Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)CCCOc1ccc(cc1Cl)Cl	0.333	0.229	0.754	0.737	0.294	0.274	0.852	0.105	0.519	0.253	0.089
Compound_2	CCCCOC(=O)COc1ccc(cc1Cl)Cl	0.331	0.13	0.766	0.8	0.133	0.111	0.75	0.955	0.476	0.999	0.632
Compound_3	OC(=O)COc1ccc(cc1Cl)Cl	0.331	0.113	0.335	0.565	0.128	0.095	0.83	0.17	0.495	0.903	0.337
Compound_4	CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC	0.505	0.253	0.654	0.771	0.192	0.183	0.852	0.936	0.511	0.999	0.616
Compound_5	OC(=O)COc1ccc(cc1C)Cl	0.074	0.172	0.486	0.448	0.082	0.072	0.123	0.063	0.263	0.884	0.16
Compound_6	OC(=O)COc1ccc(cc1C)Cl	0.074	0.172	0.486	0.448	0.082	0.072	0.123	0.063	0.263	0.884	0.16
Compound_7	[O-]C(=O)COc1ccc(cc1C)Cl	0.156	0.186	0.721	0.539	0.069	0.079	0.1	0.794	0.511	0.94	0.685
Compound_8	CCCCC(COC(=O)COc1ccc(cc1C)Cl)CC	0.261	0.275	0.789	0.723	0.117	0.144	0.351	0.932	0.554	0.998	0.593
Compound_9	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_10	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C	0.869	0.612	0.788	0.665	0.981	0.617	0.589	0.778	0.25	0.202	0.462
Compound_11	ClCC[N+](C)(C)C	0.4	0.495	0.13	0.61	0.138	0.03	0.199	0.976	0.331	0.029	0.301
Compound_12	CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C	0.156	0.255	0.076	0.319	0.078	0.391	0.003	0.012	0.379	0.023	0.51
Compound_13	CCCCCC(=O)OCCN(CC)CC	0.038	0.169	0.058	0.175	0.037	0.01	0.014	0.121	0.036	0.748	0.385
Compound_14	C[n+]1ccc(cc1)c1cc[n+](cc1)C	0.441	0.714	0.805	0.663	0.009	0.769	0.005	0.975	0.695	0.228	0.686
Compound_15	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.925	0.165	0.605	0.63	0.905	0.599	0.994	0.957	0.95	0.994	0.918
Compound_16	Nc1nc(c(s1)C(=O)Nc1ccccc1)C	0.543	0.703	0.978	0.754	0.07	0.652	0.241	0.784	0.667	0.018	0.166
Compound_17	CSc1ccc(cc1C)OP(=S)(OC)OC	0.695	0.445	0.947	0.746	0.093	0.242	0.95	0.038	0.488	0.995	0.679
Compound_18	CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)C	0.928	0.678	0.828	0.691	0.927	0.992	0.904	0.952	0.78	0.923	0.624
Compound_19	COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C	0.406	0.378	0.101	0.198	0.105	0.61	0.019	0.03	0.372	0.22	0.425
Compound_20	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	0.276	0.663	0.866	0.6	0.307	0.767	0.006	0.547	0.544	0.084	0.724
Compound_21	CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl	0.811	0.891	0.896	0.938	0.571	0.764	0.013	0.711	0.384	0.548	0.71
Compound_22	Clc1cc(F)c(cc1C(=O)NS(=O)(=O)N(C(C)C)C)n1c(=O)cc(n(c1=O)C)C(F)(F)F	0.784	0.587	0.01	0.561	0.75	0.875	0.69	0.936	0.408	0.402	0.528
Compound_23	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C)C	0.895	0.419	0.833	0.772	0.896	0.2	0.93	0.886	0.387	0.877	0.669
Compound_24	O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2	0.817	0.735	0.973	0.562	0.346	0.846	0.986	0.536	0.485	0.569	0.584
Compound_25	O=C(c1ccccc1C(=O)O)Nc1ccccc1	0.677	0.729	0.733	0.667	0.366	0.687	0.898	0.18	0.527	0.129	0.5
Compound_26	Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C	0.631	0.493	0.055	0.499	0.5	0.659	0.034	0.061	0.395	0.418	0.425
Compound_27	CCn1ncc(c1OC(=O)c1cn(nc1C)C)C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.692	0.52	0.748	0.662	0.724	0.65	0.983	0.872	0.402	0.936	0.404
Compound_28	CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1	0.559	0.582	0.491	0.65	0.616	0.658	0.057	0.952	0.539	0.168	0.535
Compound_29	OC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C	0.531	0.554	0.304	0.662	0.728	0.102	0.885	0.281	0.444	0.281	0.664
Compound_30	O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl	0.214	0.444	0.652	0.458	0.079	0.519	0.003	0.049	0.09	0.132	0.443
Compound_31	Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F	0.71	0.312	0.936	0.775	0.76	0.098	0.987	0.961	0.365	0.611	0.791
Compound_32	CCOC(=O)c1cnn(c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C	0.407	0.378	0.953	0.203	0.304	0.567	0.013	0.146	0.299	0.485	0.458
Compound_33	CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C	0.456	0.738	0.146	0.571	0.544	0.615	0.948	0.957	0.717	0.581	0.613
Compound_34	CC1=NNC(=O)N(C1)/N=C/c1cccnc1	0.183	0.458	0.811	0.383	0.06	0.268	0.001	0.009	0.411	0.005	0.152
Compound_35	ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.523	0.68	0.619	0.683	0.734	0.387	0.95	0.814	0.603	0.048	0.406
Compound_36	COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC	0.56	0.637	0.406	0.572	0.733	0.651	0.881	0.334	0.401	0.789	0.918
Compound_37	CCN(C(=O)c1cccc(c1)C)CC	0.158	0.394	0.366	0.536	0.0	0.322	0.014	0.12	0.422	0.508	0.063
Compound_38	c1ccc(cc1)CNc1ncnc2c1[nH]cn2	0.324	0.677	0.908	0.37	0.396	0.898	0.008	0.098	0.599	0.072	0.583
Compound_39	CCCN(C(=O)SCc1ccccc1)CCC	0.176	0.288	0.339	0.566	0.042	0.125	0.17	0.926	0.193	0.98	0.202
Compound_40	O=C(NC(c1ccccc1)(C)C)NCc1ccccc1Cl	0.284	0.427	0.822	0.364	0.208	0.73	0.754	0.166	0.377	0.034	0.353
Compound_41	COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC	0.577	0.558	0.929	0.31	0.259	0.731	0.541	0.141	0.348	0.652	0.537
Compound_42	CCCOCCN(c1c(CC)cccc1CC)C(=O)CCl	0.89	0.747	0.681	0.703	0.945	0.134	0.999	0.985	0.551	0.847	0.637
Compound_43	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.941	0.962	0.829	0.943	0.289	0.823	0.059	0.964	0.419	0.822	0.589
Compound_44	CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C	0.952	0.67	0.73	0.673	0.226	0.098	0.977	0.968	0.16	0.615	0.635
Compound_45	Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O	0.334	0.638	0.288	0.537	0.096	0.663	0.167	0.543	0.411	0.715	0.511
Compound_46	CCCc1ccc2n(n1)c(c(n2)Cl)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC	0.606	0.448	0.082	0.235	0.598	0.636	0.403	0.732	0.382	0.828	0.468
Compound_47	C#CCOc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C	0.708	0.67	0.354	0.643	0.423	0.85	0.848	0.592	0.415	0.755	0.603
Compound_48	C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.765	0.673	0.909	0.703	0.227	0.655	0.981	0.987	0.427	0.472	0.268
Compound_49	[S-]C(=S)NCC(NC(=S)[S-])C	0.03	0.082	0.542	0.413	0.172	0.224	0.001	0.715	0.655	0.899	0.812
Compound_50	CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC	0.952	0.585	0.985	0.716	0.665	0.618	0.974	0.851	0.483	0.994	0.77
Compound_51	CNC(=O)Oc1ccccc1OC(C)C	0.266	0.418	0.487	0.323	0.164	0.056	0.03	0.975	0.531	0.035	0.047
Compound_52	OC(=O)C(CCP(=O)(O)C)N	0.008	0.079	0.003	0.122	0.565	0.244	0.001	0.002	0.038	0.0	0.125
Compound_53	OC(=O)CNCP(=O)(O)O	0.04	0.1	0.003	0.134	0.243	0.014	0.0	0.004	0.071	0.005	0.179
Compound_54	OC(=O)CNCP(=O)(O)O	0.04	0.1	0.003	0.134	0.243	0.014	0.0	0.004	0.071	0.005	0.179
Compound_55	OC(=O)CNCP(=O)(O)O	0.04	0.1	0.003	0.134	0.243	0.014	0.0	0.004	0.071	0.005	0.179
Compound_56	CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N	0.814	0.561	0.95	0.794	0.597	0.898	0.968	0.944	0.372	0.97	0.918
Compound_57	CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.778	0.637	0.372	0.282	0.06	0.903	0.683	0.943	0.501	0.525	0.566
