Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	NCCc1ccc(c(c1)O)OC	0.232	0.157	0.237	0.476	0.055	0.073	0.006	0.09	0.092	0.001	0.026
Compound_2	Brc1ccc(c(c1)C(=O)c1ccccc1F)N	0.851	0.594	0.978	0.72	0.614	0.65	0.992	0.964	0.505	0.99	0.802
Compound_3	FC(CC[Si](Cl)(C)C)(F)F	0.935	0.42	0.247	0.637	0.199	0.289	0.995	0.876	0.737	0.949	0.615
Compound_4	COC(=O)C1CCCN1	0.006	0.243	0.016	0.216	0.02	0.001	0.004	0.054	0.218	0.001	0.061
Compound_5	COC(=O)C(Cc1ccccc1)N	0.099	0.148	0.385	0.424	0.006	0.008	0.041	0.019	0.382	0.013	0.013
Compound_6	COC(=O)C(CCCNC(=N)N)N	0.015	0.109	0.022	0.284	0.013	0.077	0.0	0.173	0.141	0.001	0.022
Compound_7	NC(=O)OCCCl	0.45	0.096	0.057	0.342	0.055	0.035	0.524	0.525	0.505	0.067	0.614
Compound_8	CCC(C1CCCCC1)OC(=O)C	0.944	0.06	0.104	0.508	0.146	0.035	0.989	0.336	0.838	0.995	0.5
Compound_9	C[Si](O[Si](c1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C)(C)C	0.749	0.211	0.161	0.562	0.133	0.447	1.0	0.325	0.916	0.962	0.346
Compound_10	CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCC	0.979	0.019	0.315	0.548	0.106	0.117	1.0	0.667	0.693	1.0	0.929
Compound_11	CCC(C(C(=O)Oc1ccc(cc1)N(=O)=O)NC(=O)OCc1ccccc1)C	0.499	0.812	0.368	0.533	0.873	0.833	0.1	0.945	0.27	0.482	0.5
Compound_12	c1ccc(cc1)[Si](c1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.545	0.631	0.722	0.65	0.979	0.528	0.998	0.434	0.969	0.979	0.945
Compound_13	CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2=O)OC(=O)C)C	0.941	0.748	0.043	0.503	0.806	0.887	0.02	0.715	0.078	0.931	0.899
Compound_14	CCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1	0.939	0.438	0.619	0.605	0.281	0.237	0.988	0.325	0.731	0.996	0.917
Compound_15	CC(=O)OCC(=O)C1=CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.947	1.0	0.078	0.976	0.737	0.802	0.066	0.062	0.153	0.311	0.015
Compound_16	CCC(Nc1ccc(cc1)Cc1ccc(cc1)NC(CC)C)C	0.739	0.457	0.926	0.375	0.422	0.908	0.307	0.862	0.713	0.967	0.813
Compound_17	NCCC(C[Si](OC)(OC)OC)CN	0.302	0.079	0.023	0.377	0.018	0.1	0.001	0.006	0.295	0.005	0.132
Compound_18	COc1cc(C)c(c(c1CC1=NCCN1)C)OC	0.083	0.52	0.332	0.223	0.009	0.024	0.001	0.01	0.364	0.008	0.086
Compound_19	CNCCC[Si](OCC)(OCC)OCC	0.292	0.106	0.106	0.301	0.024	0.097	0.001	0.014	0.334	0.028	0.248
Compound_20	CC=CCCc1ccccc1C	0.665	0.24	0.82	0.599	0.068	0.019	0.927	0.806	0.804	0.951	0.451
Compound_21	CCN(CCCNCCCN(CC)CC)CC	0.056	0.237	0.003	0.141	0.014	0.026	0.003	0.451	0.473	0.913	0.133
Compound_22	OC(=O)C(C(c1ccco1)O)N	0.096	0.18	0.019	0.206	0.016	0.072	0.042	0.102	0.206	0.013	0.224
Compound_23	COC(=O)C(Br)C	0.793	0.04	0.401	0.671	0.574	0.082	0.999	0.998	0.674	0.921	0.907
Compound_24	CCCCCCC(C(=O)OC)Br	0.928	0.034	0.285	0.717	0.706	0.15	0.997	1.0	0.383	0.997	0.914
Compound_25	OC(=O)C1(CCC1)C(=O)O	0.411	0.12	0.307	0.263	0.34	0.583	0.215	0.345	0.249	0.004	0.362
Compound_26	CCC(=O)OC1(C=C)CCCCC1	0.954	0.305	0.357	0.668	0.57	0.123	0.829	1.0	0.275	1.0	0.53
Compound_27	COc1ccc(c(c1)O)C(=O)OC	0.752	0.167	0.569	0.647	0.789	0.418	0.369	0.005	0.476	0.082	0.093
Compound_28	OCC(=CBr)Br	0.894	0.19	0.401	0.557	0.319	0.087	0.965	0.883	0.639	0.868	0.981
Compound_29	CC(c1ccc2c(c1)cccc2)O	0.334	0.689	0.564	0.419	0.124	0.275	0.699	0.228	0.723	0.981	0.909
Compound_30	CC(=Cc1ccccc1)CC(=O)N	0.159	0.31	0.075	0.317	0.003	0.022	0.781	0.117	0.581	0.317	0.159
Compound_31	OCC1OC([O-])C(C(C1O)O)Oc1c[nH]c2c1c(Cl)c(cc2)Br	0.542	0.452	0.996	0.518	0.684	0.654	0.01	0.841	0.392	0.869	0.93
Compound_32	BrC(S(=O)(=O)C(Br)(Br)Br)(Br)Br	0.788	0.119	0.352	0.665	0.343	0.481	0.944	0.995	0.831	0.999	0.721
Compound_33	COC(=O)CCN(c1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1Cl)N(=O)=O)CCC(=O)OC	0.732	0.649	0.474	0.531	0.567	0.629	0.788	0.879	0.49	0.9	0.401
Compound_34	O=c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(=O)nc([nH]2)Nc2ccccc2)[nH]c(n1)Nc1ccccc1	0.596	0.377	0.78	0.445	0.719	0.659	0.661	0.779	0.403	0.02	0.431
Compound_35	Nc1ccc(c(c1)N)N=Nc1cc(ccc1O)S(=O)(=O)[O-]	0.856	0.328	0.91	0.595	0.554	0.656	0.12	0.986	0.419	0.083	0.142
Compound_36	[O-]C(=O)C(CCl)(Cl)C	0.878	0.037	0.117	0.582	0.198	0.023	0.999	0.99	0.763	0.911	0.964
Compound_37	CCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.945	0.96	0.307	0.728	0.947	0.887	0.013	0.816	0.113	1.0	0.387
Compound_38	Clc1ccc(c(c1)P(=O)(O)O)N=Nc1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccc(cc1P(=O)(O)O)Cl)S(=O)(=O)O	0.721	0.468	0.874	0.299	0.813	0.651	0.462	0.017	0.54	0.866	0.376
Compound_39	COc1cc(cc(c1OC)O)C(=O)O	0.556	0.146	0.098	0.388	0.737	0.059	0.726	0.074	0.333	0.257	0.128
Compound_40	CCC(C(=O)O)C1CCCCC1	0.754	0.046	0.067	0.166	0.116	0.005	0.725	0.163	0.094	0.681	0.058
Compound_41	CC(C(=O)O)C1CCCCC1	0.731	0.057	0.067	0.198	0.116	0.005	0.725	0.179	0.126	0.569	0.085
Compound_42	OC1CCC2(C(=CCC3C2CCC2(C3CCC2(O)C(=O)COC(=O)C)C)C1)C	0.967	1.0	0.013	0.882	0.593	0.86	0.007	0.059	0.088	0.212	0.076
Compound_43	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)Cc1nc[nH]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	0.419	0.618	0.012	0.183	0.5	0.681	0.158	0.202	0.406	0.346	0.156
Compound_44	CC(=O)OC1CC(OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CC(C3C2=CC(=O)OC2)OC(=O)C)C)C)OC(C1OC1OC(C)C(C(C1)OC(=O)C)OC1OC(C)C(C(C1)OC(=O)C)OC(=O)C)C	0.935	0.99	0.006	0.697	0.975	0.715	0.954	0.984	0.973	0.217	0.985
Compound_45	COc1cc(N=Nc2cccc(c2)S(=O)(=O)[O-])ccc1NC(=O)Nc1ccc(cc1)N=Nc1ccc(c(c1)C(=O)[O-])O	0.731	0.434	0.998	0.674	0.734	0.636	0.978	0.579	0.314	0.146	0.259
Compound_46	OC(=O)CC1NC(=S)N(C1=O)c1ccccc1	0.36	0.323	0.066	0.142	0.251	0.339	0.004	0.019	0.357	0.024	0.264
Compound_47	CC1NC(=O)C(NC1=O)C	0.013	0.209	0.224	0.333	0.007	0.002	0.0	0.022	0.302	0.164	0.35
Compound_48	O=C1OC(=O)C2N1CCC2	0.068	0.335	0.206	0.489	0.047	0.04	0.08	0.976	0.212	0.103	0.299
Compound_49	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCNCC1	0.06	0.394	0.03	0.136	0.094	0.143	0.464	0.206	0.796	0.004	0.014
Compound_50	CCCCCCCC(=O)NC(=N)N	0.133	0.058	0.043	0.332	0.014	0.643	0.062	0.062	0.373	0.359	0.117
Compound_51	[O-]C(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)O)ccc1O	0.731	0.371	0.993	0.595	0.759	0.558	0.338	0.261	0.198	0.122	0.201
Compound_52	O=C(c1ccccc1)C1CC2CC1C=C2	0.866	0.587	0.219	0.624	0.211	0.303	0.662	0.826	0.243	0.999	0.942
Compound_53	OP(=O)(CN(CP(=O)(O)O)Cc1ccccc1)O	0.385	0.257	0.012	0.07	0.088	0.289	0.21	0.001	0.608	0.019	0.236
Compound_54	CCCCCC(=O)OC1CC(C)CCC1C(C)C	0.864	0.268	0.092	0.491	0.153	0.019	0.851	0.094	0.344	0.998	0.426
Compound_55	CCCCCCCCC=CCCCCCCCC(=O)OC1CC(C)CCC1C(C)C	0.964	0.329	0.297	0.568	0.486	0.059	0.772	0.68	0.415	1.0	0.594
Compound_56	OC(c1ccccc1)(c1ccccc1)CCN1CCCC1	0.03	0.412	0.224	0.041	0.106	0.373	0.003	0.002	0.225	0.079	0.141
Compound_57	BrC(C(=O)c1ccccc1)c1ccccc1	0.539	0.596	0.825	0.624	0.839	0.785	0.962	0.993	0.511	0.999	0.984
Compound_58	CCOC(=O)C(=NO)C#N	0.715	0.256	0.863	0.549	0.21	0.123	0.935	0.838	0.435	0.447	0.879
Compound_59	CC(C(C)(C)C)N	0.146	0.015	0.156	0.394	0.016	0.012	0.001	0.009	0.807	0.773	0.27
Compound_60	CC(COC(=O)c1cc(O)c(c(c1)O)O)C	0.759	0.211	0.845	0.614	0.909	0.168	0.462	0.696	0.497	0.667	0.058
Compound_61	CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)Br	0.938	1.0	0.396	0.997	0.686	0.678	0.09	0.013	0.215	0.419	0.178
Compound_62	Cc1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2	0.683	0.652	0.831	0.515	0.537	0.79	0.976	0.939	0.367	0.086	0.455
Compound_63	CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C	0.979	1.0	0.405	0.872	0.608	0.859	0.423	0.976	0.171	0.987	0.259
Compound_64	Fc1c(P(c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F	0.815	0.312	0.583	0.562	0.925	0.316	0.999	0.99	0.611	0.999	0.718
Compound_65	CCCCCCCCCCCCc1ccc(c(c1)Sc1cc(CCCCCCCCCCCC)ccc1O)O	0.666	0.588	0.409	0.629	0.737	0.772	0.22	0.889	0.858	0.996	0.954
Compound_66	CCCCCCCCCCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OC(=O)CCCCCCCCCC)C	0.944	0.708	0.027	0.484	0.977	0.974	0.091	0.306	0.097	0.997	0.973
Compound_67	NCC1CCCC1	0.113	0.177	0.054	0.38	0.014	0.069	0.001	0.008	0.556	0.363	0.12
Compound_68	OC1CNc2c(C1)cc(c1c2cccc1O)N=Nc1ccc(cc1Cl)N(=O)=O	0.719	0.589	0.901	0.543	0.807	0.683	0.158	0.541	0.445	0.211	0.905
Compound_69	OCC1COC(O1)C(I)C	0.568	0.143	0.082	0.657	0.124	0.345	0.318	0.842	0.293	0.396	0.381
Compound_70	N=C(N1CCN(CC1)C(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc1ccc(cc1)Cl	0.217	0.518	0.05	0.422	0.663	0.96	0.02	0.866	0.464	0.072	0.088
Compound_71	Oc1ccc(cc1)N=Nc1cccc2c1cccc2	0.981	0.856	0.994	0.769	0.984	0.971	0.997	0.936	0.839	0.995	0.958
Compound_72	CC(=O)Nc1ccc(cc1S(=O)(=O)O)N	0.37	0.227	0.754	0.261	0.511	0.586	0.084	0.016	0.367	0.003	0.105
Compound_73	CCOC(=O)C1OC21CCCCC2	0.922	0.285	0.064	0.66	0.243	0.084	0.974	0.946	0.153	0.771	0.725
