
Compound_61	Cc1ncoc1C#N	0.472	0.328	0.541	0.525	0.34	0.532	0.077	0.175	0.951	0.726	0.899
Compound_62	C#CC1(C)CCCC(O1)(C)C	0.919	0.17	0.052	0.501	0.07	0.302	0.791	0.961	0.54	0.888	0.358
Compound_63	O=C(Nc1ccccc1)ON=C(C)C	0.749	0.504	0.954	0.615	0.345	0.566	0.807	0.317	0.654	0.796	0.593
Compound_64	O=C1C(c2ccccc2)C(=O)c2c1cccc2	0.442	0.812	0.782	0.43	0.412	0.954	0.113	0.14	0.287	0.062	0.987
Compound_65	CCCCCCCC(=O)Cl	0.99	0.042	0.286	0.72	0.103	0.086	1.0	0.999	0.592	1.0	0.979
Compound_66	CCCCOC(=O)c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl	0.698	0.099	0.587	0.468	0.788	0.645	0.963	0.63	0.468	0.679	0.5
Compound_67	OCC1OC(CC1O)n1cnc2c1[nH]cnc2=O	0.345	0.556	0.018	0.329	0.094	0.169	0.001	0.076	0.043	0.145	0.516
Compound_68	OC1CCC2OC(C(C2)C)C(=CCCC2=NCCCC32C(C=C1C)C(=C(CC3)C1C=C(C(=O)O1)C)C)C	0.854	0.88	0.247	0.556	0.851	0.929	0.605	0.956	0.718	0.783	0.798
Compound_69	COP(=O)(OC(=CC(=O)OC(c1ccccc1)C)C)OC	0.679	0.452	0.968	0.678	0.203	0.054	0.996	0.96	0.573	0.98	0.45
Compound_70	NCc1cccc(c1)N	0.745	0.281	0.881	0.547	0.022	0.07	0.047	0.808	0.667	0.141	0.576
Compound_71	O=C1CCCO1	0.747	0.183	0.236	0.676	0.058	0.067	0.997	0.825	0.591	0.713	0.701
Compound_72	COc1cc(OC)nc(n1)NC(=O)Oc1ccccc1	0.653	0.713	0.904	0.479	0.455	0.59	0.3	0.882	0.56	0.034	0.547
Compound_73	COC(=O)c1sccc1S(=O)(=O)N=C=O	0.421	0.378	0.706	0.559	0.111	0.67	0.928	0.601	0.573	0.248	0.242
Compound_74	CCC(c1cc(N=Nc2ccc(cc2)N(=O)=O)cc(c1O)C(CC)C)C	0.871	0.704	0.71	0.682	0.841	0.967	0.727	0.924	0.619	0.991	0.96
Compound_75	OC(=O)[C@@H]([C@H](C(=O)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1	0.263	0.639	0.329	0.369	0.148	0.243	0.948	0.018	0.445	0.011	0.891
Compound_76	C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC1CCCC1	0.952	0.993	0.012	0.436	0.96	0.894	0.142	0.601	0.058	0.992	0.895
Compound_77	CC1CC(C)(C)CC(C1)(c1ccc(cc1)O)c1ccc(cc1)O	0.977	0.687	0.401	0.494	0.988	0.997	0.971	0.619	0.564	0.932	0.881
Compound_78	OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.512	0.467	0.087	0.424	0.737	0.648	0.401	0.7	0.401	0.988	0.334
Compound_79	CCOP(=O)(OP(=O)(OCC)OCC)OCC	0.885	0.12	0.892	0.529	0.071	0.201	0.925	0.226	0.396	0.959	0.584
Compound_80	OP(=O)(Oc1ccccc1)O	0.815	0.261	0.426	0.371	0.138	0.008	0.953	0.003	0.919	0.285	0.374
Compound_81	Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CC=Cc1ccccc1	0.095	0.567	0.113	0.171	0.417	0.639	0.637	0.187	0.957	0.036	0.041
Compound_82	ClCC(=CCl)Cl	0.911	0.246	0.457	0.619	0.523	0.097	0.998	0.974	0.991	0.998	0.962
Compound_83	Clc1ccc(c(c1)N(=O)=O)N	0.978	0.197	0.929	0.677	0.564	0.088	0.98	0.987	0.733	0.999	0.814
Compound_84	COC(=O)C	0.797	0.034	0.313	0.528	0.036	0.01	0.954	0.916	0.955	0.74	0.729
Compound_85	OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C	0.077	0.522	0.828	0.135	0.555	0.234	0.013	0.008	0.293	0.003	0.218
Compound_86	NC(=O)O	0.364	0.096	0.254	0.29	0.629	0.065	0.032	0.684	0.434	0.004	0.239
Compound_87	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.959	0.065	0.855	0.644	0.268	0.06	0.983	0.182	0.292	1.0	0.9
Compound_88	Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12	0.273	0.649	0.86	0.707	0.153	0.569	0.006	0.072	0.342	0.356	0.254
Compound_89	CCC(CCCC(C)C)(O)C	0.902	0.095	0.318	0.513	0.108	0.03	0.849	0.35	0.114	0.977	0.722
Compound_90	O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1	0.171	0.228	0.189	0.187	0.492	0.33	0.001	0.413	0.131	0.891	0.198