Compound_58	C=C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.775	0.646	0.572	0.632	0.903	0.301	0.795	0.997	0.454	0.999	0.973
Compound_59	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)OC(C(F)F)(F)F	0.854	0.592	0.994	0.847	0.923	0.867	0.983	0.881	0.419	0.83	0.963
Compound_60	N[C@H]1C[C@H](N=C(C(=O)O)N)[C@H](O[C@@H]1OC1[C@H](O)[C@@H](O)C([C@@H]([C@@H]1O)O)O)C	0.083	0.647	0.022	0.263	0.132	0.192	0.002	0.209	0.132	0.114	0.028
Compound_61	O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C	0.423	0.856	0.18	0.713	0.905	0.898	0.992	0.069	0.555	0.346	0.375
Compound_62	CCOP(=S)(Oc1ccc(=O)n(n1)c1ccccc1)OCC	0.441	0.501	0.952	0.484	0.786	0.51	0.864	0.207	0.781	0.084	0.372
Compound_63	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_64	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_65	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_66	O=C(NS(=O)(=O)c1ccccc1C(=O)O)Nc1nccc(n1)C	0.152	0.334	0.122	0.234	0.315	0.693	0.003	0.015	0.362	0.005	0.284
Compound_67	CCOC(=O)C(c1ccccc1)SP(=S)(OC)OC	0.421	0.299	0.952	0.641	0.246	0.08	0.989	0.299	0.606	0.959	0.512
Compound_68	CC(OC(=O)C(=C1SCCS1)C(=O)OC(C)C)C	0.742	0.475	0.146	0.545	0.672	0.505	0.993	0.508	0.866	0.995	0.954
Compound_69	N#CC(C(C)C)(NC(=O)C(Oc1ccc(cc1Cl)Cl)C)C	0.156	0.438	0.541	0.535	0.171	0.373	0.294	0.767	0.434	0.811	0.257
Compound_70	COP(=O)(C(C(Cl)(Cl)Cl)O)OC	0.865	0.178	0.041	0.626	0.319	0.773	0.768	0.844	0.315	0.103	0.752
Compound_71	CCC(=O)Nc1ccc(c(c1)Cl)Cl	0.941	0.396	0.973	0.747	0.225	0.753	0.999	0.701	0.454	0.92	0.41
Compound_72	CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC	0.098	0.897	0.766	0.709	0.031	0.143	0.172	0.874	0.298	0.454	0.152
Compound_73	c1cc[n+]2c(c1)c1cccc[n+]1CC2	0.415	0.596	0.684	0.567	0.269	0.746	0.205	0.988	0.9	0.369	0.814
Compound_74	c1cc[n+]2c(c1)c1cccc[n+]1CC2	0.415	0.596	0.684	0.567	0.269	0.746	0.205	0.988	0.9	0.369	0.814
Compound_75	O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl	0.97	0.329	0.977	0.779	0.348	0.618	0.914	0.299	0.528	0.656	0.087
Compound_76	COP(=O)(OC=C(Cl)Cl)OC	0.941	0.401	0.765	0.687	0.147	0.172	0.971	0.999	0.058	0.974	0.743
Compound_77	CN(c1ccc(cc1)N=NS(=O)(=O)[O-])C	0.921	0.348	0.925	0.475	0.209	0.833	0.989	0.981	0.565	0.746	0.375
Compound_78	CCOP(=O)(Sc1ccccc1)Sc1ccccc1	0.642	0.615	0.975	0.661	0.445	0.312	0.999	0.304	0.546	0.988	0.82
Compound_79	CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl	0.952	0.874	0.5	0.73	0.92	0.225	1.0	0.992	0.562	0.87	0.715
Compound_80	N#Cc1nn(c(c1S(=O)C(F)(F)F)NCC(=C)C)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.355	0.587	0.551	0.544	0.711	0.65	0.874	0.764	0.682	0.267	0.664
Compound_81	CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC	0.952	0.616	0.254	0.623	0.176	0.223	0.993	0.927	0.485	0.267	0.481
Compound_82	S=C(NC(C)(C)C)Nc1c(cc(cc1C(C)C)Oc1ccccc1)C(C)C	0.43	0.573	0.63	0.304	0.426	0.938	0.777	0.089	0.358	0.946	0.81
Compound_83	CCCCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccccc1/C(=C\OC)/C(=O)OC	0.754	0.708	0.799	0.669	0.952	0.666	0.998	0.859	0.858	0.63	0.974
Compound_84	N#CN=C(N(Cc1ccc(nc1)Cl)C)C	0.1	0.345	0.078	0.561	0.031	0.282	0.026	0.126	0.493	0.029	0.099
Compound_85	COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.462	0.412	0.071	0.443	0.423	0.616	0.403	0.948	0.303	0.864	0.683
Compound_86	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.283	0.312	0.152	0.337	0.192	0.61	0.465	0.933	0.294	0.04	0.46
Compound_87	Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl	0.636	0.779	0.992	0.769	0.093	0.435	0.938	0.087	0.601	0.691	0.543
Compound_88	CO/C=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_89	ClCC(=O)N(c1ccccc1)C(C)C	0.952	0.349	0.547	0.633	0.905	0.111	0.976	0.976	0.475	0.662	0.918
Compound_90	CCOP(=O)(C(c1ccccc1F)Nc1sc2c(n1)c(C)ccc2)OCC	0.805	0.648	0.993	0.62	0.576	0.711	0.36	0.936	0.542	0.966	0.531
Compound_91	CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC	0.89	0.516	0.994	0.722	0.375	0.162	0.997	0.959	0.644	0.884	0.412
Compound_92	COC(=O)Nc1nc2c([nH]1)cccc2	0.217	0.526	0.907	0.463	0.365	0.765	0.118	0.428	0.554	0.311	0.864
Compound_93	OCc1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N	0.457	0.308	0.001	0.306	0.228	0.191	0.003	0.086	0.232	0.071	0.725
Compound_94	CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)[C@@H](C)C(=O)C2=C[C@@H]3[C@H]([C@@H]2CC(=O)O1)C=C[C@H]1[C@H]3C[C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC)OC)OC	0.645	0.87	0.011	0.255	0.473	0.499	0.105	0.698	0.327	0.353	0.525
Compound_95	O[C@H](C(C)(C)C)[C@H](n1ncnc1)Cc1ccc(cc1)Cl	0.743	0.702	0.829	0.819	0.035	0.829	0.049	0.33	0.409	0.12	0.567
Compound_96	O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C	0.738	0.739	0.912	0.708	0.459	0.121	0.259	0.856	0.386	0.407	0.535
Compound_97	CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C	0.587	0.61	0.283	0.622	0.43	0.898	0.918	0.613	0.42	0.884	0.362
Compound_98	Cc1cc(=O)[nH]o1	0.589	0.45	0.314	0.391	0.084	0.038	0.078	0.005	0.68	0.902	0.649
Compound_99	Clc1cc(Cl)cc(c1)C(N1COC(=C(C1=O)c1ccccc1)C)(C)C	0.267	0.719	0.097	0.516	0.385	0.941	0.984	0.629	0.591	0.966	0.786
Compound_100	COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O	0.517	0.569	0.303	0.694	0.029	0.173	0.514	0.087	0.432	0.491	0.254
Compound_101	O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1	0.427	0.722	0.765	0.755	0.905	0.898	0.968	0.98	0.397	0.051	0.553
Compound_102	Clc1ccc2c(c1)oc(n2)Oc1ccc(cc1)OC(C(=O)N(c1ccccc1F)C)C	0.584	0.657	0.964	0.628	0.894	0.643	0.977	0.966	0.463	0.805	0.696
Compound_103	CCC(Nc1c(cc(c(c1N(=O)=O)C)C)N(=O)=O)CC	0.748	0.331	0.932	0.446	0.652	0.069	0.009	0.377	0.612	0.98	0.822
Compound_104	Clc1ccc(c(n1)C(=O)O)Cl	0.293	0.228	0.458	0.403	0.491	0.274	0.903	0.313	0.741	0.573	0.247
Compound_105	O=C1CCCC(=O)C1C(=O)c1c(Cl)ccc2c1ncc(c2)Cl	0.609	0.633	0.761	0.56	0.368	0.376	0.559	0.96	0.591	0.606	0.971
Compound_106	Clc1cnc2c(c1)ccc(c2C(=O)O)Cl	0.38	0.252	0.955	0.423	0.548	0.098	0.25	0.813	0.852	0.488	0.874
Compound_107	CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC	0.592	0.471	0.921	0.573	0.509	0.308	0.054	0.043	0.058	0.883	0.295
Compound_108	CCC1C(C)C2[NH+]3C1Cc1c(C)c(c4n1[Fe]13(Cl)[NH+]3C(Cc5n1c(C2)c(C=C)c5C)C(C(C3C4CC(=O)[O-])CCC(=O)[O-])C)C(=O)[O-]	0.675	0.599	0.158	0.429	0.708	0.652	0.206	0.822	0.102	0.977	0.623
Compound_109	Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O	0.498	0.746	0.893	0.886	0.135	0.642	0.828	0.133	0.613	0.03	0.597
Compound_110	FC(Oc1n(C)nc(c1CS(=O)(=O)C1=NOC(C1)(C)C)C(F)(F)F)F	0.516	0.578	0.013	0.592	0.578	0.546	0.406	0.953	0.428	0.817	0.491
Compound_111	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC	0.359	0.412	0.172	0.248	0.299	0.644	0.069	0.247	0.363	0.575	0.349
Compound_112	CN/C(=N\N(=O)=O)/NCC1COCC1	0.058	0.272	0.034	0.391	0.023	0.244	0.001	0.165	0.234	0.13	0.391
Compound_113	O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC1CCCO1)S(=O)(=O)C	0.792	0.643	0.045	0.608	0.686	0.648	0.297	0.25	0.404	0.866	0.389