Compound_74	O=CC=Cc1ccc(cc1)C(C)C	0.94	0.2	0.758	0.692	0.074	0.44	0.946	0.691	0.94	0.994	0.541
Compound_75	CCCCC(CNC(=O)C=CC(=O)O)CC	0.091	0.116	0.018	0.288	0.2	0.124	0.001	0.295	0.657	0.096	0.095
Compound_76	O=C1NC(=O)CC21CCC2	0.073	0.362	0.069	0.273	0.186	0.6	0.021	0.205	0.439	0.014	0.448
Compound_77	CCOP(=S)(CC)Cl	0.7	0.261	0.403	0.632	0.378	0.205	0.991	0.971	0.466	0.998	0.7
Compound_78	COc1cc(cc2c1OC1(C=C2)N(C)c2c(C1(C)C)cccc2)N(=O)=O	0.659	0.705	0.293	0.615	0.839	0.754	0.895	0.873	0.64	0.885	0.767
Compound_79	OCC(CBr)O	0.576	0.109	0.075	0.5	0.228	0.08	0.952	0.285	0.097	0.43	0.677
Compound_80	COc1ccc(cc1)C=Cc1ccc(cc1)OC	0.85	0.696	0.792	0.744	0.595	0.959	0.953	0.081	0.933	0.933	0.892
Compound_81	CC1=NN(C(=O)C1N=Nc1snc(n1)c1ccccc1)c1ccccc1	0.494	0.553	0.978	0.733	0.288	0.844	0.33	0.8	0.4	0.442	0.219
Compound_82	Cc1cccc(c1)N=Nc1ccc(cc1C)N=Nc1c(O)ccc2c1cccc2	0.914	0.874	0.985	0.723	0.952	0.84	0.809	0.987	0.595	0.991	0.909
Compound_83	NCCC[Si](OCC)(OCC)C	0.547	0.122	0.115	0.345	0.029	0.123	0.002	0.001	0.139	0.074	0.28
Compound_84	Clc1ccc(c(c1)Cl)Nc1[nH]n(c(=O)c1)c1c(Cl)cc(cc1Cl)Cl	0.47	0.617	0.544	0.582	0.647	0.685	0.922	0.095	0.511	0.266	0.199
Compound_85	OCC1OC(CC1O)n1ccc(nc1=O)NC(=O)c1ccccc1	0.799	0.31	0.036	0.498	0.014	0.519	0.028	0.071	0.205	0.064	0.912
Compound_86	O=C1CCCCCCCCCCC=CCCO1	0.959	0.174	0.523	0.699	0.425	0.068	0.997	0.975	0.165	0.998	0.828
Compound_87	CCC(=O)OC1CC(C)CCC1C(C)C	0.924	0.268	0.093	0.522	0.151	0.015	0.832	0.341	0.302	0.998	0.426
Compound_88	CC1=NN(C(=O)C1N=Nc1ccc(cc1O)N(=O)=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)[O-]	0.564	0.459	0.464	0.437	0.548	0.646	0.603	0.751	0.406	0.262	0.53
Compound_89	CC(N(CP(=O)(O)O)CP(=O)(O)O)C	0.191	0.11	0.009	0.045	0.128	0.155	0.017	0.007	0.349	0.037	0.31
Compound_90	[O-]C(=O)c1ccccc1[I+]c1ccccc1	0.954	0.248	0.359	0.448	0.368	0.375	0.997	0.043	0.41	0.98	0.742
Compound_91	CC(C(C(=O)N)C#N)C(C(=O)N)C#N	0.092	0.148	0.019	0.22	0.078	0.047	0.078	0.094	0.561	0.101	0.718
Compound_92	CCC(N(=O)=O)C(O)C	0.357	0.103	0.181	0.491	0.045	0.102	0.171	0.606	0.414	0.812	0.61
Compound_93	OC(=O)C(C(c1ccccc1)O)c1ccccc1	0.034	0.673	0.002	0.155	0.284	0.115	0.906	0.008	0.058	0.093	0.441
Compound_94	NCCCCl	0.294	0.054	0.052	0.448	0.143	0.069	0.003	0.014	0.068	0.235	0.533
Compound_95	CCNC(=O)C(O)C	0.005	0.102	0.002	0.274	0.004	0.007	0.002	0.029	0.169	0.004	0.068
Compound_96	CCCC(c1ccc(cc1)C)O	0.239	0.114	0.148	0.397	0.084	0.157	0.305	0.067	0.519	0.165	0.057
Compound_97	COc1ccccc1C(=O)Cl	0.77	0.261	0.844	0.735	0.089	0.174	0.402	0.313	0.897	0.887	0.812
Compound_98	CC(=O)CC(=O)OCC(OC(=O)CC(=O)C)C	0.825	0.02	0.206	0.666	0.205	0.095	0.983	0.26	0.531	0.777	0.863
Compound_99	O=C1CCC2(O1)C1CCC(C2(C)C)C1	0.882	0.539	0.089	0.545	0.589	0.154	0.615	0.696	0.345	0.987	0.648
Compound_100	CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4C(=O)O)C)C(=C3CCC(=O)O)C	0.587	0.552	0.824	0.247	0.664	0.665	0.228	0.667	0.179	0.03	0.616
Compound_101	CCC1CCCC1=O	0.943	0.298	0.294	0.486	0.02	0.017	0.922	0.059	0.225	0.999	0.922
Compound_102	Cl[Si](C([Si](Cl)(Cl)Cl)Cc1ccccc1)(Cl)Cl	0.747	0.349	0.55	0.677	0.345	0.445	0.998	0.842	0.868	0.999	0.562
Compound_103	O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C	0.962	1.0	0.087	1.0	0.648	0.934	0.078	0.039	0.304	0.196	0.039
Compound_104	O=C(CC(C(=O)OOC(C)(C)C)C)OOC(C)(C)C	0.732	0.041	0.482	0.492	0.124	0.047	0.908	0.652	0.683	0.146	0.675
Compound_105	Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)[O-]	0.901	0.528	0.993	0.631	0.86	0.739	0.834	0.995	0.496	0.706	0.17
Compound_106	CC(CC(=C)C)O	0.802	0.125	0.079	0.6	0.039	0.003	0.384	0.827	0.152	0.777	0.826
Compound_107	ClP1(Cl)(Cl)Oc2c(O1)cccc2	0.945	0.533	0.808	0.631	0.333	0.012	0.928	0.743	0.914	0.995	0.65
Compound_108	c1ccc(cc1)Cc1nc2c(o1)cccc2	0.063	0.596	0.989	0.6	0.61	0.601	0.633	0.777	0.916	0.758	0.921
Compound_109	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(OCCN(C)C)O	0.873	0.217	0.004	0.263	0.5	0.124	0.561	0.311	0.281	0.115	0.308
Compound_110	CC1(CCC)CC(=O)NC1=O	0.073	0.412	0.186	0.313	0.047	0.08	0.07	0.04	0.489	0.013	0.387
Compound_111	O=C1CC(C(O1)C(=O)O)C(=O)O	0.348	0.14	0.06	0.236	0.044	0.094	0.224	0.821	0.451	0.012	0.056
Compound_112	O=C1C=C(C)C(=C(C)C)C(C1)(C)C	0.974	0.364	0.669	0.683	0.138	0.163	0.516	0.975	0.546	0.998	0.799
Compound_113	CCCCCCCCCCCCC(O)C	0.928	0.036	0.059	0.562	0.067	0.044	0.92	0.525	0.36	0.972	0.523
Compound_114	COC(=O)CC1=C(CCC(=O)OC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC(=O)OC)CCC(=O)OC)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC	0.655	0.579	0.823	0.616	0.69	0.662	0.568	0.987	0.386	0.826	0.742
Compound_115	CCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N(C)C)CC[n+]1ccccc1	0.434	0.602	0.878	0.571	0.677	0.646	0.083	0.904	0.35	0.42	0.393
Compound_116	CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(cc1)c1sc2c(n1)ccc(c2)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-]	0.621	0.649	1.001	0.721	0.643	0.697	0.981	0.974	0.42	0.067	0.233
Compound_117	C1CCCCCC=CCCCC1	0.999	0.14	0.336	0.612	0.479	0.067	0.997	0.751	0.946	0.999	0.567
Compound_118	CCn1ccc(=CC=Cc2cc[n+](c3c2cccc3)CC)c2c1cccc2	0.568	0.711	0.745	0.648	0.371	0.605	0.016	0.951	0.593	0.372	0.883
Compound_119	CCOc1cc(C)ccc1C(C)C	0.139	0.137	0.856	0.624	0.162	0.161	0.071	0.718	0.535	0.99	0.679
Compound_120	CC1CC=CC=C1C=O	0.878	0.442	0.802	0.588	0.166	0.439	0.968	0.984	0.883	0.999	0.717
Compound_121	CN(c1ccc(cc1)P(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)C	0.722	0.703	0.896	0.549	0.955	0.627	0.955	0.406	0.958	0.973	0.865
Compound_122	ClCC[NH+]1CCCCC1	0.066	0.118	0.177	0.506	0.073	0.044	0.002	0.815	0.511	0.234	0.085
Compound_123	CCOC(=O)C1=NN(C(=O)C1N=Nc1cc(Cl)ccc1Cl)c1ccccc1	0.677	0.622	0.975	0.754	0.559	0.656	0.869	0.81	0.406	0.465	0.576
Compound_124	NP(=O)(Oc1ccccc1)Oc1ccccc1	0.932	0.612	0.646	0.389	0.658	0.147	0.95	0.003	0.95	0.008	0.5
Compound_125	CN(C(OC1CCCCC1)OC1CCCCC1)C	0.585	0.486	0.014	0.174	0.069	0.246	0.28	0.923	0.293	0.772	0.068
Compound_126	N#CC1(C#N)OC1(C#N)C#N	0.861	0.343	0.017	0.516	0.543	0.126	0.277	0.922	0.64	0.95	0.963
Compound_127	CCC(C(=O)OC)Br	0.716	0.043	0.295	0.687	0.658	0.097	0.998	0.999	0.551	0.941	0.907
Compound_128	ClP(=O)(C=Cc1ccccc1)Cl	0.78	0.398	0.915	0.813	0.458	0.247	0.998	0.951	0.954	0.999	0.647
Compound_129	CC1COC2(O1)CCCCC2	0.854	0.329	0.168	0.475	0.141	0.23	0.994	0.914	0.362	0.973	0.639
Compound_130	Oc1c(ccc2c1cccc2S(=O)(=O)[O-])N=Nc1cccc2c1cccc2	0.886	0.528	0.968	0.616	0.812	0.745	0.909	0.989	0.485	0.706	0.17
Compound_131	Nc1ccc(cc1)C1CCCCC1	0.907	0.332	0.583	0.531	0.489	0.931	0.933	0.744	0.872	0.996	0.533
Compound_132	COc1cc(N(=O)=O)c(cc1N)S(=O)(=O)O	0.477	0.304	0.981	0.377	0.461	0.627	0.76	0.907	0.393	0.036	0.446
Compound_133	Nc1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1	0.402	0.377	0.95	0.415	0.564	0.617	0.535	0.28	0.48	0.038	0.655
Compound_134	CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C	0.951	1.0	0.831	0.943	0.139	0.123	0.135	0.265	0.212	0.099	0.081
Compound_135	OC(=O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ncn(c1)S(=O)(=O)c1cccc2c1cccc2N(C)C	0.352	0.489	0.359	0.264	0.47	0.709	0.995	0.631	0.195	0.89	0.375
Compound_136	CO[Si](OC)(C)C	0.912	0.034	0.294	0.523	0.164	0.101	0.975	0.616	0.885	0.973	0.877
Compound_137	CCC(NC(=NC#N)N)(C)C	0.039	0.083	0.113	0.394	0.012	0.066	0.007	0.366	0.441	0.036	0.118
Compound_138	CCC(B(C(CC)C)C(CC)C)C	0.824	0.096	0.232	0.502	0.594	0.811	0.981	0.489	0.826	1.0	0.659
Compound_139	O=C1C=C(Nc2ccc(c(c2)C)Nc2ccc(cc2S(=O)(=O)[O-])N(=O)=O)C(=O)C(=C1Nc1ccc(c(c1)C)Nc1ccc(cc1S(=O)(=O)[O-])N(=O)=O)C	0.351	0.531	0.863	0.597	0.734	0.692	0.485	0.989	0.437	0.914	0.422
Compound_140	C[N+](c1ccccc1)(Cc1ccccc1)C	0.723	0.644	0.362	0.483	0.228	0.734	0.123	0.289	0.281	0.174	0.291
Compound_141	CCC([NH2+]CCOC(=O)C(=C)C)CC	0.026	0.175	0.066	0.54	0.23	0.008	0.001	0.783	0.636	0.844	0.795
Compound_142	CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1	0.549	0.579	0.764	0.363	0.59	0.644	0.372	0.098	0.404	0.129	0.368
Compound_143	CCOC(=O)C(NC(=O)C)C#N	0.06	0.125	0.265	0.323	0.138	0.006	0.0	0.126	0.409	0.103	0.584
Compound_144	N1CCC(CC1)N1CCCC1	0.046	0.233	0.003	0.141	0.012	0.048	0.0	0.242	0.307	0.026	0.037
Compound_145	CCC(=O)C(CC)O	0.714	0.045	0.031	0.473	0.014	0.038	0.959	0.12	0.032	0.421	0.342
Compound_146	Cc1ccc(c(c1)S(=O)(=O)O)Nc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N	0.449	0.375	0.914	0.424	0.697	0.652	0.992	0.89	0.42	0.818	0.465
Compound_147	CCCOC(=O)N(O)C	0.419	0.111	0.083	0.656	0.05	0.083	0.217	0.439	0.233	0.151	0.699
Compound_148	CCCCC(=C)C	0.95	0.115	0.677	0.59	0.061	0.002	0.979	0.994	0.945	0.999	0.962