Compound_91	O=C1OCCN1N=Cc1ccc(o1)N(=O)=O	0.063	0.419	0.636	0.539	0.526	0.545	0.042	0.98	0.385	0.526	0.194
Compound_92	CCCCN(CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC	0.053	0.382	0.199	0.092	0.911	0.648	0.351	0.177	0.546	0.728	0.647
Compound_93	CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl	0.949	0.468	0.496	0.565	0.801	0.953	0.948	0.966	0.722	0.996	0.862
Compound_94	CC(Cl)C	0.908	0.136	0.523	0.623	0.178	0.033	0.998	0.99	0.787	0.995	0.792
Compound_95	S=c1ccccn1O	0.408	0.359	0.236	0.382	0.359	0.601	0.575	0.01	0.744	0.452	0.815
Compound_96	CCCc1ccc(cc1)Br	0.886	0.12	0.523	0.643	0.162	0.569	0.996	0.296	0.593	0.997	0.218
Compound_97	COc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1OC)C(=O)C	0.518	0.79	0.97	0.696	0.67	0.535	0.163	0.819	0.387	0.961	0.807
Compound_98	COc1nccnc1NS(=O)(=O)c1ccc(cc1)N	0.084	0.271	0.096	0.069	0.106	0.277	0.0	0.005	0.059	0.003	0.089
Compound_99	ClCCN(C(=O)NC1CCCCC1)N=O	0.106	0.276	0.124	0.514	0.297	0.857	0.001	0.958	0.556	0.893	0.422
Compound_100	FC(C(Cl)(Cl)F)(Cl)Cl	0.94	0.068	0.433	0.615	0.635	0.467	0.883	0.883	0.631	0.999	0.931
Compound_101	CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1	0.053	0.887	0.051	0.615	0.241	0.399	0.07	0.02	0.198	0.239	0.918
Compound_102	CCC1=NC(CC1(c1ccccc1)c1ccccc1)C	0.341	0.57	0.785	0.607	0.203	0.589	0.374	0.717	0.599	0.095	0.764
Compound_103	BrCC=CCBr	0.896	0.099	0.63	0.676	0.256	0.038	0.998	0.993	0.87	1.0	0.954
Compound_104	CCC(=O)C1C(=O)CC(CC1=O)C(=O)O	0.738	0.24	0.042	0.159	0.01	0.037	0.839	0.102	0.288	0.254	0.014
Compound_105	c1ccc(cc1)c1ccc(cc1)c1ccccc1	0.988	0.631	0.952	0.832	0.735	0.865	1.0	0.826	0.95	0.99	0.832
Compound_106	Cc1ccc(cc1)N1N=C(C(C1=O)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC1C(=NN(C1=O)c1ccc(cc1)C)C)C	0.636	0.642	0.994	0.74	0.719	0.706	0.988	0.729	0.414	0.971	0.455
Compound_107	CC=C(C(C(C)(C)C)C)C	0.901	0.098	0.547	0.581	0.216	0.006	0.774	0.97	0.928	0.999	0.938
Compound_108	CN(c1ccc(cc1)N=Nc1ccccc1)C	1.001	0.784	0.983	0.598	0.362	0.94	0.987	0.939	0.95	0.973	0.797
Compound_109	OC(=NCc1ccccc1)CCNNC(=O)c1ccncc1	0.1	0.504	0.226	0.282	0.083	0.729	0.002	0.025	0.413	0.007	0.261
Compound_110	c1ccc(cc1)c1nc(nnc1c1ccccc1)c1ccc(cc1)c1nnc(c(n1)c1ccccc1)c1ccccc1	0.637	0.66	0.991	0.845	0.839	0.827	0.899	0.947	0.981	0.081	0.511
Compound_111	CCCOCCO	0.642	0.128	0.129	0.523	0.075	0.15	0.941	0.395	0.206	0.922	0.613
Compound_112	NNc1nnc(c2c1cccc2)NN	0.096	0.904	0.984	0.612	0.13	0.859	0.155	0.5	0.908	0.354	0.245
Compound_113	OCCN(CC(=O)O)CCO	0.028	0.041	0.033	0.019	0.059	0.006	0.004	0.798	0.606	0.118	0.186
Compound_114	CCCCC[C@@H]1CCC(CC1)c1ccc(cc1)C(=O)C	0.92	0.319	0.184	0.489	0.136	0.645	0.401	0.429	0.543	0.996	0.759
Compound_115	OC(=O)c1cc(ccc1Cl)N(=O)=O	0.846	0.232	0.753	0.503	0.559	0.347	0.92	0.961	0.464	0.988	0.83
Compound_116	Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.82	0.677	0.953	0.715	0.5	0.964	0.995	0.926	0.819	0.817	0.994
Compound_117	CNCC(=O)c1ccc(c(c1)O)O	0.249	0.175	0.056	0.237	0.219	0.138	0.001	0.376	0.156	0.001	0.026
Compound_118	Nc1ccc(cc1)C(=C1C=CC(=N)C(=C1)C)c1ccc(cc1)N	0.87	0.73	0.928	0.675	0.823	0.977	0.998	0.992	0.969	0.98	0.959
Compound_119	CCOCCN=C(c1ccccc1)C(C)C	0.294	0.408	0.89	0.516	0.078	0.24	0.309	0.029	0.309	0.083	0.134
Compound_120	OC(=O)c1cccnc1	0.053	0.191	0.255	0.335	0.018	0.03	0.036	0.065	0.058	0.011	0.116
Compound_121	OC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C	0.057	0.427	0.012	0.168	0.12	0.211	0.002	0.045	0.111	0.004	0.077