Compound_114	CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC	0.53	0.619	0.996	0.553	0.661	0.339	0.521	0.92	0.474	0.98	0.778
Compound_115	O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F	0.686	0.638	0.811	0.608	0.679	0.644	0.764	0.973	0.404	0.981	0.586
Compound_116	COCC(=O)OC(c1ncccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(F)C	0.576	0.498	0.313	0.362	0.193	0.565	0.603	0.966	0.389	0.274	0.517
Compound_117	COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.952	0.475	0.858	0.811	0.345	0.212	0.863	0.909	0.534	0.111	0.7
Compound_118	Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F	0.46	0.475	0.587	0.518	0.381	0.677	0.042	0.96	0.614	0.115	0.69
Compound_119	Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F	0.287	0.39	0.382	0.371	0.515	0.56	0.133	0.969	0.504	0.128	0.355
Compound_120	Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F	0.829	0.516	0.98	0.835	0.949	0.705	0.934	0.992	0.408	0.552	0.776
Compound_121	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F	0.938	0.541	0.766	0.781	0.976	0.429	0.948	0.241	0.397	0.429	0.607
Compound_122	N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.31	0.358	0.498	0.573	0.728	0.645	0.593	0.964	0.748	0.215	0.727
Compound_123	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F	0.95	0.592	0.965	0.736	0.976	0.898	0.986	0.975	0.467	0.83	0.963
Compound_124	Clc1cc(cnc1Nc1c(cc(c(c1N(=O)=O)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F	0.781	0.645	0.947	0.813	0.757	0.538	0.983	0.971	0.525	0.931	0.918
Compound_125	Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1	0.551	0.49	0.364	0.737	0.458	0.563	0.874	0.554	0.393	0.011	0.642
Compound_126	N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C	0.479	0.319	0.21	0.6	0.134	0.392	0.238	0.978	0.199	0.176	0.717
Compound_127	N#CCNC(=O)c1cnccc1C(F)(F)F	0.121	0.476	0.152	0.271	0.06	0.057	0.032	0.606	0.501	0.003	0.756
Compound_128	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F	0.856	0.47	0.979	0.821	0.876	0.898	0.995	0.983	0.479	0.401	0.95
Compound_129	Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C	0.626	0.801	0.809	0.884	0.26	0.898	0.902	0.398	0.8	0.012	0.369
Compound_130	Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl	0.599	0.852	0.836	0.888	0.5	0.794	0.305	0.234	0.439	0.081	0.856
Compound_131	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.848	0.699	0.77	0.628	0.888	0.824	0.974	0.99	0.414	0.982	0.809
Compound_132	CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1	0.395	0.778	0.946	0.894	0.524	0.658	0.784	0.97	0.486	0.652	0.644
Compound_133	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCC	0.884	0.339	0.114	0.704	0.852	0.098	0.977	0.986	0.665	0.237	0.821
Compound_134	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_135	COc1c(F)c(F)c(c(c1F)F)C(=O)NCc1ncc(cc1Cl)C(F)(F)F	0.435	0.418	0.594	0.518	0.468	0.557	0.167	0.933	0.419	0.035	0.647
Compound_136	CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1	0.697	0.681	0.967	0.667	0.754	0.679	0.977	0.974	0.533	0.438	0.658
Compound_137	Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C	0.952	0.646	0.586	0.594	0.451	0.571	0.982	0.978	0.347	0.039	0.557
Compound_138	O=c1oc2ccccc2c(c1C1CC(Cc2c1cccc2)c1ccc(cc1)OCc1ccc(cc1)C(F)(F)F)O	0.631	0.699	0.556	0.567	0.996	0.972	0.991	0.647	0.251	0.297	0.858
Compound_139	COc1nc(OC)nc(n1)C(=O)c1cccc(c1N(S(=O)(=O)C(F)F)C)F	0.613	0.549	0.333	0.555	0.408	0.575	0.74	0.973	0.402	0.783	0.626
Compound_140	CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.716	0.336	0.973	0.829	0.85	0.098	0.991	0.885	0.31	0.158	0.731
Compound_141	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_142	Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F	0.601	0.649	0.276	0.677	0.614	0.483	0.879	0.962	0.443	0.403	0.408
Compound_143	COc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F	0.257	0.388	0.163	0.647	0.342	0.394	0.048	0.199	0.358	0.032	0.441
Compound_144	CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C	0.514	0.668	0.497	0.586	0.436	0.333	0.749	0.921	0.648	0.541	0.251
Compound_145	Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F	0.685	0.675	0.983	0.796	0.721	0.306	0.981	0.921	0.697	0.394	0.407
Compound_146	CN(C(=S)SSC(=S)N(C)C)C	0.567	0.114	0.068	0.478	0.341	0.898	0.189	0.859	0.96	1.0	0.649
Compound_147	CN(C(=S)[S-])C	0.433	0.103	0.272	0.568	0.113	0.898	0.306	0.972	0.964	0.999	0.821
Compound_148	OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.91	0.28	0.334	0.722	0.314	0.181	0.848	0.895	0.444	0.458	0.69
Compound_149	N#C[C@@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_150	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_151	N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F	0.469	0.61	0.915	0.646	0.632	0.664	0.211	0.285	0.688	0.675	0.918
Compound_152	OC[C@]1(OC(=C)[C@H]([C@H]1O)O)n1cnc2c1ncnc2N	0.592	0.657	0.106	0.405	0.142	0.223	0.009	0.935	0.397	0.033	0.863
Compound_153	C=CCNC(=O)c1c(C)c(sc1[Si](C)(C)C)C	0.386	0.47	0.573	0.529	0.032	0.548	0.018	0.992	0.478	0.316	0.331
Compound_154	CC(=O)OO	0.763	0.098	0.4	0.517	0.067	0.04	0.672	0.861	0.873	0.934	0.5
Compound_155	CCN(C(=O)SCc1ccc(cc1)Cl)CC	0.247	0.331	0.472	0.629	0.233	0.356	0.53	0.899	0.151	0.997	0.23
Compound_156	CCSC(=O)N1CCCCCC1	0.252	0.274	0.38	0.641	0.233	0.278	0.083	0.685	0.308	0.995	0.416
Compound_157	OC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.726	0.455	0.273	0.558	0.264	0.285	0.771	0.132	0.333	0.94	0.712
Compound_158	O=C1CCCCN1c1c(Cl)c(ccc1C(F)(F)F)C(=O)c1c([nH]n(c1=O)C)C1CC1	0.679	0.596	0.019	0.55	0.627	0.686	0.927	0.927	0.406	0.003	0.178
Compound_159	CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1	0.753	0.786	0.641	0.888	0.09	0.742	0.215	0.342	0.399	0.027	0.682
Compound_160	Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2	0.465	0.676	0.426	0.298	0.209	0.95	0.759	0.872	0.443	0.285	0.509
Compound_161	O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.85	0.636	0.15	0.616	0.692	0.655	0.675	0.647	0.403	0.878	0.386
Compound_162	O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C	0.434	0.484	0.048	0.321	0.079	0.857	0.002	0.109	0.431	0.138	0.183
Compound_163	CC(=C1OC(=O)N(C1=O)c1cc(OC2CCCC2)c(cc1F)Cl)C	0.708	0.666	0.458	0.627	0.639	0.548	0.991	0.905	0.45	0.966	0.33
Compound_164	O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O	0.952	0.868	0.933	0.652	0.905	0.763	0.568	0.971	0.436	0.808	0.764
Compound_165	Clc1ccc(cn1)CN1CCN2C1=C(N(=O)=O)[C@@H]1O[C@H]2CC1	0.575	0.622	0.024	0.169	0.385	0.473	0.003	0.262	0.071	0.571	0.485
Compound_166	COc1cc(OC)nc(n1)Sc1cccc2c1C(=O)OC2C	0.738	0.659	0.976	0.631	0.516	0.647	0.92	0.362	0.377	0.552	0.748
Compound_167	O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C	0.866	0.551	0.444	0.591	0.661	0.633	0.944	0.725	0.4	0.9	0.289
Compound_168	CNC(=O)Oc1cc(C)c(c(c1)C)C	0.334	0.424	0.591	0.418	0.12	0.158	0.036	0.944	0.721	0.096	0.089
Compound_169	CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O	0.832	0.924	0.767	0.861	0.221	0.841	0.045	0.772	0.464	0.444	0.594