Compound_149	CCOC=Nc1ccccc1	0.796	0.467	0.964	0.616	0.171	0.514	0.979	0.259	0.354	0.863	0.711
Compound_150	OC(=O)CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12	0.934	1.0	0.027	0.503	0.954	0.873	0.029	0.848	0.457	0.979	0.067
Compound_151	BrC(C(C(=O)O)Br)c1ccccc1	0.459	0.092	0.053	0.486	0.814	0.464	0.995	0.968	0.334	0.259	0.592
Compound_152	CCOC(=O)C(=Cc1c[nH]c2c1cccc2)C#N	0.789	0.637	0.954	0.636	0.565	0.621	0.015	0.935	0.562	0.413	0.988
Compound_153	CCCCN(CC(CO)O)CCCC	0.048	0.126	0.041	0.109	0.05	0.04	0.005	0.016	0.138	0.172	0.053
Compound_154	CCC(N(=O)=O)CS(=O)(=O)[O-]	0.369	0.12	0.397	0.366	0.035	0.225	0.512	0.955	0.425	0.554	0.451
Compound_155	[O-]CCC	0.811	0.06	0.294	0.572	0.028	0.022	0.995	0.564	0.601	0.975	0.9
Compound_156	C=CC[N+](C)(C)C	0.319	0.276	0.181	0.646	0.085	0.009	0.038	0.989	0.03	0.282	0.212
Compound_157	CCC(c1ccccc1)C(=O)OC(=O)C(c1ccccc1)CC	0.272	0.598	0.243	0.539	0.281	0.164	0.993	0.684	0.247	0.115	0.777
Compound_158	c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.555	0.54	0.583	0.561	0.984	0.636	0.999	0.82	0.892	0.995	0.825
Compound_159	CCOC(=O)Cc1ccc(cc1)C(=O)C	0.398	0.135	0.642	0.615	0.047	0.33	0.982	0.625	0.318	0.674	0.716
Compound_160	CC1C(C)(C)c2c(C1(C)C)cc(cc2)C(=O)C	0.774	0.339	0.362	0.564	0.14	0.674	0.064	0.127	0.888	0.992	0.856
Compound_161	SCC(CS)S	0.547	0.395	0.051	0.388	0.184	0.201	0.978	0.035	0.924	0.993	0.437
Compound_162	N#CC(c1ccc(cc1Cl)N)c1ccccc1	0.721	0.679	0.696	0.547	0.95	0.744	0.997	0.985	0.908	0.999	0.971
Compound_163	CCC12CCCN(C2)CCc2c(CC1)[nH]c1c2cccc1	0.168	0.582	0.155	0.229	0.525	0.668	0.036	0.074	0.719	0.283	0.343
Compound_164	CC1CC(C(C1)C)C	0.969	0.188	0.232	0.425	0.152	0.074	0.816	0.526	0.756	0.996	0.598
Compound_165	COc1cc(N(=O)=O)c(cc1OC)C(=O)O	0.654	0.286	0.291	0.346	0.548	0.546	0.969	0.789	0.419	0.818	0.883
Compound_166	Clc1cc(N=Nc2c(C)nn(c2O)c2ccccc2)c(c(c1)S(=O)(=O)[O-])O	0.698	0.439	0.126	0.478	0.717	0.652	0.382	0.818	0.494	0.841	0.283
Compound_167	CC(=CCc1c(C)cc(c2c1cc1c(c2O)C(=O)C=C(C1(CC=C(C)C)CC=C(C)C)O)O)C	0.538	0.589	0.523	0.639	0.888	1.0	0.861	0.993	0.677	0.99	0.888
Compound_168	CCCCCCCCCCCCCCCCCCNC(=O)C=C	0.361	0.06	0.076	0.469	0.144	0.499	0.697	0.96	0.818	0.963	0.434
Compound_169	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C)C)C	0.973	0.99	0.307	0.728	0.99	0.779	0.213	0.852	0.417	0.999	0.133
Compound_170	CC(=O)OC=CC=C	0.747	0.064	0.699	0.668	0.29	0.027	0.999	0.999	0.967	0.998	0.834
Compound_171	CCn1ccc(=Cc2cc[n+](c3c2cccc3)CC)c2c1cccc2	0.607	0.711	0.783	0.681	0.552	0.7	0.292	0.968	0.869	0.372	0.883
Compound_172	CC(=O)C(=Cc1ccco1)C(=O)C	0.67	0.354	0.764	0.529	0.039	0.43	0.788	0.965	0.55	0.936	0.985
Compound_173	O=CC1C2C1CC=C2	0.874	0.422	0.306	0.548	0.297	0.141	0.995	0.717	0.619	0.999	0.837
Compound_174	CCCC[Sn](OC(=O)CCCCCCC)(OC(=O)CCCCCCC)CCCC	0.856	0.039	0.202	0.538	0.861	0.877	0.996	0.954	0.213	0.956	0.74
Compound_175	CN(c1ccc(cc1)P(O)O)C	0.875	0.336	0.741	0.502	0.5	0.087	0.973	0.209	0.897	0.915	0.587
Compound_176	CCCCCCCCCCC(O)C	0.928	0.036	0.059	0.562	0.067	0.044	0.92	0.525	0.36	0.972	0.523
Compound_177	CCCCCCCCC(CCC)O	0.928	0.036	0.059	0.567	0.067	0.044	0.92	0.622	0.651	0.972	0.523
Compound_178	CCN(c1ccc(cc1)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)[O-])Cc1ccccc1	0.505	0.498	0.927	0.564	0.71	0.661	0.912	0.985	0.411	0.974	0.253
Compound_179	Nc1cc2Nc3cc(N)c(cc3Cc2cc1C)C	0.482	0.754	0.977	0.512	0.529	0.598	0.855	0.852	0.947	0.233	0.673
Compound_180	CCCCN=CCCC	0.268	0.101	0.472	0.528	0.062	0.063	0.161	0.493	0.403	0.955	0.679
Compound_181	O=c1[nH][nH]c(c1)c1ccccc1	0.527	0.439	0.825	0.686	0.095	0.186	0.886	0.291	0.449	0.023	0.37
Compound_182	CCCCCCCCC(C(CCCCCCCC(=O)OC)O)O	0.708	0.114	0.078	0.583	0.124	0.138	0.894	0.84	0.205	0.648	0.126
Compound_183	CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]	0.815	0.295	0.04	0.15	0.256	0.213	0.986	0.642	0.903	0.442	0.71
Compound_184	CCN(CCOC(=O)C(c1cccs1)(C1CCCC1)O)CC	0.189	0.429	0.009	0.142	0.329	0.471	0.456	0.433	0.191	0.002	0.189
Compound_185	CCO[Si](OCC)(OCC)C	0.896	0.021	0.816	0.514	0.037	0.095	0.959	0.163	0.461	0.986	0.734
Compound_186	O=C(OC(=O)CCCCC(=O)O)CCCCC(=O)O	0.263	0.053	0.089	0.18	0.111	0.06	0.03	0.297	0.281	0.124	0.188
Compound_187	CC(c1ccccc1)Oc1ccccc1	0.389	0.689	0.647	0.635	0.371	0.45	0.911	0.146	0.566	0.993	0.792
Compound_188	CC[NH+]1C(C=CNc2ccccc2)N(c2c1cc(Cl)c(c2)Cl)CC	0.262	0.628	0.961	0.464	0.494	0.617	0.369	0.927	0.683	0.418	0.401
Compound_189	BrCCCCOC(=O)C	0.792	0.024	0.167	0.756	0.188	0.048	0.998	0.993	0.8	0.994	0.95
Compound_190	O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)(=O)c1ccccc1)c1ccccc1	0.453	0.406	0.283	0.407	0.773	0.824	0.016	0.031	0.405	0.015	0.212
Compound_191	O=C1OC(=O)c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)C(=O)OC2=O	0.924	0.391	0.991	0.686	0.856	0.319	0.95	0.795	0.571	0.178	0.973
Compound_192	C=CC[Si](CC=C)(C)C	0.878	0.269	0.328	0.668	0.371	0.253	0.986	0.979	0.372	0.993	0.475
Compound_193	CCCCCC(=O)C(CCCCC)O	0.857	0.032	0.035	0.533	0.023	0.061	0.932	0.291	0.077	0.91	0.315
Compound_194	NC(C(=O)N)CO	0.012	0.12	0.002	0.184	0.048	0.017	0.0	0.001	0.075	0.001	0.139
Compound_195	Cc1nn(c(c1N=Nc1ccc(c(c1)S(=O)(=O)[O-])c1ccc(cc1S(=O)(=O)[O-])N=Nc1c(C)nn(c1O)c1ccccc1)O)c1ccccc1	0.745	0.493	0.598	0.549	0.773	0.654	0.78	0.984	0.412	0.284	0.198
Compound_196	CC=Cc1ccccc1O	0.874	0.288	0.902	0.733	0.144	0.116	0.289	0.988	0.832	0.984	0.464
Compound_197	CC(O[Cl](=O)(=O)=O)(C)C	0.773	0.228	0.049	0.551	0.046	0.013	0.983	0.421	0.831	0.924	0.623
Compound_198	OCCOc1ccc(cc1)C(CC)(C)C	0.342	0.247	0.313	0.595	0.62	0.798	0.929	0.895	0.409	0.187	0.149
Compound_199	OC(=O)C(Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)N	0.314	0.59	0.183	0.376	0.715	0.688	0.512	0.172	0.1	0.01	0.5
Compound_200	O=C1OC(c2c1cccc2)Cl	0.757	0.17	0.899	0.664	0.355	0.4	0.997	0.948	0.493	0.979	0.543
Compound_201	Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)[O-]	0.705	0.544	0.982	0.565	0.864	0.776	0.956	0.991	0.485	0.756	0.128
Compound_202	CCCC[Sn+3]	0.94	0.192	0.309	0.578	0.743	0.845	0.992	0.989	0.938	0.997	0.681
Compound_203	O=C(Nc1ccccc1)CCCCCCCCC(=O)Nc1ccccc1	0.756	0.453	0.903	0.606	0.398	0.835	0.737	0.92	0.368	0.6	0.553
Compound_204	CCN(CC(O)C)CC(O)C	0.034	0.084	0.043	0.099	0.041	0.025	0.008	0.235	0.238	0.016	0.141
Compound_205	CCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br	0.476	0.474	0.55	0.686	0.965	0.805	1.0	0.958	0.946	0.999	0.653
Compound_206	CCCCCC(OC(=O)C)CC	0.935	0.021	0.061	0.54	0.137	0.063	0.996	0.466	0.823	0.999	0.843
Compound_207	Oc1ccc(c(c1)O)N=Nc1cc(Cl)ccc1O	0.952	0.794	0.863	0.674	0.872	0.638	0.985	0.582	0.852	0.965	0.968
Compound_208	CCC=CCCC(=O)CCC(=O)C	0.986	0.017	0.171	0.538	0.29	0.042	0.987	0.388	0.577	1.0	0.972
Compound_209	Oc1ccc(c(c1)O)N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O	0.761	0.44	0.991	0.606	0.737	0.68	0.971	0.91	0.493	0.48	0.217
Compound_210	COc1c(O)cc(cc1O)C(=O)O	0.727	0.169	0.098	0.36	0.737	0.059	0.726	0.079	0.637	0.41	0.081
Compound_211	CC(N(C)C)CC(c1ccccc1)(c1ccccc1)O	0.054	0.437	0.16	0.142	0.086	0.357	0.0	0.205	0.113	0.005	0.207
Compound_212	C[n+]1c2ccccc2sc1S(=O)(=O)[O-]	0.603	0.38	0.877	0.539	0.322	0.46	0.051	0.945	0.55	0.668	0.327
Compound_213	Cc1ccc(cc1)C(=O)OCC1OC(CC1OC(=O)c1ccc(cc1)C)Cl	0.664	0.589	0.859	0.679	0.783	0.848	0.774	0.835	0.458	0.474	0.888
Compound_214	S=C1NC(C(=O)N1c1ccccc1)C	0.568	0.373	0.261	0.293	0.075	0.474	0.005	0.054	0.385	0.52	0.218
Compound_215	CC[n+]1c(c2ccccc2)c2cc(NN=Nc3cccc(c3)C(=N)N)ccc2c2c1cc(N)cc2	0.643	0.74	0.998	0.765	0.926	0.813	0.76	0.912	0.759	0.076	0.423
Compound_216	COc1cc2CCN(C3c2c(c1O)C1(C=CC(=O)C=C1)C3)C	0.539	0.735	0.197	0.305	0.351	0.55	0.021	0.895	0.653	0.005	0.17
Compound_217	CCCC[Sn](SC(=S)N(CCCC)CCCC)(SC(=S)N(CCCC)CCCC)CCCC	0.456	0.271	0.128	0.529	0.669	0.994	0.963	0.917	0.946	0.991	0.674
Compound_218	CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1	0.582	0.543	0.871	0.472	0.811	0.456	0.996	0.192	0.492	0.994	0.693
Compound_219	CC(c1cccc2c1cccc2)O	0.334	0.689	0.691	0.477	0.099	0.203	0.612	0.128	0.804	0.981	0.909
Compound_220	ClCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	0.945	0.597	0.662	0.666	0.999	0.948	0.999	0.962	0.951	0.893	0.717
Compound_221	OC1C(OC(C(C1O)O)C)Oc1ccc(cc1)N(=O)=O	0.533	0.597	0.061	0.468	0.695	0.674	0.034	0.087	0.222	0.914	0.809
Compound_222	COCCOC(=O)C=CC(=O)OCCOC	0.968	0.062	0.627	0.732	0.843	0.565	0.998	0.995	0.912	0.978	0.82
Compound_223	O=c1c2cc(ccc2sc2c1cccc2)C(C)(C)C	0.809	0.679	0.951	0.63	0.695	0.932	0.972	0.95	0.927	0.996	0.867
Compound_224	CC(=O)OCC1CO1	0.841	0.134	0.312	0.686	0.29	0.056	0.897	0.445	0.959	0.98	0.787