Compound_122	OC(=O)CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=CC2=CC(=O)CC[C@]12C	0.958	1.0	0.018	0.371	0.967	0.929	0.048	0.565	0.079	0.951	0.05
Compound_123	CCCCC1(CC)C(=O)NC(=O)NC1=O	0.285	0.413	0.119	0.347	0.055	0.097	0.001	0.137	0.243	0.129	0.172
Compound_124	OCC(CNC(=O)c1c(I)c(C(=O)N(CC(CO)O)C)c(c(c1I)N)I)O	0.034	0.52	0.003	0.276	0.061	0.219	0.002	0.013	0.359	0.007	0.295
Compound_125	CSc1ccc(c(c1C)Cl)C(=O)C	0.791	0.323	0.804	0.683	0.708	0.646	0.963	0.364	0.599	0.992	0.658
Compound_126	COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C)(C)C	0.993	0.068	0.197	0.4	0.761	0.611	0.974	0.977	0.955	0.998	0.865
Compound_127	CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C	0.302	0.71	0.937	0.764	0.712	0.821	0.745	0.993	0.409	0.64	0.399
Compound_128	Oc1ccc2c(c1)N(C(=O)N)c1ccccc1C=C2	0.655	0.509	0.147	0.385	0.924	0.569	0.966	0.023	0.67	0.212	0.27
Compound_129	O=C1CCCCCCCCCCCN1	0.291	0.191	0.044	0.251	0.009	0.071	0.008	0.111	0.404	0.067	0.443
Compound_130	Clc1ccc(cc1)CSC(=Nc1ccc(cc1Cl)Cl)Cn1cncn1	0.446	0.693	0.856	0.851	0.506	0.802	0.748	0.564	0.517	0.63	0.221
Compound_131	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCC(=O)N)CCO)nc(n1)Nc1ccccc1)CCC(=O)N	0.867	0.486	0.004	0.249	0.783	0.682	0.872	0.024	0.417	0.062	0.797
Compound_132	OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O	0.084	0.475	0.624	0.29	0.406	0.132	0.771	0.036	0.386	0.821	0.194
Compound_133	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_134	Clc1ccc2c(c1)[nH]c(=S)o2	0.299	0.42	0.281	0.496	0.147	0.319	0.088	0.08	0.956	0.999	0.696
Compound_135	ClC=CCN12(Cl)CN3CN(C2)CN(C1)C3	0.238	0.434	0.281	0.496	0.736	0.247	0.044	0.08	0.83	0.927	0.5
Compound_136	OCC(OCn1cnc2c1[nH]c(N)nc2=O)CO	0.053	0.52	0.138	0.303	0.125	0.133	0.001	0.065	0.058	0.005	0.368
Compound_137	ClCCCC(C(=O)OCC(C)C)(C)C	0.8	0.045	0.094	0.737	0.386	0.115	0.992	0.992	0.266	0.974	0.867
Compound_138	O=C1NC(=O)CN1Cc1ccccc1	0.063	0.241	0.059	0.286	0.023	0.09	0.008	0.069	0.408	0.016	0.112
Compound_139	Cc1cc(N)c(cc1C)C	0.554	0.222	0.984	0.554	0.101	0.11	0.994	0.749	1.001	0.956	0.41
Compound_140	CC(=O)OC1CC2CC1C1C2C=CC1	0.968	0.47	0.048	0.533	0.874	0.139	0.303	0.828	0.639	1.0	0.539
Compound_141	COc1cc(cc(c1OC)OC)C(c1cnc(nc1N)N)O	0.061	0.532	0.119	0.45	0.191	0.164	0.015	0.058	0.902	0.025	0.835
Compound_142	N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CC	0.952	0.527	0.768	0.673	0.799	0.692	0.994	0.991	0.562	0.922	0.922
Compound_143	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]1(C)CCCCC1)C)CC[C@]1([C@H]3C[C@@H]([C@@H]1OC(=O)C)[N+]1(C)CCCCC1)C	0.403	0.717	0.003	0.57	0.588	0.574	0.031	0.121	0.058	0.383	0.5
Compound_144	CCCC1CCC(CC1)C1CCC(=O)CC1	0.979	0.347	0.154	0.492	0.124	0.064	0.417	0.086	0.548	0.998	0.699
Compound_145	O=C(Cc1ccccc1)OCCc1ccccc1	0.337	0.643	0.516	0.636	0.316	0.54	0.999	0.365	0.669	0.976	0.863
Compound_146	O=CC=O	0.832	0.173	0.407	0.465	0.049	0.71	0.895	0.964	0.713	0.908	0.92
Compound_147	N#CC(=C(c1ccccc1)c1ccccc1)C(=O)OCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N	0.942	0.696	0.354	0.66	0.995	0.941	0.997	0.953	0.606	0.592	0.985
Compound_148	BrCC(=O)c1cc(O)cc(c1)O	0.946	0.252	0.781	0.709	0.862	0.753	0.968	0.996	0.797	0.102	0.782
Compound_149	CC(CCNCCC(C)C)C	0.043	0.146	0.207	0.29	0.015	0.007	0.0	0.038	0.125	0.238	0.151
Compound_150	CCOP(=S)(SC1OCCOC1SP(=S)(OCC)OCC)OCC	0.77	0.448	0.811	0.516	0.477	0.487	0.91	0.403	0.569	0.918	0.574