Compound_170	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.87	0.94	0.044	0.47	0.905	0.898	0.067	0.995	0.929	0.474	0.146
Compound_171	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.87	0.94	0.044	0.47	0.905	0.898	0.067	0.995	0.929	0.474	0.146
Compound_172	CCSCSP(=S)(OCC)OCC	0.712	0.029	0.868	0.52	0.405	0.244	0.975	0.226	0.202	0.999	0.815
Compound_173	COCN(c1c(CC)cccc1CC)C(=O)CCl	0.878	0.878	0.848	0.75	0.905	0.133	0.998	0.993	0.588	0.525	0.734
Compound_174	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.371	0.358	0.22	0.2	0.122	0.629	0.034	0.02	0.366	0.177	0.381
Compound_175	COc1nc(nc(n1)C)NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC	0.437	0.408	0.821	0.454	0.245	0.638	0.034	0.025	0.417	0.664	0.539
Compound_176	COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC	0.891	0.457	0.982	0.748	0.236	0.106	0.997	0.94	0.911	0.776	0.576
Compound_177	COC(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)CNS(=O)(=O)C	0.373	0.448	0.644	0.207	0.331	0.75	0.173	0.028	0.399	0.275	0.311
Compound_178	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.822	0.226	0.418	0.578	0.093	0.098	0.985	0.19	0.401	0.541	0.56
Compound_179	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	0.93	0.56	0.985	0.747	0.709	0.259	0.983	0.53	0.861	0.997	0.745
Compound_180	COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC	0.664	0.438	0.835	0.519	0.374	0.862	0.208	0.835	0.727	0.627	0.61
Compound_181	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.432	0.559	0.881	0.682	0.374	0.241	0.003	0.631	0.154	0.926	0.412
Compound_182	COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C	0.557	0.526	0.956	0.601	0.28	0.167	0.043	0.024	0.501	0.511	0.312
Compound_183	Cc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.287	0.162	0.019	0.25	0.006	0.097	0.001	0.076	0.426	0.018	0.097
Compound_184	CNC(=O)Oc1cccc2c1cccc2	0.483	0.8	0.889	0.349	0.176	0.098	0.427	0.996	0.738	0.474	0.263
Compound_185	C[N+]1(C)CCCCC1	0.362	0.22	0.054	0.611	0.007	0.066	0.008	0.04	0.586	0.002	0.065
Compound_186	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.822	0.519	0.565	0.629	0.896	0.2	0.93	0.822	0.366	0.319	0.386
Compound_187	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.566	0.294	0.598	0.616	0.037	0.022	0.344	0.139	0.334	0.026	0.159
Compound_188	O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C	0.404	0.398	0.536	0.467	0.425	0.743	0.045	0.285	0.345	0.267	0.436
Compound_189	COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.242	0.642	0.631	0.322	0.109	0.902	0.661	0.569	0.489	0.146	0.372
Compound_190	COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.388	0.295	0.016	0.297	0.011	0.152	0.002	0.181	0.419	0.057	0.257
Compound_191	N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl	0.577	0.649	0.895	0.925	0.344	0.898	0.348	0.403	0.527	0.147	0.715
Compound_192	N#C/C(=C(\c1n(C)nc(c1C)C)/OC(=O)C(C)(C)C)/c1ccc(cc1)C(C)(C)C	0.732	0.583	0.129	0.484	0.72	0.499	0.844	0.979	0.511	0.6	0.807
Compound_193	CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N	0.836	0.76	0.684	0.924	0.152	0.829	0.223	0.834	0.579	0.593	0.71
Compound_194	CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C	0.952	0.671	0.248	0.876	0.288	0.199	0.937	0.912	0.397	0.012	0.642
Compound_195	OC(=O)[C@H](CCP(=O)(O)C)N	0.008	0.079	0.003	0.122	0.565	0.244	0.001	0.002	0.038	0.0	0.125
Compound_196	OC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.279	0.482	0.796	0.477	0.899	0.633	0.967	0.54	0.174	0.623	0.585
Compound_197	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_198	COCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)OC)C	0.566	0.294	0.598	0.616	0.037	0.022	0.344	0.139	0.334	0.026	0.159
Compound_199	CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.703	0.678	0.941	0.765	0.425	0.098	0.259	0.869	0.26	0.248	0.814
Compound_200	COC[C@H](N(c1c(C)cccc1CC)C(=O)CCl)C	0.952	0.789	0.561	0.785	0.917	0.098	0.993	0.991	0.511	0.315	0.759
Compound_201	OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.27	0.654	0.003	0.382	0.383	0.433	0.012	0.264	0.416	0.687	0.07
Compound_202	O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl	0.938	0.489	0.745	0.645	0.693	0.23	0.998	0.769	0.683	0.236	0.53
Compound_203	CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C	0.551	0.381	0.068	0.458	0.12	0.305	0.004	0.394	0.454	0.339	0.166
Compound_204	CNC(=O)Oc1cccc2c1OC(C2)(C)C	0.67	0.433	0.072	0.395	0.208	0.043	0.049	0.97	0.511	0.052	0.128
Compound_205	ClCc1cccc(c1NC(=O)C)C(C)(C)C	0.456	0.443	0.613	0.566	0.392	0.327	0.933	0.989	0.918	0.582	0.728
Compound_206	ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl	0.488	0.813	0.259	0.67	0.745	0.898	0.817	0.993	0.315	0.998	0.918
Compound_207	NCCCC1NC(=O)C(CCCCNC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(CC)C)Cc1ccccc1)CC1N=CN=C1)CC(=O)O)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CSC(=N1)C(C(CC)C)N)CC(C)C)CCC(=O)O	0.21	0.529	0.012	0.114	0.4	0.65	0.014	0.133	0.406	0.166	0.087
Compound_208	Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C	0.818	0.692	0.673	0.75	0.465	0.115	0.328	0.88	0.321	0.978	0.759
Compound_209	CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.703	0.678	0.941	0.765	0.425	0.098	0.259	0.869	0.26	0.248	0.814
Compound_210	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	0.576	0.581	0.986	0.544	0.161	0.155	0.01	0.647	0.318	0.765	0.576
Compound_211	CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C	0.242	0.698	0.939	0.552	0.772	0.829	0.772	0.588	0.764	0.958	0.398
Compound_212	CNC(=O)CSP(=S)(OC)OC	0.098	0.059	0.456	0.364	0.052	0.022	0.006	0.376	0.43	0.353	0.469
Compound_213	COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1	0.494	0.778	0.952	0.577	0.45	0.697	0.96	0.96	0.475	0.895	0.284
Compound_214	O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1	0.857	0.451	0.773	0.804	0.901	0.399	0.976	0.922	0.367	0.983	0.911
Compound_215	OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1	0.399	0.623	0.363	0.712	0.201	0.743	0.191	0.146	0.558	0.445	0.383
Compound_216	CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C	0.288	0.13	0.51	0.533	0.303	0.15	0.052	0.916	0.486	0.962	0.918
Compound_217	CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C	0.952	0.769	0.316	0.319	0.067	0.56	0.811	0.101	0.416	0.538	0.579
Compound_218	CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC	0.138	0.514	0.03	0.197	0.26	0.458	0.016	0.152	0.354	0.795	0.231
Compound_219	CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C	0.935	0.762	0.097	0.808	0.972	0.875	0.979	0.987	0.452	0.765	0.935
Compound_220	O=C(N(C)C)Nc1ccc(c(c1)Cl)C	0.887	0.336	0.577	0.677	0.719	0.765	0.892	0.164	0.678	0.527	0.103
Compound_221	CC(OC(=O)Nc1cccc(c1)Cl)C	0.901	0.452	0.972	0.82	0.614	0.294	0.988	0.779	0.496	0.518	0.223
Compound_222	COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl	0.481	0.368	0.889	0.267	0.368	0.618	0.062	0.225	0.394	0.9	0.524