Compound_225	O=N(=O)c1ccc(cc1)C1OC1	0.596	0.382	0.909	0.558	0.551	0.54	0.996	0.678	0.498	0.988	0.835
Compound_226	O=C1C(C2C(C1(C)CC2)(C)C)S(=O)(=O)[O-]	0.844	0.632	0.084	0.313	0.174	0.633	0.056	0.529	0.356	0.548	0.227
Compound_227	COC(=O)C1=CC2(CC)CCCN3C2c2n1c1ccccc1c2CC3	0.57	0.727	0.191	0.277	0.841	0.609	0.385	0.06	0.389	0.043	0.817
Compound_228	N#CCC=CCC#N	0.912	0.283	0.183	0.602	0.334	0.015	0.993	0.936	0.802	0.98	0.897
Compound_229	CC1CCC=C1	0.915	0.233	0.372	0.619	0.235	0.005	0.973	0.791	0.844	0.99	0.704
Compound_230	O=C1CCCC1C	0.913	0.225	0.239	0.463	0.02	0.015	0.897	0.103	0.233	0.982	0.704
Compound_231	Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(cc1S(=O)(=O)[O-])cc(c(c2N)N=Nc1ccc(cc1)N(=O)=O)S(=O)(=O)[O-]	0.922	0.423	1.0	0.703	0.738	0.731	0.882	0.998	0.459	0.199	0.378
Compound_232	N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.59	0.534	0.408	0.586	0.98	0.796	0.999	0.853	0.929	0.479	0.865
Compound_233	Oc1c2ccc(cc2cc(c1N=Nc1ccccc1)S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)[O-]	0.874	0.453	0.994	0.697	0.854	0.74	0.809	0.998	0.519	0.41	0.181
Compound_234	OCN1C(=O)N(C2C1NC(=O)N2CO)CO	0.083	0.367	0.018	0.262	0.054	0.086	0.0	0.064	0.361	0.033	0.634
Compound_235	BrCCC=CCC	0.93	0.061	0.212	0.667	0.289	0.019	0.997	0.954	0.84	1.0	0.936
Compound_236	CCOc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)c(cc1Cl)Cl	0.847	0.787	0.972	0.761	0.679	0.734	0.976	0.978	0.445	0.975	0.899
Compound_237	CCCCCCCCCCCCCCCCC(c1cc(C)cc(c1O)C(CCCCCCCCCCCCCCCC)C)C	0.78	0.307	0.145	0.598	0.372	0.948	0.075	0.893	0.942	0.993	0.832
Compound_238	CCC(C(=O)OC(=O)C(CC)C)C	0.64	0.017	0.622	0.516	0.075	0.005	0.961	0.834	0.527	0.546	0.764
Compound_239	O=C(C(F)(F)F)CC(=O)C(F)(F)F	0.94	0.068	0.298	0.655	0.228	0.171	0.955	0.981	0.475	0.747	0.979
Compound_240	CC(=O)Oc1ccc2c(c1)cccc2	0.755	0.753	0.871	0.727	0.749	0.108	0.992	0.814	0.751	0.979	0.665
Compound_241	CCCCC(CCCC)(CCCC)[Sn]	0.979	0.159	0.309	0.589	0.864	0.924	0.988	0.987	0.942	0.999	0.689
Compound_242	OCC(CN1CCCCC1)O	0.081	0.171	0.054	0.074	0.037	0.078	0.003	0.017	0.096	0.024	0.008
Compound_243	Cc1cc(on1)C(=O)O	0.295	0.211	0.608	0.288	0.451	0.187	0.915	0.215	0.709	0.133	0.5
Compound_244	OC(=O)C(C(OP(=O)(O)O)C)N	0.05	0.157	0.003	0.124	0.051	0.019	0.002	0.002	0.075	0.005	0.108
Compound_245	ClCC(OP(=O)(OC(CBr)CCl)OC(CBr)CCl)CBr	0.936	0.544	0.577	0.67	0.349	0.274	0.998	1.0	0.369	0.987	0.902
Compound_246	CC(SSSSSSC(C)(C)C)(C)C	0.819	0.056	0.174	0.486	0.397	0.386	0.965	0.658	0.897	0.999	0.663
Compound_247	CC1=NN(C(=O)C1N=Nc1ccccc1O)c1ccccc1	0.513	0.635	0.929	0.697	0.424	0.534	0.083	0.557	0.402	0.696	0.285
Compound_248	COc1c2C=[N+](C)CCc2cc2c1OCO2	0.337	0.636	0.463	0.543	0.053	0.266	0.016	0.176	0.549	0.014	0.527
Compound_249	COc1ccc(cc1S(=O)(=O)[O-])C=O	0.659	0.462	0.264	0.392	0.179	0.562	0.812	0.416	0.408	0.297	0.112
Compound_250	CC(c1nc(N)nc(n1)N)C	0.374	0.17	0.585	0.521	0.04	0.068	0.004	0.168	0.832	0.053	0.125
Compound_251	CCCCCCC(C(=O)OCC)C(=O)OCC	0.922	0.003	0.38	0.712	0.099	0.039	0.988	0.645	0.247	0.98	0.901
Compound_252	O=C1OC(c2c1cccc2)c1ccccc1	0.829	0.612	0.852	0.546	0.354	0.492	0.996	0.032	0.454	0.814	0.712
Compound_253	CCC(C(Br)C)Br	0.92	0.234	0.493	0.647	0.196	0.051	0.995	0.985	0.811	0.999	0.856
Compound_254	CC1CCOCO1	0.754	0.191	0.232	0.494	0.019	0.021	0.913	0.521	0.511	0.886	0.457
Compound_255	CCCCC(C(=NO)C(C(CCCC)CC)O)CC	0.784	0.172	0.274	0.553	0.137	0.451	0.935	0.212	0.417	0.917	0.828
Compound_256	CCC(C)[O-]	0.832	0.103	0.231	0.564	0.025	0.01	0.99	0.763	0.525	0.985	0.934
Compound_257	CC[Si](OCC)(OCC)CC	0.926	0.038	0.487	0.499	0.062	0.11	0.972	0.272	0.461	0.998	0.928
Compound_258	O1CCN(CC1)c1nnns1	0.073	0.494	0.336	0.444	0.016	0.499	0.003	0.083	0.449	0.071	0.219
Compound_259	C=CP(C=C)C=C	0.731	0.182	0.504	0.634	0.848	0.353	0.949	0.988	0.906	0.999	0.858
Compound_260	O=C1CCC2(C(C1)CCC1C2C(=O)CC2(C1CCC2(O)C(=O)COC(=O)C)C)C	0.674	0.897	0.013	0.624	0.059	0.201	0.116	0.14	0.232	0.02	0.518
Compound_261	O=C(C(=O)CC(=O)C)CC(=O)C	0.963	0.075	0.095	0.485	0.072	0.121	0.995	0.222	0.439	0.699	0.791
Compound_262	O=C=N[Si](C)(C)C	0.842	0.119	0.106	0.507	0.134	0.2	0.525	0.628	0.869	0.522	0.442
Compound_263	CCCCCCCCCC(CCCCC)O	0.928	0.036	0.059	0.567	0.063	0.099	0.898	0.622	0.586	0.972	0.523
Compound_264	Cc1ccc(cc1)S(=O)(=O)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1)S(=O)(=O)[O-]	0.527	0.398	0.815	0.34	0.727	0.779	0.899	0.961	0.412	0.542	0.259
Compound_265	CC(=O)Nc1ccc(cc1)Nc1cc(c(c2c1cc1c(c2)cccc1S(=O)(=O)[O-])N)S(=O)(=O)[O-]	0.754	0.513	0.836	0.573	0.686	0.72	0.578	0.971	0.476	0.249	0.216
Compound_266	OC(=O)C1=C(C)OCCC1	0.594	0.249	0.051	0.234	0.3	0.075	0.91	0.277	0.457	0.656	0.176
Compound_267	C=CCOC(C(F)F)(F)F	0.98	0.089	0.796	0.687	0.746	0.169	0.998	0.996	0.474	0.998	0.972
Compound_268	CC(C1OC1)C	0.81	0.141	0.326	0.544	0.103	0.028	0.956	0.351	0.812	0.976	0.878
Compound_269	C=CP(=O)(Cl)Cl	0.801	0.247	0.739	0.734	0.605	0.212	0.947	0.999	0.879	1.0	0.721
Compound_270	C[SiH](O[Si](C)(C)C)C	0.805	0.085	0.057	0.496	0.151	0.465	0.936	0.828	0.903	0.997	0.514
Compound_271	CC(COP(OCC(Cl)C)OCC(Cl)C)Cl	0.865	0.238	0.399	0.651	0.201	0.044	1.0	0.988	0.727	0.995	0.699
Compound_272	CCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.727	0.099	0.991	0.935	0.445	0.995	0.15
Compound_273	O=C(c1ccccc1)Oc1c(C)occc1=O	0.614	0.647	0.812	0.511	0.017	0.435	0.981	0.219	0.826	0.404	0.259
Compound_274	ClCC(OC(CCl)O)O	0.833	0.148	0.1	0.645	0.044	0.093	0.912	0.945	0.823	0.169	0.764
Compound_275	CCCC(=O)OCC[N+](C)(C)C	0.049	0.303	0.035	0.698	0.06	0.005	0.019	0.065	0.109	0.041	0.187
Compound_276	CCCCCCCCC=CCCCCCCCC(=O)OCC(C1OC(=O)C(=C1O)O)O	0.951	0.525	0.212	0.683	0.292	0.564	0.569	0.856	0.228	0.942	0.645
Compound_277	Cl[Si](CC[Si](Cl)(Cl)Cl)(Cl)Cl	0.882	0.257	0.292	0.623	0.213	0.364	0.892	0.823	0.891	0.999	0.756
Compound_278	CCCCCCCCCCCCC(C(=O)O)O	0.692	0.095	0.034	0.21	0.047	0.035	0.849	0.625	0.033	0.775	0.041
Compound_279	CCOC(C(=NNC(=S)N)C=NNC(=S)N)C	0.392	0.162	0.944	0.401	0.118	0.211	0.014	0.083	0.415	0.576	0.426
Compound_280	O=C(Nc1ccc(c(c1)C)N=Nc1ccc(c(c1)C)N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-])Nc1ccc(c(c1)C)N=Nc1ccc(c(c1)C)N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.719	0.455	0.992	0.583	0.779	0.696	0.232	0.974	0.406	0.482	0.175
Compound_281	OCCC(c1ccccc1)(c1ccccc1)[NH+]1CCCCC1	0.086	0.348	0.153	0.487	0.013	0.487	0.009	0.368	0.311	0.011	0.273
Compound_282	CCOc1cc(N=Nc2ccc(cc2)NC(=O)c2ccc(cc2)N=Nc2ccc(c(c2)C(=O)[O-])O)c2c(c1N=Nc1c(O)c3c(NC(=O)C)cc(cc3cc1S(=O)(=O)[O-])S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.659	0.52	0.981	0.566	0.74	0.684	0.99	0.721	0.409	0.227	0.201
Compound_283	CC(=O)CC1CCCCN1	0.1	0.184	0.018	0.223	0.004	0.027	0.002	0.009	0.467	0.018	0.017
Compound_284	c1ccc(cc1)c1ccnc(c1)c1nccc(c1)c1ccccc1	0.743	0.719	0.961	0.804	0.422	0.9	0.605	0.563	0.845	0.49	0.965
Compound_285	COC1CC(OC2CC3=CCC4C(C3(CC2O)C)C(=O)C2C3(C4C(=O)CC3C(O2)C)C)OC(C1O)C	0.763	0.96	0.006	0.639	0.113	0.499	0.095	0.939	0.459	0.634	0.566
Compound_286	CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC(=C3C(C1CC2)(C)CCC(C3)OC(=O)C)C)C	0.936	0.98	0.006	0.439	0.951	0.742	0.59	0.643	0.824	0.996	0.448
Compound_287	CC(=O)P(=O)(O)O	0.645	0.094	0.069	0.271	0.145	0.03	0.328	0.01	0.856	0.19	0.327
Compound_288	COc1cc(ccc1N=NC1C(=NN(C1=O)c1ccc(cc1)C)C)c1ccc(c(c1)OC)N=NC1C(=NN(C1=O)c1ccc(cc1)C)C	0.484	0.705	0.992	0.771	0.679	0.697	0.964	0.667	0.413	0.864	0.526
Compound_289	COc1cc(C)c(c(c1)C)O	0.563	0.104	0.482	0.653	0.22	0.027	0.416	0.017	0.827	0.848	0.652
Compound_290	CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC	0.579	0.682	0.036	0.55	0.035	0.671	0.164	0.442	0.88	0.067	0.754
Compound_291	CC(CC(C1CCC(CC1)C)(C)C)O	0.936	0.178	0.122	0.502	0.148	0.074	0.324	0.255	0.305	0.868	0.379
Compound_292	O=C(c1ccccc1N)OCC1COC(O1)(C)C	0.11	0.467	0.952	0.589	0.126	0.499	0.963	0.056	0.454	0.014	0.722
Compound_293	CCO[Si](O[Si](O[Si](OCC)(OCC)OCC)(OCC)OCC)(O[Si](O[Si](OCC)(OCC)OCC)(OCC)OCC)OCC	0.839	0.084	0.741	0.524	0.5	0.531	0.982	0.152	0.461	0.989	0.649
Compound_294	CC1CCOC(=O)C1	0.749	0.218	0.194	0.583	0.032	0.009	0.973	0.674	0.474	0.942	0.144
Compound_295	CCC(=O)OC1(C(=O)C)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.946	1.0	0.559	1.0	0.706	0.945	0.091	0.797	0.288	0.745	0.059
Compound_296	O=COC1CCCCC1	0.825	0.149	0.17	0.497	0.055	0.252	0.962	0.962	0.632	0.981	0.26
Compound_297	CCCCCCCCCC1OCCO1	0.954	0.27	0.218	0.578	0.09	0.219	0.999	0.938	0.425	0.999	0.804
Compound_298	C[Si](OS(=O)(=O)Cl)(C)C	0.852	0.279	0.057	0.639	0.25	0.158	0.972	0.994	0.471	0.989	0.551
Compound_299	OC1COCC1O	0.706	0.303	0.047	0.446	0.073	0.183	0.188	0.05	0.371	0.48	0.055
Compound_300	CCP(c1ccccc1)CC	0.727	0.283	0.309	0.514	0.77	0.441	0.999	0.6	0.901	0.997	0.458