Compound_151	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O	0.782	0.898	0.946	0.84	0.91	0.573	0.942	0.977	0.499	0.008	0.715
Compound_152	OC(COc1ccc(cc1)C(=O)O)CNC(C)C	0.004	0.368	0.002	0.236	0.186	0.06	0.005	0.001	0.256	0.017	0.001
Compound_153	C1CCC2C(C1)CCCC2	0.993	0.278	0.179	0.492	0.334	0.118	0.885	0.635	0.75	1.0	0.645
Compound_154	FC(C(=O)O)F	0.566	0.031	0.047	0.438	0.195	0.028	0.38	0.998	0.49	0.271	0.845
Compound_155	Clc1ccc(cc1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl	0.989	0.389	0.99	0.788	0.806	0.76	0.991	0.766	0.807	0.995	0.816
Compound_156	O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C	0.061	0.602	0.017	0.056	0.061	0.136	0.042	0.007	0.334	0.029	0.113
Compound_157	CCC1C2CCc3c(C2CCC1(C)C(=O)O)ccc(c3)O	0.932	0.678	0.023	0.254	0.979	0.977	0.265	0.091	0.026	0.997	0.662
Compound_158	CC(=O)OC1(CCC2C1(C)CC1OC31C2CC(C1=CC(=O)C=CC31C)F)C(=O)COC(=O)C	0.957	1.0	0.18	0.973	0.931	0.865	0.09	0.792	0.158	0.884	0.192
Compound_159	CCOP(=S)(SCCS(=O)(=O)CC)OCC	0.748	0.057	0.764	0.538	0.198	0.116	0.839	0.545	0.329	0.998	0.307
Compound_160	O=CC(=O)O	0.429	0.031	0.049	0.207	0.043	0.6	0.691	0.677	0.383	0.056	0.701
Compound_161	CCCCCCC(OC(=O)CC#N)C	0.952	0.065	0.065	0.602	0.328	0.063	0.989	0.841	0.539	0.923	0.873
Compound_162	Nc1cc(Cl)cc(c1)Cl	0.864	0.164	0.946	0.599	0.403	0.195	0.995	0.955	0.891	0.981	0.219
Compound_163	O=Cc1ccc(cc1)Cl	0.928	0.138	0.342	0.607	0.121	0.385	0.999	0.402	0.735	0.997	0.523
Compound_164	COC(=O)Nc1cccc(c1)O	0.783	0.422	0.962	0.719	0.646	0.179	0.73	0.711	0.435	0.02	0.295
Compound_165	Cc1ccccc1O	0.76	0.12	0.828	0.657	0.083	0.059	0.264	0.965	0.628	0.979	0.319
Compound_166	O=c1oc(nc2c1cccc2)c1ccc(cc1)c1nc2ccccc2c(=O)o1	0.462	0.768	0.994	0.905	0.538	0.692	0.97	0.802	0.877	0.338	0.757
Compound_167	O[C@H]1CCC(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C=C[C@@H](C(C)C)C)C)C)C1	0.969	0.91	0.383	0.777	0.835	0.941	0.223	0.992	0.339	0.998	0.939
Compound_168	CCOS(=O)(=O)O	0.681	0.094	0.054	0.22	0.085	0.155	0.692	0.251	0.052	0.62	0.244
Compound_169	ClC1C(Cl)C2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.882	0.667	0.905	0.453	0.986	0.802	0.24	0.999	0.601
Compound_170	CCCCCC	0.949	0.052	0.309	0.578	0.042	0.017	0.995	0.989	0.93	0.999	0.812
Compound_171	C=CCCCC=C(C)C	0.912	0.095	0.579	0.623	0.206	0.009	0.943	0.986	0.372	0.988	0.954
Compound_172	OCCO	0.616	0.077	0.115	0.458	0.061	0.096	0.565	0.68	0.258	0.124	0.646
Compound_173	O=P(Oc1ccccc1C(C)(C)C)(Oc1ccccc1C(C)(C)C)Oc1ccccc1	0.786	0.524	0.914	0.63	0.88	0.246	0.947	0.946	0.758	0.991	0.73
Compound_174	O=C1NN(CC1(C)C)c1ccc(cc1)C(=O)O	0.3	0.431	0.577	0.289	0.135	0.521	0.017	0.422	0.4	0.001	0.138
Compound_175	CCCCC(=O)O	0.344	0.022	0.173	0.119	0.042	0.002	0.945	0.073	0.315	0.043	0.068
Compound_176	OCCc1ccc(cc1)OCC(CNC(C)C)O	0.002	0.273	0.147	0.154	0.074	0.079	0.005	0.01	0.099	0.005	0.002
Compound_177	Clc1ccc(c(c1)O)N(=O)=O	0.952	0.152	0.67	0.646	0.806	0.533	0.987	0.987	0.654	0.986	0.96
Compound_178	CC(=O)C(=O)C	0.897	0.129	0.435	0.504	0.021	0.006	0.992	0.475	0.376	0.841	0.914
Compound_179	FCF	0.908	0.087	0.518	0.607	0.684	0.079	0.706	0.983	0.922	0.999	0.859
Compound_180	COC(=O)Oc1cc(N)c(cc1C(C)(C)C)C(C)(C)C	0.58	0.38	0.922	0.574	0.785	0.852	0.512	0.756	0.832	0.025	0.293
Compound_181	Oc1ccc2c(c1)CCC2	0.81	0.452	0.604	0.61	0.752	0.506	0.936	0.791	0.693	0.956	0.687
Compound_182	FC(c1ccc(cc1)C1OCC(=O)NC1)(F)F	0.079	0.328	0.461	0.279	0.015	0.159	0.101	0.963	0.287	0.02	0.126