Compound_223	O=C(Nc1ccnc(c1)Cl)Nc1ccccc1	0.519	0.744	0.973	0.701	0.67	0.566	0.106	0.946	0.677	0.549	0.453
Compound_224	CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C	0.628	0.652	0.847	0.573	0.639	0.673	0.634	0.416	0.686	0.355	0.271
Compound_225	CON(c1ccccc1COc1nc(Cl)c(cc1Cl)Cl)C(=O)OC	0.668	0.674	0.731	0.69	0.547	0.611	0.832	0.951	0.627	0.289	0.885
Compound_226	COc1c(Cl)ccc(c1F)c1nc(C(=O)OCc2ccccc2)c(c(c1F)N)Cl	0.625	0.65	0.966	0.842	0.876	0.574	0.981	0.911	0.624	0.41	0.684
Compound_227	OC(=O)COc1nc(F)c(c(c1Cl)N)Cl	0.344	0.381	0.558	0.307	0.215	0.15	0.801	0.046	0.305	0.066	0.341
Compound_228	CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C	0.592	0.516	0.429	0.669	0.33	0.194	0.96	0.88	0.563	0.764	0.206
Compound_229	Clc1ccc(cc1)Oc1ccc(c(c1)C(F)(F)F)C(Cn1cncn1)(O)C	0.534	0.703	0.564	0.86	0.478	0.759	0.606	0.391	0.272	0.146	0.776
Compound_230	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_231	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.784	0.425	0.864	0.721	0.929	0.359	0.95	0.559	0.288	0.983	0.577
Compound_232	CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)OC	0.354	0.388	0.575	0.225	0.438	0.746	0.419	0.186	0.235	0.326	0.419
Compound_233	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_234	Clc1ncc(s1)CN1CCN=C1NN(=O)=O	0.275	0.428	0.888	0.483	0.13	0.645	0.007	0.071	0.422	0.318	0.484
Compound_235	Cln1c(=O)[nH]c(=O)n(c1=O)Br	0.314	0.29	0.149	0.425	0.445	0.105	0.323	0.01	0.878	0.421	0.627
Compound_236	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC	0.715	0.355	0.05	0.426	0.579	0.566	0.634	0.063	0.342	0.324	0.457
Compound_237	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	0.626	0.038	0.842	0.698	0.3	0.133	0.99	0.957	0.46	0.999	0.757
Compound_238	COc1c(Cl)ccc(c1C(=O)O)Cl	0.243	0.178	0.333	0.389	0.763	0.526	0.166	0.027	0.472	0.64	0.245
Compound_239	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.122	0.909	0.653	0.791	0.386	0.898	0.025	0.876	0.52	0.811	0.678
Compound_240	CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C	0.456	0.48	0.236	0.474	0.209	0.468	0.351	0.794	0.337	0.144	0.318
Compound_241	CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.378	0.145	0.01	0.32	0.006	0.098	0.001	0.139	0.341	0.02	0.104
Compound_242	COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(n1)OC	0.163	0.609	0.28	0.277	0.306	0.39	0.021	0.42	0.412	0.144	0.362
Compound_243	CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C	0.664	0.578	0.918	0.754	0.982	0.984	0.603	0.911	0.249	0.945	0.707
Compound_244	CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC	0.346	0.74	0.722	0.594	0.568	0.578	0.996	0.897	0.267	0.767	0.867
Compound_245	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C	0.399	0.518	0.964	0.46	0.32	0.768	0.058	0.607	0.349	0.336	0.645
Compound_246	CO/N=C(/c1cccc(c1C(=O)OC)Oc1nc(OC)cc(n1)OC)\C	0.49	0.651	0.9	0.578	0.464	0.579	0.6	0.05	0.317	0.187	0.523
Compound_247	CCOP(=S)(Oc1cc(C)nc(n1)N(CC)CC)OCC	0.478	0.605	0.942	0.591	0.397	0.256	0.003	0.491	0.096	0.966	0.398
Compound_248	COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)ON=C(c1ccccc1)c1ccccc1)Oc1nc(OC)cc(n1)OC	0.513	0.653	0.96	0.634	0.911	0.778	0.988	0.374	0.494	0.251	0.522
Compound_249	Cc1nc(Nc2ccccc2)nc(c1)C1CC1	0.818	0.815	0.82	0.649	0.589	0.898	0.055	0.973	0.27	0.726	0.713
Compound_250	CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC	0.716	0.863	0.952	0.665	0.724	0.898	0.963	0.97	0.835	0.084	0.754
Compound_251	Cc1cc(C)nc(n1)Nc1ccccc1	0.909	0.782	0.976	0.651	0.482	0.832	0.139	0.99	0.231	0.335	0.365
Compound_252	CC(N1C(=O)c2ccccc2NS1(=O)=O)C	0.281	0.502	0.391	0.495	0.04	0.25	0.003	0.189	0.287	0.028	0.205
Compound_253	OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C	0.608	0.889	0.97	0.833	0.093	0.904	0.79	0.852	0.408	0.096	0.438
Compound_254	Nc1nc(NC2CC2)nc(n1)N	0.171	0.378	0.542	0.409	0.044	0.098	0.0	0.069	0.721	0.266	0.334
Compound_255	O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(cc1)Cl	0.949	0.643	0.968	0.858	0.8	0.919	0.989	0.867	0.469	0.943	0.928
Compound_256	CNCC(=O)N[C@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)n1ccc(nc1=O)N)C(=O)N)CO	0.669	0.36	0.019	0.355	0.26	0.207	0.009	0.011	0.257	0.013	0.691
Compound_257	O=C(N1CCCCC1)SC(c1ccccc1)(C)C	0.294	0.389	0.314	0.51	0.021	0.101	0.003	0.902	0.335	0.081	0.062
Compound_258	CCCOC1CC(C)C(=C2N1CCN2Cc1ccc(nc1)Cl)N(=O)=O	0.515	0.559	0.117	0.338	0.368	0.627	0.01	0.66	0.137	0.546	0.583
Compound_259	CSc1nc(NC(C)C)nc(n1)NC(C)C	0.882	0.149	0.734	0.435	0.057	0.098	0.0	0.008	0.518	0.599	0.514
Compound_260	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)nc(c1C1=NOCC(O1)C)Cl	0.587	0.559	0.443	0.307	0.41	0.636	0.342	0.616	0.362	0.519	0.56
Compound_261	COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(cc1Cl)F	0.455	0.5	0.278	0.659	0.625	0.651	0.652	0.942	0.42	0.047	0.277
Compound_262	CSc1nnc(c(=O)n1N)C(C)(C)C	0.281	0.502	0.383	0.452	0.227	0.227	0.094	0.079	0.436	0.049	0.22
Compound_263	CCNc1nc(nc(n1)Cl)NC(C#N)(C)C	0.318	0.284	0.561	0.462	0.068	0.105	0.0	0.18	0.511	0.399	0.201
Compound_264	CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C	0.952	0.574	0.673	0.803	0.849	0.519	0.984	0.959	0.478	0.243	0.674
Compound_265	N#Cc1ccc(cc1)C/C(=N\NC(=O)Nc1ccc(cc1)OC(F)(F)F)/c1cccc(c1)C(F)(F)F	0.68	0.676	0.998	0.736	0.956	0.711	0.949	0.894	0.407	0.044	0.74
Compound_266	N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl	0.534	0.212	0.931	0.816	0.704	0.898	0.481	0.775	0.36	0.988	0.918
Compound_267	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C	0.869	0.612	0.788	0.665	0.981	0.617	0.589	0.778	0.25	0.202	0.462
Compound_268	CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	0.684	0.459	0.336	0.663	0.548	0.264	0.711	0.293	0.5	0.167	0.841
Compound_269	C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.719	0.656	0.438	0.538	0.825	0.511	0.866	0.993	0.43	0.998	0.803
Compound_270	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.952	0.5	0.841	0.738	0.31	0.413	0.502	0.972	0.413	0.407	0.621
Compound_271	OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.886	0.389	0.321	0.582	0.265	0.142	0.213	0.447	0.481	0.384	0.5
Compound_272	C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.802	0.616	0.478	0.652	0.649	0.902	0.959	0.972	0.533	0.922	0.433
Compound_273	CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C	0.952	0.797	0.991	0.81	0.921	0.725	0.993	0.942	0.362	0.822	0.932
Compound_274	O=C(Nc1cnns1)Nc1ccccc1	0.628	0.465	0.965	0.676	0.267	0.898	0.02	0.589	0.794	0.311	0.346
Compound_275	CN/C(=N\N(=O)=O)/NCc1cnc(s1)Cl	0.276	0.362	0.62	0.479	0.104	0.56	0.003	0.182	0.337	0.086	0.52
Compound_276	N#CN=C1SCCN1Cc1ccc(nc1)Cl	0.129	0.495	0.329	0.54	0.072	0.413	0.195	0.388	0.332	0.187	0.222
Compound_277	CN1COCN(/C/1=N/N(=O)=O)Cc1cnc(s1)Cl	0.342	0.5	0.398	0.434	0.099	0.624	0.25	0.166	0.426	0.279	0.5