Compound_301	OCC(CON(=O)=O)(CON(=O)=O)CON(=O)=O	0.74	0.136	0.043	0.458	0.06	0.199	0.037	0.946	0.413	0.094	0.309
Compound_302	COCC(=COC)C#N	0.991	0.169	0.441	0.539	0.454	0.061	0.973	0.956	0.629	0.864	0.964
Compound_303	O=N(=O)c1ccccc1S	0.985	0.147	0.823	0.586	0.521	0.318	0.998	0.995	0.707	0.999	0.929
Compound_304	ClCC(=O)C(C(=O)OC)Cl	0.86	0.062	0.062	0.511	0.144	0.071	1.0	0.686	0.718	0.231	0.925
Compound_305	Clc1nc(CNc2ccc(cc2)N=Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)N(=O)=O)nc(n1)Cl	0.855	0.508	0.999	0.439	0.756	0.686	0.598	0.935	0.46	0.209	0.5
Compound_306	OC1CCCC1C1CCCC1	0.928	0.138	0.034	0.461	0.255	0.087	0.745	0.225	0.232	0.781	0.242
Compound_307	OC(=O)CCCCCN1C(=O)C2C(C1=O)CC=CC2	0.282	0.473	0.064	0.136	0.162	0.23	0.054	0.025	0.291	0.513	0.055
Compound_308	O=C(NC1C(=O)N2C1S(=O)C(C2C(=O)O)(C)C)COc1ccccc1	0.219	0.404	0.277	0.309	0.43	0.157	0.014	0.08	0.165	0.147	0.276
Compound_309	OC(=O)c1ccccc1CCc1ccccc1	0.29	0.353	0.117	0.311	0.374	0.387	0.998	0.11	0.471	0.384	0.227
Compound_310	CCn1c(C)ncc1Cl	0.241	0.553	0.715	0.588	0.613	0.141	0.026	0.756	0.899	0.692	0.24
Compound_311	ClC(=C)c1ccccc1	0.976	0.507	0.763	0.655	0.084	0.147	0.999	0.969	0.935	0.999	0.54
Compound_312	COc1ccc(cc1)OC(=O)C	0.781	0.104	0.696	0.683	0.519	0.125	0.898	0.02	0.633	0.282	0.081
Compound_313	CCCCCc1ccccc1C=CC=O	0.816	0.217	0.726	0.617	0.098	0.185	0.951	0.852	0.967	0.999	0.816
Compound_314	CCC(C(c1ccccc1)C(=O)OC1CC[N+](CC1)(C)C)C	0.041	0.437	0.014	0.494	0.013	0.018	0.0	0.023	0.186	0.121	0.064
Compound_315	OCC(C(=O)O)NSc1ccccc1N(=O)=O	0.225	0.297	0.109	0.334	0.548	0.307	0.002	0.853	0.133	0.082	0.529
Compound_316	NC(=O)CC(C(=O)O)NSc1ccccc1N(=O)=O	0.163	0.208	0.035	0.252	0.565	0.291	0.01	0.531	0.294	0.055	0.402
Compound_317	CCOC(=O)C1(CC1C=C)C(=O)OCC	0.793	0.212	0.214	0.664	0.636	0.067	0.915	0.995	0.388	0.997	0.94
Compound_318	CCC(C(C(=O)O)NSc1ccccc1N(=O)=O)C	0.25	0.316	0.134	0.343	0.525	0.224	0.001	0.897	0.2	0.545	0.66
Compound_319	CC(=O)C1(C)CCOC1=O	0.608	0.377	0.194	0.583	0.12	0.159	0.983	0.203	0.511	0.01	0.859
Compound_320	CCOCCOCCOCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.97	1.0	0.897	0.99	0.73	0.941	0.31	0.072	0.377	0.843	0.061
Compound_321	CCCCCCCCCC[n+]1ccccc1	0.952	0.599	0.433	0.69	0.054	0.643	0.036	0.997	1.0	0.617	0.195
Compound_322	OCCn1cncc1	0.134	0.215	0.124	0.521	0.369	0.079	0.006	0.241	0.246	0.012	0.228
Compound_323	CCC1CCCCC1O	0.919	0.233	0.039	0.492	0.06	0.041	0.943	0.241	0.392	0.965	0.246
Compound_324	O=CN1CCCC1	0.32	0.296	0.277	0.488	0.015	0.417	0.049	0.79	0.511	0.647	0.25
Compound_325	CC(=O)OCCS(=O)(=O)CCOC(=O)C	0.422	0.028	0.142	0.632	0.135	0.06	0.909	0.721	0.48	0.959	0.257
Compound_326	CC1OC1(C)C=CC1OC1(C)C	0.968	0.199	0.163	0.589	0.945	0.226	0.911	0.984	0.794	1.0	0.952
Compound_327	C[Si](N1CCCCC1)(C)C	0.185	0.285	0.043	0.515	0.019	0.277	0.007	0.76	0.808	0.016	0.07
Compound_328	O=N(=O)c1cc(N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(c1)N(=O)=O)O	0.861	0.434	0.995	0.507	0.753	0.7	0.858	0.998	0.47	0.185	0.413
Compound_329	O=C1N(N=C(C1N)C(=O)O)c1ccc(cc1)S(=O)(=O)O	0.242	0.293	0.536	0.277	0.421	0.54	0.015	0.006	0.404	0.001	0.267
Compound_330	CCCCC#CC	0.879	0.147	0.309	0.563	0.057	0.681	0.992	0.989	0.835	0.998	0.704
Compound_331	CCCCCCCCC(CO)O	0.907	0.227	0.05	0.548	0.13	0.098	0.93	0.035	0.197	0.444	0.219
Compound_332	O=C1NC(OC1(C)C)(C)C	0.03	0.204	0.039	0.31	0.011	0.044	0.012	0.035	0.172	0.209	0.237
Compound_333	O=C(c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)Nc1cc2c(c3c1C(=O)c1ccccc1C3=O)[nH]c1c2cc(NC(=O)c2ccc3c(c2)C(=O)c2c(C3=O)cccc2)c2c1C(=O)c1c(C2=O)cccc1	0.683	0.736	0.93	0.619	0.783	0.656	0.985	0.896	0.625	0.688	0.988
Compound_334	CCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.948	0.96	0.307	0.728	0.957	0.878	0.013	0.816	0.217	1.0	0.387
Compound_335	C=C[Si](N[Si](C=C)(C)C)(C)C	0.751	0.085	0.607	0.602	0.159	0.461	0.679	0.995	0.892	0.901	0.491
Compound_336	CCn1c(=CC(=Cc2sc3c([n+]2CCCS(=O)(=O)[O-])cc(c(c3)C)C)C)sc2c1cccc2	0.751	0.659	0.709	0.601	0.578	0.82	0.944	0.984	0.401	0.414	0.495
Compound_337	CCC(NC)C	0.058	0.067	0.199	0.275	0.011	0.008	0.001	0.049	0.683	0.889	0.225
Compound_338	Cc1c(ccc(c1C)N=Nc1c(O)ccc2c1cccc2)N=Nc1cccc(c1C)C	0.905	0.857	0.93	0.713	0.952	0.84	0.809	0.988	0.679	0.998	0.914
Compound_339	CC(COc1ccccc1Cc1ccccc1)O	0.136	0.534	0.085	0.458	0.589	0.505	0.202	0.14	0.239	0.896	0.692
Compound_340	CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC	0.892	0.124	0.11	0.622	0.863	0.872	0.999	0.923	0.107	0.997	0.707
Compound_341	N#Cc1cc2ccccc2c2c1cccc2	0.993	0.681	0.961	0.671	0.905	0.343	0.998	0.991	0.922	0.998	0.991
Compound_342	O=c1ccc2c(c1)sc1c(n2)ccc(c1)N(C)C	0.557	0.673	0.982	0.59	0.674	0.903	0.735	0.888	0.917	0.352	0.736
Compound_343	CCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC	0.322	0.436	0.701	0.349	0.464	0.793	0.46	0.076	0.369	0.249	0.596
Compound_344	c1ccc(cc1)CC1OCC(O1)c1ccccc1	0.194	0.545	0.865	0.566	0.259	0.904	0.937	0.47	0.336	0.851	0.82
Compound_345	CO[Si](O[Si](OC)(OC)OC)(OC)OC	0.908	0.066	0.407	0.531	0.202	0.451	0.908	0.759	0.885	0.861	0.666
Compound_346	C1CCC2C(C1)NCC2	0.289	0.221	0.027	0.191	0.032	0.132	0.003	0.02	0.585	0.049	0.025
Compound_347	CCC(C(O)(C)C)C	0.666	0.032	0.256	0.5	0.039	0.006	0.611	0.196	0.464	0.818	0.651
Compound_348	CCC(=O)CC(c1ccccc1)(C)C	0.936	0.125	0.557	0.582	0.058	0.06	0.288	0.098	0.309	0.967	0.577
Compound_349	c1ccc(cc1)Nc1ccc2c(c1)[n+](c1ccccc1)c1c(n2)cc(c(c1)Nc1ccccc1)Nc1ccccc1	0.817	0.807	0.988	0.655	0.913	0.734	0.209	0.984	0.73	0.865	0.985
Compound_350	CC(=O)N1CSCC1C(=O)O	0.025	0.392	0.016	0.174	0.21	0.016	0.391	0.127	0.019	0.023	0.296
Compound_351	O=C1CCCC(=O)N1	0.039	0.209	0.069	0.285	0.005	0.096	0.084	0.127	0.581	0.347	0.044
Compound_352	CC1CC(=CC(=O)C1)C	0.969	0.273	0.359	0.611	0.068	0.027	0.335	0.962	0.615	0.998	0.801
Compound_353	Clc1cc(Cl)c2c(c1)C(=O)C(=C1Sc3c(C1=O)cc(c(c3Cl)Cl)Cl)N2	0.562	0.621	0.961	0.649	0.712	0.668	0.999	0.967	0.501	0.594	0.93
Compound_354	COC(=O)C(NC(c1ccccc1)C(=O)[O-])C=C	0.034	0.215	0.663	0.379	0.007	0.003	0.138	0.913	0.184	0.705	0.5
Compound_355	O=C1CCCCC1(C)C	0.943	0.169	0.315	0.502	0.053	0.033	0.876	0.625	0.34	0.993	0.541
Compound_356	CCCCCCC(C(C)C)O	0.929	0.058	0.046	0.553	0.061	0.026	0.902	0.403	0.406	0.978	0.614
Compound_357	O=C(C(c1cccc2c1cccc2)C)OCCN1CCN(CC1)CCOC(=O)C(c1cccc2c1cccc2)C	0.04	0.686	0.202	0.246	0.685	0.429	0.854	0.407	0.387	0.71	0.509
Compound_358	CCC(C1NC(=S)N(C1=O)c1ccccc1)C	0.472	0.397	0.128	0.387	0.08	0.551	0.002	0.017	0.469	0.538	0.176
Compound_359	C1CCC2(CC1)CCNCC2	0.3	0.305	0.04	0.408	0.042	0.151	0.0	0.053	0.458	0.015	0.036
Compound_360	O=C1CS(=O)(=O)c2c1cccc2	0.778	0.532	0.676	0.451	0.188	0.415	0.953	0.16	0.375	0.178	0.182
Compound_361	Oc1cccc2c1n(=O)ccc2	0.766	0.68	0.936	0.631	0.557	0.627	0.192	0.985	0.451	0.976	0.86
Compound_362	ON=Cc1ccc(cc1)N(=O)=O	0.823	0.291	0.904	0.549	0.205	0.122	0.966	0.969	0.603	0.981	0.773
Compound_363	Sc1cccs1	0.891	0.521	0.492	0.522	0.508	0.564	0.998	0.545	0.989	0.998	0.5
Compound_364	OC1=CC(=O)C=C(C1(C)C)O	0.796	0.318	0.259	0.578	0.257	0.195	0.592	0.386	0.773	0.831	0.31
Compound_365	CC(C#N)Cl	0.938	0.212	0.377	0.646	0.404	0.072	0.992	0.997	0.717	0.993	0.952
Compound_366	ClS(=O)(=O)c1ccc(cc1)c1ccccc1	0.972	0.636	0.868	0.835	0.534	0.262	0.939	0.753	0.714	0.985	0.5
Compound_367	CN([Si](N(C)C)(N(C)C)N(C)C)C	0.585	0.09	0.353	0.485	0.239	0.085	0.006	0.756	0.844	0.797	0.391
Compound_368	OC(=O)C1CCC1C(=O)O	0.315	0.1	0.067	0.167	0.23	0.565	0.362	0.392	0.339	0.028	0.183
Compound_369	O=C1N(SN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2	0.793	0.616	0.821	0.477	0.368	0.768	0.9	0.575	0.718	0.946	0.716
Compound_370	OC1COC(OC1)c1ccccc1	0.091	0.543	0.197	0.544	0.031	0.442	0.139	0.024	0.225	0.112	0.124
Compound_371	CC(CCCCCOC(=O)CCCOc1ccc(cc1Cl)Cl)C	0.824	0.233	0.968	0.767	0.364	0.308	0.786	0.944	0.447	0.998	0.336
Compound_372	CCCCCCCCC=CCCCCCCCC(=O)OCC(C(C(C(CO)O)O)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC	0.958	0.302	0.054	0.681	0.73	0.166	0.877	0.366	0.187	0.944	0.58
Compound_373	CCCCCC=C(O)C	0.896	0.129	0.136	0.532	0.238	0.029	0.785	0.92	0.763	0.925	0.807
Compound_374	CC(=O)c1cccc(c1C)C	0.795	0.058	0.82	0.51	0.02	0.061	0.409	0.231	0.945	0.989	0.644
Compound_375	CC(=Cc1ccccc1)C(=O)O	0.767	0.426	0.21	0.298	0.216	0.121	0.964	0.06	0.567	0.755	0.474
Compound_376	CC1(CCOCO1)c1ccccc1	0.495	0.575	0.778	0.607	0.048	0.297	0.259	0.658	0.608	0.592	0.693
Compound_377	CC(CC(OC(=O)CC(S(=O)(=O)[O-])C(=O)OC(CC(C)C)CC(C)C)CC(C)C)C	0.555	0.083	0.455	0.38	0.083	0.201	0.966	0.936	0.417	0.675	0.254
Compound_378	CC(=O)OCCC[Si](Cl)(Cl)C	0.882	0.21	0.41	0.742	0.132	0.268	0.999	0.966	0.908	0.772	0.698