Compound_183	COc1cc2c(cc1OC)N1C3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3C(CC1=O)OCC=C4C2	0.789	0.793	0.229	0.182	0.581	0.631	0.366	0.855	0.058	0.022	0.087
Compound_184	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C	0.892	0.285	0.933	0.359	0.5	0.582	0.969	0.879	0.448	0.406	0.32
Compound_185	CCOC(=O)CP(=O)(OCC)OCC	0.81	0.074	0.407	0.649	0.519	0.428	0.91	0.789	0.336	0.972	0.556
Compound_186	OCCCl	0.798	0.11	0.115	0.585	0.037	0.025	0.921	0.885	0.722	0.653	0.901
Compound_187	CCCCNCCO	0.004	0.113	0.011	0.269	0.007	0.003	0.0	0.06	0.264	0.798	0.091
Compound_188	FC(OC(C(Cl)(F)F)(Cl)F)(F)F	0.919	0.082	0.947	0.664	0.309	0.059	0.942	0.974	0.591	0.998	0.988
Compound_189	OC(=O)C1OC(Oc2ccc3c(c2)oc(=O)cc3C)C(C(C1O)O)O	0.56	0.611	0.108	0.545	0.303	0.246	0.831	0.537	0.165	0.304	0.81
Compound_190	Oc1c(C)n(n(c1=O)c1ccccc1)C	0.121	0.339	0.029	0.289	0.1	0.414	0.048	0.027	0.566	0.018	0.089
Compound_191	Brc1cc(Cl)c2c(c1)C(=O)C(=C1Nc3c(C1=O)cc(cc3Br)Br)N2	0.458	0.643	0.915	0.602	0.652	0.652	0.998	0.818	0.464	0.751	0.971
Compound_192	CC(=C)CC1CCCCCCCCCCC1=O	0.973	0.226	0.333	0.536	0.131	0.006	0.981	0.874	0.372	1.0	0.533
Compound_193	COCCOc1cc(ccc1OCCOC)C(=O)OCC	0.126	0.237	0.996	0.678	0.493	0.121	0.709	0.201	0.24	0.712	0.465
Compound_194	CCn1c(=CC(=c2sc(=C3SC(=S)N(C3=O)CC(=O)O)n(c2=O)CC(=O)O)C)sc2c1cccc2	0.719	0.394	0.107	0.479	0.622	0.659	0.964	0.39	0.573	0.294	0.593
Compound_195	C=CC(O)(C)C	0.77	0.051	0.253	0.574	0.238	0.02	0.659	0.967	0.647	0.863	0.836
Compound_196	OC(=O)C(Cl)(Cl)C	0.764	0.021	0.046	0.441	0.115	0.112	0.994	0.956	0.443	0.527	0.909
Compound_197	CC(=C)c1cccc(c1)C(=C)C	0.936	0.546	0.726	0.559	0.043	0.068	0.977	0.908	0.912	0.996	0.725
Compound_198	CC(=C)C(=O)OCC[N+](C)(C)C	0.167	0.124	0.027	0.663	0.3	0.01	0.017	0.429	0.424	0.021	0.357
Compound_199	FC1(F)OCC1(F)F	0.907	0.239	0.91	0.63	0.343	0.232	0.986	0.929	0.433	0.998	0.797
Compound_200	CCCOC(OCCC)OCCC	0.699	0.069	0.31	0.534	0.071	0.06	0.997	0.395	0.621	0.992	0.467
Compound_201	CC(OC(=O)c1ccc(c(c1)NN=C1C(=O)C(=Cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1Cl)NC(=O)C1=Cc2ccccc2C(=NNc2cc(ccc2C)C(=O)OC(C)C)C1=O)C)C	0.728	0.666	0.997	0.585	0.863	0.713	0.981	0.842	0.414	0.997	0.648
Compound_202	Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl	0.903	0.753	0.74	0.768	0.979	0.994	0.958	0.857	0.598	0.829	0.964
Compound_203	O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)O)C	0.463	0.328	0.917	0.292	0.388	0.507	0.29	0.078	0.4	0.008	0.238
Compound_204	CC(c1cc(ccc1OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.588	0.514	0.727	0.586	0.91	0.698	0.479	0.854	0.904	0.991	0.723
Compound_205	COC(=O)C1C2C=CC(N1C(c1ccccc1)C)C2	0.257	0.567	0.473	0.343	0.069	0.036	0.547	0.923	0.297	0.058	0.136
Compound_206	C[C@@H]1O[C@H](C)C[NH2+]C1	0.012	0.169	0.474	0.402	0.007	0.001	0.002	0.575	0.212	0.083	0.147
Compound_207	COc1ccc2c(c1)ccc(c2)CCC(=O)C	0.4	0.864	0.677	0.763	0.35	0.898	0.87	0.933	0.95	0.605	0.672
Compound_208	Oc1ccc(cc1)C(c1ccccc1S(=O)(=O)Oc1ccccc1)c1ccc(cc1)O	0.601	0.563	0.427	0.723	0.969	0.877	0.26	0.131	0.385	0.915	0.134
Compound_209	Fc1cc(F)c(c(c1F)C(=O)O)F	0.719	0.084	0.465	0.508	0.173	0.066	0.983	0.946	0.373	0.74	0.166
Compound_210	N#CC=C(CCC=C(C)C)C	0.871	0.117	0.517	0.513	0.334	0.017	0.946	0.931	0.914	0.888	0.93
Compound_211	Clc1ccc(cc1)C(=O)c1ccccc1Cl	0.835	0.465	0.709	0.67	0.735	0.872	0.925	0.754	0.57	0.999	0.993
Compound_212	CC(=O)Nc1ccccc1	0.758	0.323	0.779	0.571	0.065	0.098	0.944	0.487	0.796	0.914	0.39