Compound_278	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC	0.405	0.358	0.036	0.224	0.158	0.724	0.063	0.012	0.449	0.181	0.362
Compound_279	Cc1sc(c(n1)C(F)(F)F)C(=O)Nc1c(Br)cc(cc1Br)OC(F)(F)F	0.652	0.642	0.792	0.74	0.699	0.635	0.572	0.859	0.511	0.589	0.737
Compound_280	c1scc(n1)c1nc2c([nH]1)cccc2	0.449	0.77	0.894	0.487	0.424	0.712	0.291	0.121	0.613	0.705	0.588
Compound_281	[S-]c1nnc(s1)N	0.375	0.314	0.782	0.502	0.5	0.26	0.079	0.086	0.563	0.402	0.433
Compound_282	C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl	0.214	0.355	0.403	0.485	0.558	0.593	0.98	0.92	0.276	0.436	0.095
Compound_283	O=c1[nH]sc2c1cccc2	0.132	0.725	0.888	0.474	0.014	0.264	0.902	0.286	0.774	0.985	0.699
Compound_284	CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C	0.42	0.789	0.071	0.577	0.124	0.756	0.107	0.056	0.375	0.342	0.174
Compound_285	COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C	0.388	0.352	0.34	0.304	0.115	0.595	0.014	0.014	0.407	0.12	0.235
Compound_286	[S-]c1nnc(s1)N	0.375	0.314	0.782	0.502	0.5	0.26	0.079	0.086	0.563	0.402	0.433
Compound_287	O=c1c(c2cccc(c2)C(F)(F)F)c([O-])[n+](c2n1cccc2)Cc1cncnc1	0.478	0.518	0.404	0.766	0.22	0.52	0.171	0.412	0.301	0.019	0.595
Compound_288	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)N(=O)=O)C(F)(F)F	0.952	0.791	0.509	0.634	0.963	0.778	0.991	0.995	0.47	0.914	0.973
Compound_289	Cc1cccc2c1n1cnnc1s2	0.468	0.673	0.888	0.557	0.428	0.769	0.934	0.966	0.852	0.725	0.204
Compound_290	CCO/N=C(/C1=C(O)CC(CC1=O)c1c(C)cc(cc1C)C)\CC	0.641	0.707	0.106	0.494	0.13	0.847	0.809	0.077	0.48	0.057	0.936
Compound_291	OC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.367	0.137	0.541	0.482	0.093	0.072	0.976	0.133	0.32	0.178	0.217
Compound_292	O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl	0.425	0.29	0.581	0.519	0.495	0.098	0.148	0.091	0.808	0.269	0.618
Compound_293	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.348	0.545	0.877	0.844	0.07	0.637	0.031	0.025	0.34	0.492	0.459
Compound_294	Cc1cc(n(n1)Cc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)c1c(C)nn(c1OC(=O)c1cn(nc1C)C)C)C	0.626	0.534	0.837	0.631	0.724	0.652	0.994	0.953	0.42	0.93	0.296
Compound_295	CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC	0.386	0.523	0.908	0.458	0.224	0.463	0.107	0.093	0.471	0.069	0.62
Compound_296	O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.557	0.577	0.894	0.898	0.049	0.655	0.046	0.016	0.195	0.558	0.45
Compound_297	C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1	0.602	0.411	0.09	0.622	0.726	0.946	0.892	0.241	0.734	0.327	0.646
Compound_298	CN(C(CSS(=O)(=O)O)CSS(=O)(=O)[O-])C	0.139	0.236	0.005	0.133	0.419	0.522	0.228	0.795	0.067	0.728	0.508
Compound_299	CN(C1CSSSC1)C	0.306	0.355	0.056	0.179	0.053	0.166	0.064	0.878	0.316	0.63	0.556
Compound_300	CN(C(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-])C	0.176	0.277	0.01	0.124	0.296	0.589	0.302	0.874	0.093	0.918	0.515
Compound_301	O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F	0.821	0.592	0.975	0.777	0.946	0.928	0.898	0.695	0.492	0.83	0.963
Compound_302	Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)N(=O)=O)O	0.945	0.71	0.993	0.837	0.665	0.898	0.754	0.988	0.46	0.999	0.918
Compound_303	CN(C(CSC(=O)N)CSC(=O)N)C	0.026	0.094	0.003	0.103	0.104	0.05	0.008	0.02	0.09	0.339	0.481
Compound_304	COP(=O)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.964	0.593	0.968	0.795	0.864	0.09	0.993	0.919	0.464	0.568	0.813
Compound_305	COP(=S)(SCC(=O)N(c1ccc(cc1)Cl)C(C)C)OC	0.698	0.495	0.715	0.637	0.649	0.566	0.962	0.166	0.371	0.281	0.648
Compound_306	OC(=O)c1cccc2c1nc1ccccc1n2	0.253	0.601	0.548	0.398	0.72	0.394	0.959	0.26	0.421	0.109	0.929
Compound_307	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.79	0.592	0.982	0.754	0.859	0.708	0.981	0.803	0.422	0.83	0.963
Compound_308	O=C([C@@H](NC(=O)[C@H](CCP(=O)(O)C)N)C)N[C@H](C(=O)[O-])C	0.026	0.079	0.0	0.217	0.634	0.259	0.0	0.014	0.249	0.023	0.187
Compound_309	O=C(C1CC1)OC[C@]1(C)[C@H](CC[C@]2([C@H]1C[C@H](O)[C@@]1([C@@H]2[C@@H](O)c2c(O1)cc(oc2=O)c1cccnc1)C)C)OC(=O)C1CC1	0.675	0.93	0.001	0.545	0.744	0.665	0.4	0.553	0.297	0.485	0.565
Compound_310	COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC	0.631	0.662	0.947	0.442	0.683	0.612	0.913	0.753	0.386	0.092	0.629
Compound_311	COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F	0.681	0.218	0.038	0.348	0.419	0.098	0.166	0.146	0.408	0.139	0.464
Compound_312	O=C1C2CCC(C2)C(=C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C)Sc1ccccc1	0.695	0.666	0.574	0.691	0.763	0.707	0.82	0.831	0.407	0.938	0.581
Compound_313	CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C	0.371	0.714	0.793	0.613	0.317	0.846	0.98	0.072	0.745	0.96	0.087
Compound_314	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1Cl	0.749	0.292	0.087	0.369	0.587	0.499	0.623	0.103	0.149	0.14	0.478
Compound_315	C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C	0.153	0.499	0.522	0.396	0.063	0.636	0.127	0.156	0.235	0.058	0.179
Compound_316	CCNC(=O)[C@H](OC(=O)Nc1ccccc1)C	0.191	0.375	0.894	0.6	0.044	0.068	0.014	0.617	0.258	0.055	0.192
Compound_317	C#CCN(c1c(C#N)cnn1c1nn2c(c1Cl)CCCC2)C	0.505	0.736	0.492	0.424	0.406	0.649	0.097	0.776	0.752	0.024	0.46
Compound_318	Cn1nc(c(c1)C(=O)Oc1n(C)nc(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C)C	0.608	0.486	0.8	0.643	0.683	0.626	0.979	0.979	0.404	0.706	0.446
Compound_319	CCCOC(=O)NCCCN(C)C	0.058	0.138	0.004	0.121	0.028	0.052	0.002	0.043	0.377	0.014	0.251
Compound_320	CCCOC(=O)NCCCN(C)C	0.058	0.138	0.004	0.121	0.028	0.052	0.002	0.043	0.377	0.014	0.251
Compound_321	CCNC(=O)NC(=O)/C(=N/OC)/C#N	0.075	0.159	0.281	0.329	0.146	0.116	0.0	0.221	0.445	0.059	0.477
Compound_322	COP(=S)(Oc1ccccc1C(=O)OC(C)C)N	0.652	0.428	0.921	0.395	0.404	0.151	0.8	0.005	0.743	0.064	0.342
Compound_323	Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F	0.6	0.801	0.866	0.924	0.491	0.898	0.751	0.637	0.95	0.284	0.858
Compound_324	CC1OC(C)OC(OC(O1)C)C	0.704	0.07	0.6	0.624	0.052	0.075	0.904	0.974	0.696	0.981	0.427
Compound_325	CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncc(cc1Cl)Cl)Br)Cl	0.627	0.632	0.899	0.625	0.657	0.671	0.554	0.959	0.502	0.374	0.335
Compound_326	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	0.724	0.675	0.958	0.79	0.519	0.898	0.613	0.622	0.976	0.055	0.193
Compound_327	CCC1/C=C/C=C/C=C/C=C/C(CC2OC(CC(CC(C/C=C/C(=O)OC1C)O)O)(O)CC(C2C(=O)O)O)OC1OC(C)C(C(C1O)N)O	0.077	0.684	0.007	0.153	0.635	0.766	0.011	0.908	0.296	0.718	0.817
Compound_328	N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Cn1nnc(n1)C(F)(F)F	0.655	0.602	0.712	0.568	0.647	0.646	0.985	0.793	0.698	0.098	0.63
Compound_329	CNC(=O)Oc1cccc(c1)C	0.362	0.343	0.618	0.458	0.084	0.034	0.007	0.968	0.48	0.025	0.031
Compound_330	CCNc1nc(Cl)nc(n1)NC(C)(C)C	0.346	0.274	0.716	0.395	0.025	0.075	0.0	0.11	0.495	0.541	0.072
Compound_331	CNC(=O)O/N=C/C(SC)(C)C	0.149	0.09	0.004	0.293	0.064	0.027	0.001	0.131	0.441	0.311	0.745
Compound_332	CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1	0.532	0.783	0.985	0.795	0.669	0.898	0.67	0.836	0.234	0.052	0.603