Compound_379	CCCCCCC(CCOC(=O)C)O	0.864	0.09	0.022	0.67	0.121	0.059	0.894	0.346	0.754	0.842	0.279
Compound_380	CCCCCCCCC#COC(=O)OC	0.899	0.105	0.286	0.554	0.16	0.861	0.997	0.97	0.836	0.992	0.469
Compound_381	CC1CCCCC1(C)OC(=O)c1ccccc1C(=O)O	0.866	0.598	0.013	0.357	0.366	0.278	0.976	0.142	0.454	0.801	0.808
Compound_382	CC(=O)OC1CCC2C(C1C)CCC1C2C(=O)CC2(C1CC1C2(N=C(O1)C)C(=O)C)C	0.646	0.829	0.003	0.548	0.279	0.499	0.065	0.418	0.323	0.981	0.828
Compound_383	COc1ccccn1	0.701	0.135	0.776	0.512	0.008	0.036	0.017	0.131	0.907	0.722	0.176
Compound_384	CC(=C)C1CCC(C(C1)O)(C)O	0.917	0.49	0.027	0.528	0.357	0.069	0.406	0.736	0.363	0.872	0.617
Compound_385	NC(C(=O)NC(=O)C)Cc1ccc(cc1)O	0.099	0.253	0.11	0.469	0.052	0.2	0.001	0.028	0.563	0.002	0.005
Compound_386	CCCCC(C(=O)O[Sn](CCCC)(CCCC)CCCC)CC	0.863	0.124	0.039	0.589	0.828	0.823	0.996	0.875	0.188	0.997	0.707
Compound_387	O=CC1CCCCCCCCCCC1	0.972	0.103	0.277	0.488	0.07	0.322	0.985	0.79	0.582	1.0	0.505
Compound_388	C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.649	0.509	0.914	0.692	0.979	0.827	1.0	0.979	0.917	0.997	0.781
Compound_389	O=C1OCCC1Br	0.789	0.214	0.274	0.699	0.685	0.194	0.999	0.997	0.66	0.849	0.804
Compound_390	OC(=O)C=Cc1cccs1	0.818	0.456	0.439	0.343	0.335	0.6	0.995	0.815	0.943	0.373	0.314
Compound_391	C1CCC=CCCC=CC1	0.905	0.14	0.336	0.612	0.566	0.389	0.993	0.751	0.927	0.999	0.567
Compound_392	CN(CCCNc1cccc2c1cccc2)C	0.375	0.461	0.233	0.138	0.081	0.181	0.048	0.344	0.709	0.014	0.234
Compound_393	O=CC(C(C(C(OC(=O)C)COC1OC(C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.678	0.299	0.282	0.487	0.384	0.625	0.956	0.331	0.584	0.008	0.567
Compound_394	OCC1CC2CC1CC2	0.919	0.252	0.053	0.335	0.265	0.127	0.602	0.169	0.232	0.494	0.358
Compound_395	CSCCC(C(=O)O)NC(=O)OC(C)(C)C	0.014	0.08	0.014	0.196	0.259	0.033	0.004	0.369	0.358	0.013	0.148
Compound_396	Cc1c(NN=NC#N)cccc1Cl	0.567	0.317	0.903	0.6	0.721	0.645	0.988	0.956	0.802	0.735	0.633
Compound_397	CCC(=Cc1cccc(c1)N(=O)=O)C(=O)O	0.908	0.406	0.215	0.413	0.363	0.197	0.987	0.745	0.482	0.963	0.807
Compound_398	CC1OC1(C)C	0.863	0.168	0.057	0.51	0.136	0.053	0.9	0.801	0.653	0.999	0.866
Compound_399	ClCCC[Si](OCC)(OCC)OCC	0.959	0.158	0.561	0.687	0.353	0.174	1.0	0.977	0.029	0.991	0.85
Compound_400	Cn1c(=O)n(C)c2c(c1=O)n(cn2)CN1CCOCC1	0.167	0.484	0.107	0.114	0.124	0.133	0.0	0.058	0.217	0.009	0.161
Compound_401	NN=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1	0.58	0.719	0.907	0.421	0.888	0.985	0.987	0.017	0.459	0.466	0.932
Compound_402	ON=Cc1ccc2c(n1)cccc2	0.62	0.646	0.977	0.508	0.48	0.687	0.057	0.981	0.854	0.74	0.931
Compound_403	CCCCCCCCCCC(C(C(=O)O)(CCCCCCCCCC)CCCCCCCCCC)(C(=O)O)CCCCCCCCCC	0.765	0.039	0.137	0.198	0.289	0.085	0.716	0.213	0.828	0.675	0.485
Compound_404	CCCCCCCCC(C(=O)O)CC(=O)O	0.706	0.014	0.077	0.163	0.1	0.014	0.572	0.166	0.443	0.601	0.115
Compound_405	CCCCCCCCCCOC(=O)CCC(=O)O	0.714	0.019	0.124	0.359	0.171	0.1	0.627	0.589	0.662	0.825	0.537
Compound_406	CO[Si](CCCOC(=O)C(=C)C)(OC)OC	0.943	0.075	0.106	0.689	0.476	0.142	0.991	0.977	0.934	0.992	0.803
Compound_407	CC(=O)NC(C(=O)Nc1ccc(cc1)N(=O)=O)Cc1ccc(cc1)O	0.559	0.629	0.749	0.481	0.455	0.91	0.013	0.61	0.248	0.958	0.389
Compound_408	Cc1c(N)c(C)c(c(c1C)N)C	0.652	0.239	0.886	0.519	0.041	0.108	0.7	0.472	0.963	0.916	0.652
Compound_409	Nc1cccc2c1ccnc2	0.728	0.896	0.943	0.673	0.032	0.123	0.032	0.837	0.926	0.981	0.892
Compound_410	NNC(=O)C[n+]1ccccc1	0.153	0.243	0.914	0.384	0.035	0.333	0.015	0.498	0.68	0.006	0.238
Compound_411	O=C(C(C)C)OC(C1CCC(=CC1)C)(C)C	0.885	0.167	0.488	0.571	0.276	0.021	0.52	0.908	0.215	1.0	0.676
Compound_412	CCOC(=O)C(C(=O)OCC)(CCC#N)CCC#N	0.935	0.097	0.141	0.604	0.428	0.15	0.588	0.896	0.379	0.345	0.936
Compound_413	COC(=O)C1(C)CC1(Cl)Cl	0.821	0.279	0.483	0.684	0.228	0.223	0.998	0.991	0.285	0.927	0.756
Compound_414	OC(=O)C1(C)CC1(Cl)Cl	0.639	0.241	0.221	0.519	0.245	0.162	0.996	0.95	0.166	0.854	0.457
Compound_415	C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1	0.935	0.386	0.299	0.441	0.982	0.993	0.997	0.685	0.904	0.999	0.691
Compound_416	C[Si]([Si](C)(C)C)(C)C	0.862	0.142	0.428	0.507	0.21	0.523	0.929	0.792	0.933	0.997	0.358
Compound_417	CCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_418	Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl	0.993	0.446	0.975	0.644	0.791	0.733	0.995	0.956	0.968	1.0	0.967
Compound_419	OS(=O)(=O)CCCN1CCCCC1	0.209	0.281	0.011	0.102	0.071	0.268	0.014	0.025	0.335	0.086	0.364
Compound_420	Cl[Sn](c1ccccc1)(c1ccccc1)Cl	0.954	0.543	0.726	0.659	0.973	0.976	0.998	0.964	0.984	1.0	0.731
Compound_421	O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O	0.952	1.0	0.003	0.826	0.985	0.944	0.954	0.956	0.95	0.714	0.867
Compound_422	O=C1OCC(C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O	0.477	0.895	0.0	0.642	0.956	0.896	0.826	0.39	0.576	0.785	0.828
Compound_423	Clc1ccc2c(c1)ccc(c2)Cl	0.984	0.571	0.944	0.594	0.601	0.412	0.993	0.786	0.893	0.999	0.918
Compound_424	Fc1ccc(cc1)C(=O)c1ccc(cc1)Br	0.985	0.536	0.604	0.649	0.186	0.625	0.962	0.609	0.511	0.998	0.92
Compound_425	c1ccc(cc1)P(c1ccccc1)CP(c1ccccc1)c1ccccc1	0.4	0.487	0.55	0.488	0.973	0.533	0.999	0.808	0.928	0.995	0.848
Compound_426	CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	0.961	0.039	0.177	0.587	0.236	0.089	1.0	0.93	0.877	0.999	0.679
Compound_427	CC(=CCCC1=CCS(=O)(=O)C1)C	0.475	0.582	0.653	0.574	0.2	0.034	0.918	0.991	0.752	0.998	0.462
Compound_428	CC(C(C)C)S	0.69	0.082	0.046	0.469	0.084	0.064	0.991	0.029	0.908	0.999	0.777
Compound_429	Cl[SiH](c1ccccc1)c1ccccc1	0.875	0.451	0.763	0.636	0.376	0.523	0.999	0.964	0.984	1.0	0.72
Compound_430	CC(=O)OCCC[Si](Cl)(Cl)Cl	0.844	0.165	0.167	0.756	0.132	0.193	0.999	0.972	0.908	0.965	0.729
Compound_431	ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.548	0.496	0.656	0.686	0.979	0.531	0.999	0.969	0.996	0.996	0.85
Compound_432	CCC(OC)O	0.606	0.05	0.089	0.496	0.028	0.067	0.943	0.853	0.387	0.076	0.545
Compound_433	O=CC1=CCCCC1	0.958	0.377	0.777	0.609	0.083	0.358	0.991	0.949	0.78	1.0	0.894
Compound_434	Cc1c(O)ccc(c1C)O	0.877	0.137	0.741	0.68	0.475	0.029	0.725	0.976	0.734	0.895	0.483
Compound_435	Clc1c(Cl)c(Cl)c(c2c1cccc2Cl)Cl	0.988	0.446	0.978	0.61	0.775	0.728	0.995	0.838	0.954	1.0	0.967
Compound_436	Clc1c(Cl)cc2c(c1Cl)cccc2	0.993	0.446	0.993	0.648	0.618	0.316	0.995	0.99	0.986	1.0	0.967
Compound_437	CCCCCCCCCc1ccccc1OS(=O)(=O)O	0.602	0.393	0.222	0.248	0.244	0.431	0.84	0.121	0.552	0.988	0.252
Compound_438	CC(c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-])C	0.752	0.592	0.816	0.471	0.345	0.617	0.96	0.984	0.401	0.991	0.128
Compound_439	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(O)C)O	0.823	0.08	0.068	0.736	0.058	0.208	0.823	0.537	0.077	0.871	0.475
Compound_440	ClCc1c(Cl)cc(cc1Cl)Cl	0.941	0.108	0.797	0.704	0.758	0.535	0.995	0.982	0.817	0.998	0.385
Compound_441	OC(=O)CS(=O)(=O)c1ccccc1C(=O)O	0.306	0.334	0.049	0.226	0.251	0.327	0.254	0.019	0.404	0.038	0.105
Compound_442	O=C(C1CC2CC1C=C2)OCC1CC2CC1C=C2	0.792	0.398	0.036	0.643	0.777	0.469	0.885	0.903	0.243	0.999	0.893
Compound_443	Cc1cc(N)c(cc1N)Cl	0.863	0.259	0.96	0.556	0.193	0.303	0.999	0.959	0.922	0.948	0.474
Compound_444	CC[Si](OC)(OC)OC	0.9	0.039	0.171	0.496	0.028	0.087	0.975	0.802	0.823	0.892	0.736
Compound_445	Brc1ccc2c(c1Br)c(OS(=O)(=O)[O-])c1c3c2ccc2c3c(cc1)c1c(c2OS(=O)(=O)[O-])cccc1	0.941	0.708	0.986	0.574	0.664	0.632	0.868	0.979	0.591	0.992	0.465
Compound_446	O=c1c2ccc3c(c2c(=O)c2c1cccc2)[nH]c1c([nH]3)c2c(=O)c3cccc(c3c(=O)c2cc1)O	0.672	0.725	0.944	0.576	0.947	0.76	0.991	0.589	0.717	0.427	0.992
Compound_447	CCCCCCCCCCCCCCCC(=O)OC1CCCCC1	0.871	0.191	0.104	0.58	0.12	0.101	0.999	0.13	0.26	0.997	0.425
Compound_448	ClC(C(C(=O)O)N)c1ccccc1	0.107	0.142	0.037	0.345	0.095	0.085	0.012	0.425	0.101	0.01	0.44
Compound_449	CCOC(=O)N=NC(=O)OCC	0.613	0.085	0.791	0.758	0.034	0.038	0.452	0.989	0.246	0.778	0.641
Compound_450	CCCCCC(Br)C	0.968	0.13	0.396	0.694	0.208	0.031	0.998	0.997	0.879	1.0	0.894
Compound_451	N#N=NC1(C(=O)C)C(O)CC2C1(C)CC(=O)C1C2CCC2C1(C)CCC(C2)O	0.585	0.869	0.003	0.557	0.275	0.484	0.003	0.73	0.252	0.509	0.509
Compound_452	CCOP(=S)(c1ccccc1)Cl	0.778	0.387	0.908	0.679	0.319	0.048	0.999	0.971	0.496	0.996	0.625
Compound_453	CCCCCC1CC1C(=O)O	0.754	0.232	0.067	0.18	0.174	0.013	0.888	0.139	0.221	0.976	0.287
Compound_454	CC1CCC(=O)N1C	0.199	0.332	0.221	0.446	0.006	0.066	0.02	0.046	0.362	0.028	0.264
Compound_455	CC1=NN(C(=O)C1N=Nc1cc(ccc1S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)Cl)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-]	0.614	0.468	0.992	0.561	0.703	0.653	0.607	0.988	0.408	0.104	0.391
Compound_456	NC(=O)c1ccc[n+](c1)Cc1ccccc1	0.298	0.48	0.075	0.35	0.017	0.236	0.0	0.008	0.072	0.072	0.5