Compound_213	CC(=C)C1CC=C(C(=O)C1)C	0.933	0.367	0.549	0.639	0.113	0.047	0.447	0.991	0.715	0.997	0.874
Compound_214	O=C(c1ccccn1)Nc1c(C)cccc1C	0.434	0.766	0.456	0.525	0.035	0.154	0.003	0.198	0.719	0.151	0.528
Compound_215	COCCN(c1ccc(c(c1)NC(=O)C)N=Nc1snc2c1cc(cc2)N(=O)=O)CCOC	0.647	0.73	0.947	0.617	0.541	0.739	0.87	0.204	0.661	0.951	0.453
Compound_216	Cc1ccc(cc1)C(=O)OCC1OC(CC1OC(=O)c1ccc(cc1)C)n1cc(C)c(=O)[nH]c1=O	0.581	0.561	0.461	0.351	0.131	0.468	0.551	0.018	0.426	0.647	0.912
Compound_217	C=CCOC1CC2CC1C1C2CC=C1	0.99	0.443	0.062	0.451	0.866	0.268	0.451	0.522	0.293	0.999	0.877
Compound_218	N#CC=Cc1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N	0.834	0.693	0.778	0.651	0.69	0.589	0.88	0.636	0.827	0.047	0.664
Compound_219	COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OC(C)C)C	0.927	0.756	0.876	0.483	0.784	0.098	0.175	0.831	0.936	0.054	0.907
Compound_220	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@]2(Br)[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.934	1.0	0.037	0.982	0.683	0.676	0.012	0.112	0.119	0.741	0.3
Compound_221	CCCCCCCCOC(=O)[C@H](Oc1ccc(cc1C)Cl)C	0.326	0.334	0.871	0.759	0.115	0.125	0.299	0.932	0.528	0.995	0.63
Compound_222	COB(OC)OC	0.891	0.055	0.32	0.51	0.654	0.739	0.959	0.796	0.885	0.992	0.716
Compound_223	ClC1CC(C(C1Cl)Cl)Cl	0.949	0.286	0.515	0.611	0.752	0.652	0.994	0.955	0.674	0.998	0.53
Compound_224	CN(CCOCCOC(=O)NCC1(C)CC(NC(=O)OCCOCCN(C)C)CC(C1)(C)C)C	0.06	0.29	0.006	0.173	0.101	0.517	0.155	0.031	0.372	0.003	0.28
Compound_225	CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2C(CC(=O)O1)C1CCC3C(C1C2)CC(C3)OC1CC(C)C(C(C1OC)OC)OC	0.492	0.754	0.002	0.222	0.314	0.526	0.025	0.183	0.387	0.215	0.667
Compound_226	CCCCCC#CC(=O)OC	0.817	0.101	0.485	0.582	0.108	0.827	0.998	0.984	0.746	0.911	0.648
Compound_227	CCOC(=O)C(OC(=O)C)(CC(=O)OCC)CC(=O)OCC	0.793	0.012	0.195	0.639	0.104	0.089	0.974	0.78	0.445	0.952	0.925
Compound_228	ONC(C)C	0.263	0.107	0.323	0.518	0.043	0.088	0.001	0.654	0.061	0.925	0.235
Compound_229	O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	0.976	0.445	0.13	0.482	0.27	0.16	0.056	0.136	0.302	0.946	0.707
Compound_230	O=C1OCCCCCCCCCCCCC=C1	0.997	0.174	0.239	0.725	0.803	0.573	0.999	0.992	0.925	0.998	0.828
Compound_231	Cc1ccc(cc1)C(O)C	0.269	0.13	0.223	0.359	0.06	0.107	0.717	0.033	0.511	0.469	0.16
Compound_232	NC[C@@H](c1ccc(cc1)O)O	0.042	0.11	0.009	0.168	0.083	0.185	0.002	0.006	0.241	0.0	0.045
Compound_233	c1ccc(cc1)c1ccc(cc1)C(n1ccnc1)c1ccccc1	0.952	0.556	0.96	0.818	0.713	0.964	0.939	0.33	0.625	0.826	0.736
Compound_234	OC(=N)C1(CCN(CC1)CCCN1c2ccccc2CCc2c1cccc2)N1CCCCC1	0.071	0.603	0.341	0.18	0.603	0.692	0.014	0.005	0.248	0.038	0.326
Compound_235	CC(OC(=O)c1cccc(n1)Cl)C	0.377	0.228	0.611	0.521	0.511	0.156	0.962	0.945	0.791	0.214	0.126
Compound_236	O=C1OC(C(N1)Cc1ccccc1)COS(=O)(=O)c1ccc(cc1)N(=O)=O	0.597	0.478	0.651	0.442	0.528	0.564	0.87	0.544	0.338	0.033	0.557
Compound_237	N#Cc1c(N)nc(nc1N)NC1CC1	0.195	0.477	0.254	0.45	0.266	0.384	0.0	0.077	0.959	0.118	0.591
Compound_238	CCC(C(=O)O)(C)C	0.442	0.009	0.076	0.17	0.067	0.004	0.905	0.258	0.452	0.171	0.372
Compound_239	NNC(C(=O)O)(Cc1ccc(c(c1)OC)OC)C	0.081	0.177	0.203	0.307	0.079	0.637	0.334	0.044	0.313	0.006	0.13
Compound_240	N#Cc1ccc(cc1N(=O)=O)C(F)(F)F	0.982	0.506	0.843	0.737	0.781	0.233	1.0	0.998	0.49	0.823	0.952
Compound_241	CCCCC(C(=O)OOC(CC)(C)C)CC	0.908	0.036	0.025	0.543	0.069	0.03	0.787	0.773	0.457	0.99	0.766
Compound_242	ClC=C(CSC(=O)N(C(C)C)C(C)C)Cl	0.264	0.053	0.077	0.715	0.605	0.098	0.479	0.993	0.139	0.998	0.893