Compound_333	O=C(C1=C(C)OCCS1)Nc1ccccc1	0.433	0.693	0.951	0.679	0.588	0.898	0.915	0.369	0.548	0.786	0.354
Compound_334	CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC	0.271	0.863	0.778	0.685	0.624	0.535	0.935	0.991	0.228	0.315	0.918
Compound_335	COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC	0.5	0.403	0.072	0.389	0.595	0.632	0.813	0.743	0.106	0.087	0.648
Compound_336	Clc1c(Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl	0.969	0.122	0.883	0.617	0.113	0.473	0.999	0.995	0.758	0.999	0.936
Compound_337	CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1	0.755	0.836	0.643	0.877	0.169	0.898	0.1	0.922	0.511	0.146	0.263
Compound_338	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.83	0.731	0.681	0.855	0.057	0.857	0.741	0.456	0.474	0.07	0.382
Compound_339	CCNc1nc(NCC)nc(n1)SC	0.894	0.12	0.734	0.4	0.039	0.046	0.001	0.023	0.699	0.862	0.471
Compound_340	CCNc1nc(NCC)nc(n1)Cl	0.361	0.224	0.703	0.452	0.02	0.022	0.0	0.086	0.783	0.115	0.069
Compound_341	C=CCOC1=NS(=O)(=O)c2c1cccc2	0.529	0.406	0.904	0.666	0.059	0.519	0.887	0.949	0.091	0.219	0.284
Compound_342	Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC	0.623	0.6	0.236	0.572	0.942	0.76	0.989	0.908	0.368	0.687	0.905
Compound_343	CCN(/C(=C/N(=O)=O)/NC)Cc1ccc(nc1)Cl	0.119	0.49	0.013	0.148	0.127	0.276	0.004	0.021	0.066	0.184	0.699
Compound_344	CCSC(CC1CC(=C(C(=O)C1)/C(=N/OCC)/CCC)O)C	0.604	0.546	0.083	0.515	0.611	0.571	0.94	0.829	0.327	0.635	0.843
Compound_345	CO/N=C(\c1ccccc1CO/N=C(/C=C/c1c(Cl)cccc1Cl)\C)/C(=O)NC	0.195	0.694	0.807	0.483	0.475	0.579	0.684	0.117	0.279	0.935	0.688
Compound_346	CO/C=C(\c1ccccc1CO/N=C(/C=C/c1ccc(cc1)Cl)\C)/C(=O)OC	0.368	0.653	0.861	0.662	0.912	0.853	0.832	0.7	0.746	0.955	0.946
Compound_347	COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl	0.355	0.861	0.95	0.733	0.614	0.881	0.045	0.755	0.409	0.485	0.25
Compound_348	CC(=CCNc1ncnc2c1[nH]cn2)C	0.241	0.546	0.783	0.349	0.249	0.778	0.003	0.621	0.585	0.014	0.31
Compound_349	O[C@@H](C(C)(C)C)/C(=C\c1ccc(cc1)Cl)/n1ncnc1	0.475	0.651	0.74	0.815	0.08	0.89	0.154	0.489	0.511	0.482	0.401
Compound_350	Clc1ccc(c(c1)Cl)/C=C(\C(C(C)(C)C)O)/n1cncn1	0.471	0.76	0.714	0.836	0.305	0.898	0.139	0.811	0.524	0.672	0.396
Compound_351	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C	0.417	0.334	0.6	0.264	0.195	0.58	0.022	0.488	0.382	0.161	0.5
Compound_352	CCCCCCCCNCCNCCNCCCCCCCC	0.112	0.067	0.037	0.451	0.033	0.215	0.061	0.137	0.511	0.833	0.154
Compound_353	CCOP(=S)(O/N=C(/c1ccccc1)\C#N)OCC	0.713	0.47	0.915	0.503	0.515	0.192	0.999	0.847	0.119	0.7	0.703
Compound_354	CCCCCCCC(=O)Oc1c(I)cc(cc1I)C#N	0.95	0.356	0.611	0.727	0.901	0.321	0.959	0.975	0.335	0.99	0.869
Compound_355	CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N	0.977	0.366	0.611	0.727	0.688	0.898	0.973	0.975	0.372	0.994	0.869
Compound_356	N#Cc1cc(Br)c(c(c1)Br)O	0.966	0.139	0.585	0.685	0.685	0.898	0.974	0.952	0.551	0.959	0.973
Compound_357	N#CCCC(C#N)(CBr)Br	0.919	0.201	0.152	0.664	0.351	0.161	0.975	0.925	0.658	0.972	0.969
Compound_358	CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C	0.404	0.464	0.721	0.554	0.256	0.627	0.673	0.169	0.426	0.231	0.905
Compound_359	N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br	0.624	0.632	0.831	0.558	0.64	0.661	0.616	0.35	0.748	0.355	0.561
Compound_360	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br	0.881	0.506	0.824	0.764	0.849	0.4	0.929	0.162	0.399	0.882	0.259
Compound_361	OCC(N(=O)=O)(CO)Br	0.426	0.128	0.099	0.598	0.196	0.098	0.105	0.967	0.568	0.049	0.611
Compound_362	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	0.451	0.547	0.451	0.433	0.093	0.098	0.877	0.029	0.656	0.185	0.627
Compound_363	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_364	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C	0.256	0.398	0.122	0.254	0.121	0.583	0.018	0.1	0.321	0.407	0.396
Compound_365	N=C(N1CCOCC1)N=C(N)N	0.064	0.186	0.392	0.485	0.009	0.23	0.001	0.366	0.237	0.088	0.087
Compound_366	CNC(=O)CSP(=O)(OC)OC	0.19	0.065	0.456	0.364	0.033	0.033	0.008	0.376	0.408	0.128	0.384
Compound_367	CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)CC[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	0.868	1.0	0.08	0.562	0.954	0.898	0.799	0.995	0.948	0.852	0.181
Compound_368	CCOCN(c1c(C)cccc1CC)C(=O)CCl	0.908	0.815	0.876	0.718	0.905	0.177	0.996	0.982	0.462	0.86	0.788
Compound_369	N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.281	0.408	0.418	0.583	0.704	0.645	0.766	0.988	0.421	0.262	0.695
Compound_370	CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C	0.609	0.87	0.025	0.255	0.416	0.475	0.1	0.777	0.276	0.32	0.534
Compound_371	CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C	0.35	0.54	0.956	0.682	0.587	0.717	0.409	0.775	0.477	0.708	0.631
Compound_372	CCOc1cc(ccc1OCC)NC(=O)OC(C)C	0.462	0.456	0.924	0.733	0.396	0.47	0.461	0.537	0.413	0.148	0.321
Compound_373	CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC	0.952	0.838	0.97	0.421	0.121	0.611	0.0	0.937	0.358	0.722	0.53
Compound_374	[O-]C(=O)C	0.769	0.059	0.129	0.298	0.033	0.008	0.9	0.891	0.776	0.922	0.889
Compound_375	CCSS(=O)(=O)CC	0.737	0.12	0.58	0.486	0.048	0.037	0.929	0.127	0.436	0.999	0.445
Compound_376	OC(=O)COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.938	0.714	0.866	0.664	0.93	0.742	0.989	0.979	0.376	0.748	0.912
Compound_377	ClCCP(=O)(O)O	0.718	0.096	0.034	0.395	0.625	0.098	0.812	0.581	0.918	0.141	0.356
Compound_378	COP(=O)(NC(=O)C)SC	0.333	0.066	0.222	0.335	0.112	0.105	0.152	0.033	0.705	0.557	0.477
Compound_379	CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C	0.418	0.491	0.865	0.695	0.242	0.898	0.558	0.886	0.301	0.993	0.327
Compound_380	CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.952	0.848	0.921	0.787	0.961	0.739	0.995	0.994	0.511	0.99	0.956
Compound_381	N#C/C(=C(/c1cc(nn1CC)C)\OC(=O)C(C)(C)C)/c1ccc(cc1)C(C)(C)C	0.711	0.617	0.494	0.566	0.72	0.499	0.631	0.979	0.511	0.509	0.765
Compound_382	ClCC(=O)N(c1c(C)cccc1CC)COC(C)C	0.906	0.746	0.827	0.723	0.9	0.147	0.996	0.995	0.617	0.926	0.779
Compound_383	COC[C@@H](N(c1c(C)cccc1CC)C(=O)CCl)C	0.952	0.789	0.561	0.785	0.917	0.098	0.993	0.991	0.511	0.315	0.759
Compound_384	O=C(N(C)C)Nc1ccc(cc1)C(C)C	0.847	0.238	0.818	0.571	0.27	0.844	0.265	0.059	0.739	0.183	0.093
Compound_385	CNC(=O)Oc1ccccc1C(C)C	0.233	0.431	0.382	0.424	0.076	0.081	0.007	0.965	0.476	0.096	0.063
Compound_386	CC(OP(=O)(OC(C)C)SCc1ccccc1)C	0.802	0.374	0.896	0.551	0.155	0.092	0.993	0.954	0.695	0.97	0.454
Compound_387	O=C1N(OCC1(C)C)Cc1ccccc1Cl	0.188	0.665	0.723	0.611	0.2	0.697	0.387	0.951	0.38	0.879	0.766
Compound_388	O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1	0.467	0.536	0.642	0.692	0.543	0.65	0.823	0.959	0.395	0.239	0.471
Compound_389	CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C	0.739	0.462	0.501	0.432	0.694	0.098	0.065	0.839	0.393	0.012	0.219