Compound_457	OCCNC(=O)c1ccccc1NC(=O)OCC	0.512	0.464	0.806	0.459	0.074	0.146	0.006	0.111	0.17	0.038	0.235
Compound_458	CC1=NN(C(=O)C1N=Nc1cc(ccc1O)S(=O)(=O)N)c1ccccc1	0.415	0.418	0.057	0.305	0.409	0.635	0.039	0.038	0.395	0.02	0.204
Compound_459	Clc1ccc(cc1)C(c1ccccc1)N	0.459	0.535	0.463	0.528	0.284	0.878	0.301	0.137	0.528	0.979	0.5
Compound_460	OCC(COc1c(Cl)cc(cc1Cl)Cl)O	0.293	0.184	0.089	0.571	0.135	0.209	0.611	0.073	0.439	0.885	0.39
Compound_461	OCC1OC(CC1O)n1cc(CO)c(=O)[nH]c1=O	0.551	0.183	0.002	0.217	0.164	0.118	0.027	0.009	0.086	0.055	0.868
Compound_462	Nc1nc(nc(n1)N)c1cccc(c1)c1nc(N)nc(n1)N	0.552	0.797	0.989	0.842	0.471	0.837	0.484	0.67	0.886	0.463	0.607
Compound_463	CCN(c1cccc(c1)S(=O)(=O)[O-])CC	0.641	0.458	0.693	0.425	0.296	0.517	0.869	0.955	0.305	0.788	0.31
Compound_464	C1C(C1c1ccccc1)c1ccccc1	0.427	0.612	0.463	0.51	0.386	0.231	0.986	0.69	0.389	0.996	0.931
Compound_465	CN(C(=O)N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)C	0.944	0.683	0.89	0.541	0.578	0.916	0.978	0.916	0.511	0.888	0.381
Compound_466	Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)OP(=O)([O-])[O-]	0.906	0.633	0.963	0.674	0.993	0.628	0.997	0.131	0.443	0.593	0.878
Compound_467	Oc1ccc(cc1N=Nc1c(O)ccc2c1cccc2)S(=O)(=O)[O-]	0.885	0.508	0.951	0.572	0.699	0.68	0.834	0.992	0.473	0.555	0.164
Compound_468	O1CC1CN(c1ccccc1)CC1OC1	0.623	0.545	0.826	0.539	0.905	0.356	0.713	0.969	0.695	0.986	0.924
Compound_469	CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2OC(=O)C)C)C1)C	0.968	1.0	0.049	0.773	0.976	0.907	0.056	0.968	0.632	0.999	0.15
Compound_470	Clc1ccc(c(c1)N)F	0.934	0.271	0.943	0.573	0.5	0.17	0.998	0.868	0.999	0.992	0.447
Compound_471	n1ccc(cc1)C=Cc1ccncc1	0.522	0.736	0.729	0.629	0.016	0.646	0.017	0.192	0.942	0.846	0.903
Compound_472	C(OB1OCCO1)COB1OCCO1	0.655	0.272	0.316	0.504	0.528	0.741	0.726	0.645	0.78	0.988	0.687
Compound_473	OP(=O)(Oc1cccc2c1cccc2)O	0.851	0.686	0.794	0.43	0.373	0.03	0.951	0.099	0.897	0.911	0.711
Compound_474	Brc1cc(Br)cc(c1OCC1OC1)Br	0.505	0.244	0.401	0.695	0.679	0.695	0.952	0.917	0.401	0.998	0.966
Compound_475	CCOC(=O)CC(N)C	0.084	0.111	0.2	0.507	0.019	0.009	0.004	0.021	0.28	0.069	0.268
Compound_476	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(c(c1)Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.873	0.711	0.998	0.764	0.868	0.73	0.888	0.989	0.482	0.988	0.905
Compound_477	C(CCCC[n+]1csc2c1cccc2)CCCCC[n+]1csc2c1cccc2	0.494	0.377	0.507	0.704	0.476	0.749	0.797	0.993	0.91	0.332	0.298
Compound_478	OCC1OC(Oc2ccccc2)C(C(C1O)O)O	0.257	0.366	0.099	0.437	0.268	0.221	0.107	0.065	0.542	0.278	0.127
Compound_479	COc1ccc(cc1)C=Cc1ccccc1	0.879	0.69	0.821	0.748	0.297	0.88	0.831	0.082	0.943	0.964	0.858
Compound_480	CC(COC(=O)C)CCC1C2CCC(C1(C)C)C2	0.943	0.411	0.038	0.575	0.584	0.154	0.776	0.494	0.71	0.99	0.39
Compound_481	CC(COc1ccc(cc1Cl)Cl)O	0.337	0.092	0.509	0.602	0.168	0.23	0.559	0.246	0.539	0.943	0.456
Compound_482	Cc1ccc2c(c1)ccc([n+]2C)C=c1ccn(c2c1cccc2)C	0.714	0.769	0.744	0.729	0.843	0.833	0.52	0.963	0.963	0.545	0.75
Compound_483	ClCCCN1c2cc(ccc2Sc2c1cccc2)C(F)(F)F	0.247	0.529	0.918	0.695	0.944	0.281	0.998	0.443	0.267	0.552	0.906
Compound_484	SC1CCCC1	0.773	0.246	0.061	0.505	0.149	0.242	0.973	0.363	0.835	0.994	0.305
Compound_485	CC1(Br)CNC(=O)NC1=O	0.171	0.24	0.169	0.303	0.466	0.137	0.0	0.773	0.496	0.051	0.228
Compound_486	CN(Cc1ccccc1Br)C	0.598	0.256	0.164	0.293	0.095	0.726	0.008	0.864	0.621	0.632	0.036
Compound_487	CCCC=C(C(=O)O)CC	0.592	0.094	0.055	0.235	0.358	0.011	0.977	0.607	0.529	0.955	0.717
Compound_488	CCC=NNc1ccccc1	0.812	0.391	0.655	0.563	0.201	0.369	0.251	0.659	0.549	0.612	0.408
Compound_489	Clc1c(Cl)cc2c(c1Cl)c(=O)c1c(c2=O)c2[nH]c3ccc4c(c3[nH]c2cc1)c(=O)c1c(c4=O)cccc1	0.664	0.679	0.993	0.5	0.807	0.674	0.997	0.754	0.519	0.611	0.995
Compound_490	CCCCCCCCCCCCc1ccc(c(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.548	0.595	0.741	0.55	0.718	0.662	0.978	0.989	0.5	0.745	0.412
Compound_491	Clc1ccc2c(c1Cl)C(=O)c1c3c2ccc2c3c(cc1)c1c3c2ccc2c3c(cc1)c1c(C2=O)cccc1	0.904	0.656	0.996	0.759	0.877	0.767	0.994	0.972	0.453	0.953	1.001
Compound_492	OS(=O)(=O)c1ccccc1Nc1ccc(cc1)C(=C1C=CC(=Nc2ccccc2)C=C1)c1ccc(cc1)Nc1ccccc1S(=O)(=O)O	0.472	0.481	0.934	0.568	0.958	0.72	0.87	0.858	0.478	0.243	0.118
Compound_493	Cc1cc(ccc1N)C(=C1C=CC(=Nc2ccc3c(c2S(=O)(=O)[O-])cccc3)C=C1)c1ccc(cc1)Nc1ccc2c(c1S(=O)(=O)[O-])cccc2	0.624	0.506	0.987	0.705	0.872	0.769	0.969	0.991	0.502	0.721	0.191
Compound_494	CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C	0.889	0.914	0.032	0.642	0.962	0.893	0.063	0.78	0.078	0.986	0.631
Compound_495	C=C1C=CC(=[N+](c2ccc(cc2)N)c2ccc(cc2)N)C=C1	0.433	0.718	0.975	0.736	0.739	0.968	0.854	0.999	0.937	0.995	0.977
Compound_496	FC(=C(OC(C(I)(F)F)(F)F)F)F	0.917	0.466	0.928	0.627	0.409	0.206	0.877	0.958	0.435	0.999	0.916
Compound_497	O=C1SCCC1N	0.1	0.43	0.044	0.436	0.073	0.016	0.008	0.015	0.098	0.026	0.152
Compound_498	CC1=CCC(O)C(=C)C2C(CC1)C(C2)(C)C	0.961	0.47	0.17	0.584	0.73	0.637	0.736	0.98	0.347	0.993	0.888
Compound_499	COC(=NC#N)c1ccccc1	0.679	0.288	0.122	0.539	0.025	0.073	0.823	0.055	0.883	0.372	0.394
Compound_500	OC1C(COS(=O)(=O)c2ccc(cc2)C)OC(C1O)n1cnc2c1ncnc2N	0.66	0.59	0.432	0.599	0.5	0.604	0.018	0.923	0.393	0.082	0.599
Compound_501	CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(CCCC)CC	0.871	0.003	0.121	0.705	0.079	0.061	0.997	0.317	0.345	0.997	0.915
Compound_502	CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)[O-])c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1)Cc1cccc(c1)S(=O)(=O)[O-]	0.743	0.473	0.715	0.673	0.945	0.876	0.932	0.999	0.356	0.968	0.337
Compound_503	CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C	0.878	0.446	0.052	0.604	0.941	0.197	0.987	0.063	0.301	0.997	0.821
Compound_504	Oc1ccc(cc1)C(c1ccccc1)C	0.917	0.683	0.71	0.647	0.835	0.896	0.986	0.792	0.389	0.938	0.624
Compound_505	CCCCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.945	0.96	0.307	0.728	0.947	0.887	0.013	0.816	0.113	1.0	0.387
Compound_506	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C=Cc1ccccc1)C)C	0.982	0.96	0.635	0.717	0.973	0.996	0.289	0.914	0.287	1.0	0.155
Compound_507	CCCC[Sn](OC(=O)c1ccncc1)(CCCC)CCCC	0.671	0.405	0.22	0.595	0.646	0.509	0.491	0.227	0.565	0.83	0.67
Compound_508	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O	0.922	0.135	0.033	0.551	0.266	0.149	0.99	0.008	0.183	0.806	0.28
Compound_509	FP(c1ccccc1)(c1ccccc1)(F)F	0.601	0.446	0.763	0.685	0.829	0.179	0.999	0.964	0.98	0.999	0.654
Compound_510	CCOC(=O)c1c(C)onc1c1ccccc1	0.63	0.486	0.991	0.786	0.564	0.645	0.611	0.768	0.604	0.023	0.904
Compound_511	SCC1NC(=O)OC1=O	0.019	0.311	0.107	0.372	0.143	0.079	0.011	0.211	0.31	0.014	0.494
Compound_512	CCC(C(c1ccccc1)(c1ccccc1)CC(NC)C)OC(=O)C	0.252	0.623	0.101	0.261	0.136	0.269	0.029	0.036	0.297	0.028	0.294
Compound_513	NC(=N)NCC(C(=O)O)N	0.003	0.156	0.028	0.182	0.033	0.139	0.0	0.019	0.038	0.001	0.054
Compound_514	ON=CCCC=NO	0.685	0.209	0.451	0.47	0.074	0.083	0.139	0.743	0.429	0.715	0.759
Compound_515	[O-]S(=O)(=O)c1cc(ccc1C=Cc1ccccc1)n1nc2c(n1)c1ccc(cc1cc2)S(=O)(=O)[O-]	0.765	0.493	0.974	0.512	0.7	0.704	0.802	0.965	0.486	0.13	0.273
Compound_516	O1CC1COc1nc(OCC2OC2)nc(n1)OCC1OC1	0.666	0.435	0.25	0.549	0.817	0.236	0.353	0.778	0.803	0.928	0.846
Compound_517	FC=CF	0.925	0.088	0.433	0.565	0.205	0.024	0.939	0.984	0.966	0.999	0.885
Compound_518	ClC([SiH2]CCCOC(C(F)F)(F)F)Cl	0.926	0.085	0.455	0.64	0.599	0.464	0.989	0.992	0.511	0.989	0.99
Compound_519	C[Si]1(C)O[Si](O[Si](O[Si](O1)(C)C)(C)C)(c1ccccc1)c1ccccc1	0.413	0.485	0.52	0.539	0.477	0.451	0.999	0.586	0.916	0.95	0.462
Compound_520	ClCC(=O)OCCC(C)C	0.89	0.026	0.665	0.736	0.149	0.013	0.998	0.954	0.36	0.998	0.93
Compound_521	NN=C(N(N)N)N	0.486	0.128	0.289	0.443	0.55	0.095	0.002	0.054	0.682	0.372	0.392
Compound_522	CCCC(=O)OCC(COC(=O)CCC)(C)C	0.769	0.001	0.303	0.686	0.082	0.029	0.961	0.655	0.409	0.963	0.869
Compound_523	COCCOCC	0.812	0.07	0.711	0.534	0.051	0.051	0.971	0.071	0.427	0.98	0.81
Compound_524	O=C(C(CSSCC(C(=O)Nc1ccc2c(c1)cccc2)N)N)Nc1ccc2c(c1)cccc2	0.492	0.458	0.974	0.565	0.938	0.943	0.805	0.635	0.55	0.958	0.585
Compound_525	CC=Nc1ccccc1	0.724	0.394	0.858	0.58	0.24	0.259	0.942	0.591	0.795	0.977	0.593
Compound_526	O=C1OC(=O)C2C1CC1C2C(=O)OC1=O	0.626	0.103	0.159	0.463	0.237	0.107	0.831	0.976	0.511	0.134	0.789
Compound_527	Nc1ccc(c(c1)N)N=Nc1cc(cc(c1O)N(=O)=O)S(=O)(=O)[O-]	0.882	0.356	0.951	0.553	0.623	0.668	0.157	0.999	0.511	0.081	0.383
Compound_528	COc1c(cc(cc1C(C)(C)C)N(=O)=O)N(=O)=O	0.784	0.21	0.827	0.703	0.753	0.89	0.912	0.844	0.919	0.714	0.92
Compound_529	ClC(=O)OCC1CCCCC1	0.888	0.08	0.152	0.638	0.161	0.13	0.987	0.984	0.779	0.998	0.795