Compound_243	C=CCc1ccc(c(c1)OC)O	0.855	0.313	0.839	0.723	0.484	0.075	0.966	0.986	0.17	0.908	0.257
Compound_244	Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1	0.067	0.691	0.877	0.897	0.932	0.849	0.544	0.897	0.455	0.997	0.758
Compound_245	C=Cc1ccc(c(c1)C=C)O	0.881	0.347	0.796	0.705	0.243	0.862	0.552	0.998	0.784	0.978	0.529
Compound_246	Clc1cccc(c1)c1ccccc1	0.98	0.471	0.949	0.805	0.513	0.43	0.994	0.077	0.735	0.988	0.656
Compound_247	CCCOC(=O)c1c(C(=O)OCCC)c(Cl)c(c(c1Cl)Cl)Cl	0.848	0.138	0.88	0.633	0.738	0.628	0.98	0.556	0.435	0.954	0.33
Compound_248	OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.835	0.064	0.388	0.599	0.296	0.026	0.929	0.08	0.276	0.916	0.96
Compound_249	Nc1nc2[nH]cc(c2c(=O)[nH]1)CCc1ccc(cc1)C(=O)O	0.343	0.567	0.112	0.399	0.301	0.741	0.007	0.349	0.111	0.004	0.285
Compound_250	CC(C(c1ccccc1)O)NCCn1cnc2c1c(=O)n(C)c(=O)n2C	0.237	0.595	0.001	0.078	0.087	0.38	0.006	0.012	0.026	0.044	0.172
Compound_251	Brc1ccc2c(c1)[nH]c(n2)C1C2CCC(N1C(=O)OC(C)(C)C)C2	0.231	0.602	0.771	0.53	0.612	0.652	0.051	0.893	0.397	0.475	0.315
Compound_252	CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	0.709	0.0	0.145	0.746	0.488	0.228	0.998	0.894	0.473	0.997	0.942
Compound_253	ICC#N	0.933	0.292	0.273	0.649	0.181	0.31	0.483	0.999	0.752	0.971	0.861
Compound_254	C1COC=CC1	0.721	0.121	0.178	0.569	0.192	0.098	0.999	0.757	0.818	0.943	0.656
Compound_255	COC(=O)COc1ccc(cc1Cl)Cl	0.296	0.144	0.843	0.774	0.133	0.111	0.75	0.899	0.483	0.902	0.41
Compound_256	CCCCOCC(O)C	0.665	0.117	0.033	0.564	0.082	0.098	0.695	0.257	0.373	0.942	0.705
Compound_257	SCC(C(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_258	O=C1NC(=O)CC2(C1)CCCC2	0.141	0.33	0.087	0.288	0.021	0.451	0.005	0.243	0.701	0.188	0.244
Compound_259	CCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_260	Clc1ccc(cc1)CNC1CCCC1	0.092	0.258	0.233	0.343	0.077	0.618	0.012	0.179	0.414	0.098	0.034
Compound_261	N#CC(c1ccc(c(c1)OC)OC)(C(C)C)CCCNCCc1ccc(c(c1)OC)OS(=O)(=O)O	0.083	0.633	0.011	0.331	0.219	0.643	0.033	0.234	0.298	0.165	0.484
Compound_262	CCC(Nc1ccc(cc1)NC(CC(CC)C)CC)CC(CC)C	0.646	0.216	0.879	0.349	0.101	0.855	0.245	0.821	0.843	0.913	0.292
Compound_263	COP(=O)(Oc1ccc(c(c1)C)S(=O)C)OC	0.693	0.484	0.966	0.657	0.07	0.264	0.848	0.253	0.407	0.974	0.491
Compound_264	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F	0.846	0.561	0.978	0.872	0.945	0.853	0.982	0.873	0.433	0.844	0.954
Compound_265	CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.053	0.44	0.25	0.563	0.616	0.783	0.052	0.143	0.643	0.997	0.941
Compound_266	CCCCC(COC(=O)c1c(C(=O)OCC(CCCC)CC)c(Cl)c(c(c1Cl)Cl)Cl)CC	0.953	0.165	0.604	0.594	0.768	0.669	0.94	0.396	0.473	0.998	0.52
Compound_267	ON=C1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C	0.067	0.632	0.009	0.171	0.424	0.494	0.004	0.189	0.333	0.408	0.268
Compound_268	COc1ccc(cc1N)S(=O)(=O)O	0.383	0.263	0.979	0.337	0.351	0.572	0.434	0.038	0.386	0.041	0.454
Compound_269	CCCCCCCCCC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]3C(=O)N[C@@H]([C@@H](c4ccc(O2)c(Cl)c4)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)C(=O)N[C@H](c2c(c4cc3ccc4O)c(cc(c2)O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)C(=O)O)c2cc(O)cc(c2)Oc2cc([C@H](C(=O)N1)N)ccc2O	0.714	0.719	0.123	0.546	0.808	0.679	0.169	0.599	0.405	0.483	0.332
Compound_270	Clc1cnc(c(c1Cl)Cl)C(Cl)(Cl)Cl	0.311	0.324	0.574	0.59	0.282	0.687	0.236	0.899	0.439	0.983	0.32