Compound_390	N#Cc1ccccc1NC(=O)c1snc(c1Cl)Cl	0.752	0.632	0.969	0.743	0.534	0.7	0.985	0.873	0.822	0.925	0.788
Compound_391	C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.132	0.736	0.932	0.879	0.76	0.898	0.006	0.921	0.351	0.986	0.619
Compound_392	O=C(c1ccccc1)NN(C(C)(C)C)C(=O)c1ccccc1	0.447	0.676	0.455	0.238	0.059	0.876	0.678	0.696	0.511	0.519	0.562
Compound_393	O=c1ccc(=O)[nH][nH]1	0.769	0.254	0.603	0.506	0.365	0.13	0.954	0.015	0.878	0.144	0.656
Compound_394	COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F	0.952	0.889	0.87	0.731	0.852	0.743	0.95	0.609	0.407	0.11	0.564
Compound_395	CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC	0.84	0.804	0.983	0.609	0.677	0.231	0.737	0.465	0.769	0.995	0.142
Compound_396	CCNc1nc(NC(C)C)nc(n1)SC	0.882	0.09	0.69	0.358	0.057	0.098	0.0	0.023	0.458	0.835	0.515
Compound_397	CCNc1nc(NC(C)C)nc(n1)OC	0.526	0.131	0.69	0.358	0.019	0.088	0.0	0.023	0.473	0.887	0.374
Compound_398	CCCCCCN[C@H]1C(O[C@@H]([C@@H]([C@H]1O)OC(=O)N)CO)NC1=NC2C(N1)C(O)CNC2=O	0.495	0.636	0.0	0.28	0.04	0.359	0.007	0.013	0.277	0.272	0.482
Compound_399	CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C	0.952	0.849	0.694	0.888	0.071	0.898	0.86	0.572	0.279	0.024	0.446
Compound_400	CCC(Nc1c(cc(cc1N(=O)=O)C(C)(C)C)N(=O)=O)C	0.857	0.441	0.938	0.44	0.689	0.077	0.01	0.918	0.662	0.774	0.845
Compound_401	CCC(c1ccccc1OC(=O)NC)C	0.263	0.406	0.117	0.427	0.102	0.123	0.017	0.978	0.511	0.122	0.093
Compound_402	CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl	0.952	0.484	0.878	0.711	0.629	0.597	0.984	0.964	0.442	0.153	0.489
Compound_403	CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC	0.586	0.659	0.516	0.597	0.228	0.341	0.771	0.992	0.433	0.678	0.624
Compound_404	Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C	0.469	0.716	0.129	0.568	0.784	0.768	0.817	0.952	0.711	0.46	0.635
Compound_405	Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F	0.445	0.312	0.082	0.423	0.397	0.267	0.179	0.542	0.398	0.283	0.673
Compound_406	CCCCCCCCc1c(CC)nc2n(c1N)ncn2	0.358	0.65	0.049	0.431	0.104	0.661	0.012	0.593	0.719	0.211	0.355
Compound_407	CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC	0.453	0.594	0.747	0.253	0.402	0.544	0.268	0.304	0.316	0.146	0.584
Compound_408	O=C1C[C@@H]2[C@@H]([C@@]3([C@H]1CC(=C(C3)O)O)C)CC[C@]1([C@@]2(O)C=C[C@]1(C)[C@]([C@@H](CCC(O)(C)C)O)(O)C)C	0.933	0.967	0.021	0.59	0.95	0.796	0.356	0.935	0.363	0.931	0.31
Compound_409	OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C	0.775	0.443	0.454	0.483	0.563	0.499	0.636	0.894	0.386	0.899	0.5
Compound_410	COC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)CO)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)N)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)N)O	0.097	0.678	0.002	0.334	0.734	0.672	0.012	0.637	0.391	0.114	0.248
Compound_411	CC([C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)Cc1ccccc1)C(C)C)C)Cc1ccccc1)C(C)C)C	0.231	0.682	0.36	0.548	0.242	0.753	0.746	0.823	0.391	0.075	0.137
Compound_412	CCC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@]4([C@H]([C@@H]3COC(=O)[C@H]2C[C@@H]1OC(=O)CC)CC[C@@H]4[C@@H]([C@H]1O[C@@H]1[C@H](C(C)C)CC)C)C	0.913	0.727	0.047	0.675	0.978	0.711	0.568	0.275	0.203	0.932	0.903
Compound_413	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O	0.89	0.819	0.009	0.262	0.964	0.675	0.101	0.984	0.427	0.895	0.601
Compound_414	OC(=O)C1C2C=CC(C1(C(=O)O)N(=O)=O)C2	0.305	0.351	0.051	0.207	0.397	0.405	0.276	0.815	0.408	0.19	0.872
Compound_415	COc1ccc(cc1[O-])N(=O)=O	0.983	0.255	0.895	0.59	0.399	0.422	0.997	0.786	0.723	0.995	0.934
Compound_416	c1coc(c1)CNc1ncnc2c1[nH]cn2	0.204	0.578	0.856	0.39	0.484	0.669	0.027	0.37	0.302	0.135	0.66
Compound_417	CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1	0.818	0.528	0.109	0.615	0.043	0.094	0.832	0.924	0.395	0.769	0.507
Compound_418	O=C1CCC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.793	0.556	0.161	0.153	0.197	0.641	0.002	0.1	0.319	0.885	0.215
Compound_419	CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)C[C@]([C@@]32OC([C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)C)C3OC(=O)C)(C)C)(C)O	0.604	0.758	0.019	0.619	0.935	0.952	0.984	0.034	0.791	0.089	0.724
Compound_420	CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)([O-])[O-])O)n1cnc2c1ncnc2N)[O-])[O-])(C)C)O	0.685	0.739	0.018	0.476	0.462	0.642	0.056	0.948	0.387	0.642	0.59
Compound_421	[S]	0.896	0.136	0.433	0.496	0.646	0.055	0.779	0.897	0.966	1.0	0.882
Compound_422	OC(=O)Cc1cccc2c1cccc2	0.05	0.294	0.335	0.352	0.153	0.098	0.997	0.111	0.058	0.303	0.317
Compound_423	OC(=O)C(CC(=O)O)(CC(=O)O)O	0.141	0.059	0.026	0.103	0.064	0.061	0.051	0.347	0.511	0.004	0.093
Compound_424	OC/C(=C/CNc1ncnc2c1[nH]cn2)/C	0.275	0.572	0.513	0.296	0.223	0.744	0.001	0.649	0.405	0.168	0.334
Compound_425	NC#N	0.606	0.22	0.194	0.442	0.644	0.034	0.041	0.127	0.92	0.918	0.674
Compound_426	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_427	COc1ccc2c(c1CC=C(C)C)oc(=O)cc2	0.714	0.759	0.988	0.727	0.663	0.437	0.363	0.963	0.846	0.817	0.802
Compound_428	CCCC/C=C\CCCCCCCCCC=O	0.99	0.063	0.268	0.594	0.284	0.308	1.0	0.956	0.797	1.0	0.87
Compound_429	CCCC/C=C\CCCCCCCCCCOC(=O)C	0.985	0.009	0.235	0.728	0.61	0.232	1.0	0.986	0.923	1.0	0.942
Compound_430	O=CCCCCCCCCCCC/C=C\CCCC	0.99	0.063	0.268	0.594	0.272	0.507	1.0	0.956	0.797	1.0	0.87
Compound_431	CCCC/C=C\CCCCCCOC(=O)C	0.96	0.009	0.235	0.728	0.452	0.045	0.997	0.986	0.919	1.0	0.942
Compound_432	CCCCCC/C=C\CCCCCCCC=O	0.99	0.045	0.268	0.594	0.284	0.308	1.0	0.956	0.861	1.0	0.875
Compound_433	CCCC/C=C\CCCCCCCCOC(=O)C	0.985	0.009	0.235	0.728	0.629	0.098	0.999	0.986	0.923	1.0	0.942
Compound_434	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)[O-])C	0.978	0.565	0.713	0.424	0.882	0.563	0.779	0.775	0.118	1.0	0.438
Compound_435	CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-]	0.877	0.357	0.136	0.369	0.007	0.026	0.921	0.957	0.378	0.993	0.843
Compound_436	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O	0.554	0.375	0.003	0.512	0.872	0.708	0.228	0.089	0.524	0.55	0.091
Compound_437	CC(c1ccc(c(c1)O)C)C	0.718	0.067	0.83	0.563	0.258	0.116	0.233	0.925	0.505	0.978	0.339
Compound_438	O	0.885	0.134	0.433	0.496	0.633	0.054	0.391	0.897	0.948	0.948	0.881
Compound_439	OC(=O)CCCc1c[nH]c2c1cccc2	0.178	0.364	0.931	0.239	0.293	0.62	0.04	0.114	0.29	0.003	0.144
Compound_440	OC(=O)Cc1c[nH]c2c1cccc2	0.065	0.296	0.708	0.325	0.206	0.626	0.104	0.204	0.386	0.004	0.185
Compound_441	C/C=C(/C(=O)O[C@H]1C[C@@H](OC(=O)C)[C@@]2([C@H]3[C@@]41CO[C@]([C@H]4[C@@](C)([C@@H]([C@@H]3OC2)O)[C@@]12O[C@@]2(C)[C@H]2C[C@@H]1O[C@H]1[C@]2(O)C=CO1)(O)C(=O)OC)C(=O)OC)\C	0.846	0.92	0.033	0.606	0.914	0.663	0.885	0.987	0.637	0.759	0.987
Compound_442	O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@H](C(C)C)C)O	0.532	0.824	0.017	0.606	0.937	0.722	0.157	0.626	0.28	0.822	0.273
Compound_443	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.983	0.94	0.02	0.769	0.898	0.901	0.007	0.96	0.204	1.0	0.919