Compound_271	CCCCCCCCCCCC[N+](Cc1ccc(cc1)CC)(C)C	0.364	0.619	0.069	0.667	0.016	0.837	0.433	0.754	0.941	0.023	0.085
Compound_272	CCCC(C(Cc1ccc(cc1)OP(=S)(Oc1ccc(cc1)CC(C(C(CCC)C)CCC)C)S)C)C(CCC)C	0.842	0.524	0.319	0.416	0.883	0.62	0.921	0.015	0.698	0.999	0.753
Compound_273	OC(=O)CN(CP(=O)(O)O)CC(=O)O	0.073	0.085	0.001	0.029	0.211	0.02	0.002	0.078	0.625	0.004	0.223
Compound_274	NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.408	0.319	0.058	0.387	0.668	0.651	0.44	0.654	0.613	0.13	0.514
Compound_275	CCOC(=O)C(C(=O)C)Cl	0.848	0.095	0.896	0.706	0.18	0.076	0.999	0.983	0.463	0.461	0.935
Compound_276	Ic1cc(I)c2c(c1O)nccc2	0.672	0.608	0.818	0.274	0.483	0.633	0.067	0.561	0.498	0.996	0.928
Compound_277	CCNC1C2CCC(C1c1ccccc1)C2	0.038	0.422	0.058	0.186	0.113	0.154	0.001	0.234	0.232	0.967	0.265
Compound_278	ClC(=O)C1CCCO1	0.866	0.191	0.087	0.615	0.009	0.144	0.997	0.997	0.448	0.958	0.964
Compound_279	O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2N	0.172	0.519	0.054	0.204	0.042	0.098	0.029	0.023	0.344	0.055	0.328
Compound_280	CCCCCCCCCCCCCCCCOC(=O)c1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)N1C(=O)OC(C1=O)(C)C)Cl	0.559	0.758	0.48	0.652	0.44	0.577	0.074	0.289	0.402	0.992	0.356
Compound_281	Cc1ccccc1C(c1cccc(c1O)O)c1ccccc1C	0.795	0.559	0.708	0.632	0.976	0.329	0.808	0.97	0.442	0.983	0.803
Compound_282	O=C(OC(C)(C)C)NC(C(=O)O)C(C)C	0.009	0.091	0.006	0.167	0.096	0.014	0.005	0.376	0.291	0.025	0.262
Compound_283	CCOP(=O)(Oc1ccc(cc1)N(=O)=O)OCC	0.99	0.716	0.989	0.71	0.905	0.098	0.993	0.517	0.117	0.268	0.68
Compound_284	COc1cc2[nH]c(=O)c(=O)[nH]c2cc1N(=O)=O	0.579	0.668	0.217	0.439	0.627	0.71	0.737	0.735	0.659	0.379	0.539
Compound_285	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC[C@@H](OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.723	0.283	0.07	0.758	0.478	0.092	0.703	0.918	0.079	0.43	0.453
Compound_286	OC(=O)CCCC(=O)O	0.225	0.01	0.153	0.118	0.052	0.017	0.178	0.115	0.333	0.003	0.061
Compound_287	O=N(=O)c1ccc(cc1)CCc1ccc(cc1)N(=O)=O	0.936	0.639	0.768	0.571	0.689	0.861	0.999	0.971	0.521	0.999	0.904
Compound_288	O=NN(c1c(C)n(n(c1=O)c1ccccc1)C)C	0.087	0.38	0.076	0.318	0.29	0.331	0.019	0.022	0.667	0.352	0.36
Compound_289	Clc1ccc(c(c1O)C(=O)O)Cl	0.373	0.21	0.14	0.379	0.812	0.507	0.249	0.196	0.473	0.902	0.306
Compound_290	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1C)Cl	0.821	0.501	0.753	0.682	0.829	0.828	0.613	0.588	0.825	0.978	0.962
Compound_291	CC(C(=O)c1ccccc1)C	0.886	0.127	0.597	0.534	0.032	0.154	0.783	0.106	0.162	0.956	0.402
Compound_292	ClCBr	0.915	0.074	0.518	0.607	0.636	0.154	0.974	0.983	0.93	0.999	0.916
Compound_293	c1ccc(cc1)CC1=NCCN1	0.015	0.326	0.036	0.138	0.001	0.079	0.001	0.007	0.338	0.004	0.027
Compound_294	CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCN=C(N)N	0.706	0.578	0.161	0.374	0.634	0.655	0.873	0.414	0.289	0.453	0.472
Compound_295	CCc1cccc(c1N)C	0.465	0.263	0.92	0.45	0.079	0.098	0.973	0.716	0.822	0.783	0.284
Compound_296	CC(=O)OCCC(OC(=O)C)C	0.829	0.006	0.156	0.637	0.079	0.034	0.962	0.138	0.768	0.052	0.84
Compound_297	COC(=O)[C@H](C(C)C)NC(=O)Oc1ccccc1	0.099	0.358	0.773	0.5	0.12	0.069	0.035	0.897	0.364	0.042	0.057
Compound_298	CNNCc1ccc(cc1)C(=O)NC(C)C	0.053	0.213	0.633	0.309	0.02	0.874	0.009	0.156	0.283	0.025	0.143
Compound_299	CC#CCC([C@@H](C=CC1[C@H](O)C[C@H]2[C@@H]1CC(=CCCCC(=O)O)C2)O)C	0.974	0.614	0.023	0.196	0.805	0.789	0.56	0.417	0.329	0.97	0.095
Compound_300	CCCCCCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428