Compound_530	Oc1ccc(c(c1N=Nc1ccc(cc1)c1nc2c(s1)cc(cc2)c1nc2c(s1)c(S(=O)(=O)[O-])c(cc2)C)O)N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.741	0.574	0.997	0.681	0.717	0.656	0.826	0.997	0.449	0.369	0.23
Compound_531	CN(c1c(C)cc(cc1C)O)C	0.557	0.359	0.942	0.589	0.336	0.141	0.174	0.633	0.849	0.691	0.58
Compound_532	CC(C(C(=O)O)Nc1ccc(cc1N(=O)=O)N(=O)=O)C	0.719	0.258	0.386	0.283	0.632	0.082	0.004	0.682	0.375	0.762	0.837
Compound_533	CSc1sc2c([n+]1C)ccc(c2)N(=O)=O	0.904	0.542	0.919	0.601	0.435	0.674	0.989	0.983	0.694	0.995	0.818
Compound_534	Cn1nnnc1C	0.535	0.314	0.26	0.412	0.042	0.162	0.002	0.396	0.89	0.444	0.328
Compound_535	COc1c(OC)cccc1O	0.921	0.132	0.641	0.669	0.715	0.021	0.952	0.025	0.886	0.675	0.298
Compound_536	O=C(N([Si](C)(C)C)c1ccccc1)Nc1ccccc1	0.772	0.63	0.944	0.541	0.692	0.6	0.679	0.269	0.424	0.392	0.287
Compound_537	O=C(OCc1ccccc1)NCCCCC(C(=O)O)N	0.045	0.22	0.056	0.21	0.012	0.156	0.004	0.137	0.321	0.018	0.141
Compound_538	CCN(CCC1(CCC(=O)NC1=O)c1ccccc1)CC	0.051	0.521	0.007	0.099	0.007	0.109	0.0	0.053	0.411	0.107	0.282
Compound_539	N#COc1ccc(cc1)C(c1ccc(cc1)OC#N)(C)C	0.808	0.64	0.654	0.691	0.753	0.941	0.874	0.762	0.714	0.101	0.693
Compound_540	C=CC=C(Cl)Cl	0.92	0.408	0.63	0.64	0.411	0.2	0.995	0.997	0.357	1.0	0.869
Compound_541	CCOC(=O)C=CCBr	0.961	0.117	0.791	0.799	0.585	0.175	1.0	0.998	0.758	0.999	0.973
Compound_542	CCCC(=O)OC1CC(C)CCC1C(C)C	0.899	0.268	0.084	0.48	0.14	0.012	0.757	0.135	0.414	0.998	0.426
Compound_543	O=C(CCc1ccco1)CCc1ccco1	0.625	0.428	0.479	0.49	0.103	0.396	0.993	0.906	0.371	0.933	0.964
Compound_544	CCC1CCCCN1	0.058	0.197	0.087	0.236	0.004	0.036	0.001	0.042	0.805	0.477	0.019
Compound_545	COC(=O)CC(O)C	0.565	0.034	0.05	0.536	0.059	0.009	0.492	0.935	0.241	0.016	0.199
Compound_546	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN(C)C)O	0.756	0.136	0.001	0.227	0.221	0.134	0.544	0.006	0.237	0.042	0.287
Compound_547	BrCCC=CC1CC1	0.935	0.141	0.208	0.716	0.405	0.055	0.994	0.893	0.792	0.999	0.971
Compound_548	CCOC(=O)C1CCCN(C1)C	0.097	0.32	0.062	0.211	0.011	0.024	0.009	0.026	0.267	0.162	0.097
Compound_549	Oc1c2ncnc2[nH]cn1=O	0.459	0.472	0.822	0.446	0.567	0.634	0.001	0.448	0.973	0.543	0.735
Compound_550	CCC(OOC(CCC(OOC(CC)(C)C)(C)C)(C)C)(C)C	0.937	0.025	0.044	0.518	0.093	0.098	0.997	0.679	0.635	0.933	0.768
Compound_551	OC(C(c1ccc(cc1)O)O)c1ccc(cc1)O	0.122	0.702	0.142	0.392	0.845	0.839	0.811	0.069	0.157	0.808	0.803
Compound_552	OC1CC2C(C1O)(C)CCC1C2CCc2c1ccc(c2)OC1CCCC1	0.849	0.924	0.009	0.45	0.973	0.879	0.233	0.791	0.063	0.974	0.83
Compound_553	CCCCC(COC(=O)c1ccccc1C(=O)OC1CCCCC1)CC	0.952	0.489	0.152	0.524	0.199	0.292	0.994	0.016	0.619	0.976	0.893
Compound_554	CCCCC(COB(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.846	0.029	0.097	0.529	0.536	0.755	1.0	0.381	0.624	0.999	0.681
Compound_555	CCCCCCCCCCCCOB(OCCCCCCCCCCCC)OCCCCCCCCCCCC	0.903	0.028	0.177	0.587	0.663	0.757	1.0	0.93	0.877	0.999	0.679
Compound_556	ClC(=O)c1cc(ccc1C(=O)Cl)C(=O)Cl	0.912	0.132	0.878	0.669	0.086	0.15	0.993	0.98	1.003	0.956	0.953
Compound_557	CCOC(=O)C(N=NC(C(=O)OCC)(C)C)(C)C	0.175	0.092	0.072	0.599	0.067	0.028	0.547	0.285	0.315	0.33	0.644
Compound_558	OC1CCC2(C(=CCC3C2CCC2(C3CC=C2C(=O)C)C)C1)C	0.985	1.0	0.034	0.839	0.913	0.771	0.038	0.986	0.063	0.999	0.25
Compound_559	CC(=O)OC1CCC2C1(C)CCC1C2CCC2=C(C(=O)CCC12)Cl	0.982	1.0	0.055	0.749	0.98	0.908	0.224	0.996	0.282	0.997	0.151
Compound_560	Oc1ccc(c(c1)O)C(=NNc1ccc(cc1N(=O)=O)N(=O)=O)C	0.921	0.721	0.906	0.627	0.839	0.637	0.836	0.821	0.525	0.98	0.981
Compound_561	N#CCCCN(CC)CC	0.214	0.307	0.03	0.098	0.173	0.08	0.011	0.288	0.534	0.96	0.858
Compound_562	O=CNC(C(=O)O)CC(C)C	0.005	0.025	0.191	0.17	0.021	0.007	0.002	0.225	0.183	0.009	0.012
Compound_563	CC(C(C(C)(C)C)O)C	0.719	0.051	0.054	0.454	0.087	0.044	0.591	0.107	0.482	0.846	0.785
Compound_564	O=C1NC(=O)CC1(C)c1ccccc1	0.135	0.32	0.148	0.339	0.026	0.075	0.118	0.07	0.559	0.003	0.105
Compound_565	c1ccc(cc1)c1ccc(cc1)OCC1OC1	0.337	0.665	0.812	0.747	0.878	0.854	0.995	0.978	0.857	0.973	0.94
Compound_566	NN=C(C(=NN)c1ccccc1)c1ccccc1	0.738	0.724	0.879	0.552	0.299	0.685	0.973	0.608	0.665	0.782	0.818
Compound_567	CC1=NN(C(=O)C1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.711	0.739	0.895	0.663	0.291	0.72	0.8	0.907	0.369	0.837	0.408
Compound_568	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C(C)C)C)C	0.968	0.97	0.307	0.726	0.946	0.881	0.015	0.922	0.133	1.0	0.104
Compound_569	O=CC(=CCC12OC(C3C42Oc2c(C(=O)C4=CC(C1=O)C3)c(O)c1c(c2CC=C(C)C)OC(C=C1)(C)C)(C)C)C	0.81	0.877	0.254	0.682	0.515	0.734	0.997	0.979	0.564	0.763	0.777
Compound_570	CCC(C(=O)C)CC	0.884	0.068	0.247	0.539	0.016	0.003	0.895	0.095	0.554	0.996	0.884
Compound_571	CCCCCC(C(=O)C)C	0.976	0.035	0.284	0.544	0.043	0.014	0.963	0.208	0.487	0.998	0.87
Compound_572	CCC(=O)C(CC)CC	0.933	0.033	0.232	0.521	0.039	0.01	0.836	0.074	0.152	0.998	0.921
Compound_573	CCCCCCCCC(=O)CCC	0.979	0.019	0.315	0.548	0.048	0.024	0.991	0.667	0.693	1.0	0.929
Compound_574	CNP(=S)(NC)NC	0.561	0.12	0.241	0.315	0.382	0.114	0.009	0.846	0.833	0.976	0.555
Compound_575	CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.978	1.0	0.858	1.0	0.648	0.934	0.078	0.029	0.384	0.378	0.071
Compound_576	CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)O	0.181	0.095	0.021	0.235	0.185	0.071	0.226	0.226	0.246	0.095	0.056
Compound_577	ClC([Si](C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl	0.92	0.171	0.726	0.635	0.72	0.461	0.839	0.394	0.151	1.0	0.727
Compound_578	OS(=O)(=O)Oc1ccc2c(c1)cccc2	0.865	0.604	0.738	0.455	0.651	0.566	0.997	0.937	0.577	0.834	0.418
Compound_579	FC(Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(F)(F)F)(F)F	0.558	0.622	0.61	0.797	0.615	0.597	0.904	0.593	0.287	0.895	0.573
Compound_580	OC(=O)Cc1ccc(cc1N(=O)=O)C(F)(F)F	0.203	0.41	0.141	0.457	0.399	0.173	0.986	0.987	0.361	0.018	0.716
Compound_581	C=C[Si]1(C)N[Si](C)(C=C)N[Si](N[Si](N1)(C)C=C)(C)C=C	0.653	0.179	0.707	0.629	0.17	0.467	0.195	0.996	0.892	0.541	0.538
Compound_582	[O-]C(=NO)C(=O)[O-]	0.532	0.132	0.278	0.395	0.116	0.108	0.064	0.891	0.433	0.918	0.576
Compound_583	O=C1C=CC2(C(=C1)C(=CC1C2CCC2(C1CCC2C(=O)C)C)Cl)C	0.933	0.94	0.473	0.831	0.968	0.983	0.301	0.991	0.248	0.999	0.419
Compound_584	CCN(c1cc2[o+]c3cc(N)ccc3nc2cc1C)CC	0.128	0.725	0.87	0.579	0.509	0.547	0.329	0.987	0.873	0.915	0.916
Compound_585	Clc1ccc(cc1)C=Cc1ccccc1	0.953	0.529	0.865	0.675	0.571	0.8	0.996	0.949	0.897	0.996	0.758
Compound_586	CCCCCCCCCCCCCCCCCCOCC(OCCCCCCCCCCCCCCCCCC)CO	0.938	0.253	0.046	0.596	0.263	0.521	0.971	0.546	0.658	0.904	0.489
Compound_587	CC(C#N)(CCl)Cl	0.93	0.203	0.269	0.672	0.5	0.179	0.994	0.983	0.78	0.97	0.957
Compound_588	NOc1ccccc1	0.639	0.236	0.946	0.576	0.055	0.048	0.843	0.868	0.95	0.951	0.583
Compound_589	CCCCCCOP(OCCCCCC)OCCCCCC	0.894	0.039	0.177	0.587	0.116	0.068	1.0	0.93	0.854	0.999	0.679
Compound_590	CCN(C(=S)SCNC(=S)Nc1ccccc1)CC	0.474	0.342	0.645	0.5	0.145	0.668	0.005	0.559	0.904	0.987	0.284
Compound_591	CC(=O)OC1CC2CC1C=C2	0.869	0.401	0.047	0.63	0.677	0.085	0.953	0.986	0.447	0.982	0.383
Compound_592	OC1C2OP(=O)(O)OCC2OC1n1cnc2c1nc(N)[nH]c2=O	0.443	0.598	0.025	0.371	0.114	0.278	0.001	0.003	0.265	0.009	0.521
Compound_593	CC(CN1CCN(CC1)CC(O)C)O	0.012	0.19	0.065	0.108	0.022	0.008	0.001	0.131	0.086	0.017	0.045
Compound_594	FC(C(Oc1ccc(cc1)C)(F)F)F	0.735	0.119	0.937	0.731	0.754	0.518	0.556	0.357	0.478	0.991	0.548
Compound_595	C=CC1(C)CCC(=CC1)C	0.924	0.17	0.713	0.6	0.376	0.122	0.937	0.975	0.92	0.996	0.8
Compound_596	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CC1C2(OC(O1)Cc1ccccc1)C(=O)C)C)C	0.825	0.99	0.082	0.794	0.735	0.903	0.805	0.928	0.23	0.983	0.532
Compound_597	OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)NCCS(=O)(=O)[O-])C)C)C	0.098	0.796	0.002	0.376	0.181	0.859	0.018	0.937	0.367	0.333	0.387
Compound_598	CCC(=O)C1OC1C	0.867	0.191	0.243	0.494	0.108	0.111	0.994	0.637	0.061	0.883	0.781
Compound_599	CCNc1ccc(cc1[N+]#N)C	0.627	0.368	0.834	0.495	0.124	0.049	0.035	0.032	0.796	0.87	0.482
Compound_600	CCCCCCCCCCCCCc1nc(N)nc(n1)N	0.642	0.36	0.688	0.518	0.148	0.468	0.156	0.502	0.892	0.584	0.261
Compound_601	ClCC(=O)C(C(=O)OC)C(=O)CCl	0.881	0.107	0.324	0.652	0.473	0.177	0.994	0.999	0.679	0.828	0.937
Compound_602	OCC=Cc1cc(OC)c(c(c1)OC)OC	0.683	0.283	0.422	0.694	0.519	0.171	0.155	0.785	0.893	0.579	0.689
Compound_603	CC(CC(C(=O)NCC(=O)NCC(=O)O)N)C	0.002	0.084	0.019	0.257	0.034	0.003	0.0	0.007	0.164	0.01	0.028
Compound_604	O=C(C(=C)C)OCCCOC(=O)C(=C)C	0.962	0.105	0.134	0.668	0.409	0.055	0.989	0.914	0.929	0.991	0.962
Compound_605	CCCCCCC(=O)OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C	0.981	1.0	0.217	0.73	0.512	0.898	0.317	0.065	0.287	0.971	0.261
Compound_606	CC(=O)c1c(=O)oc2c(c1O)cccc2	0.515	0.598	0.747	0.537	0.241	0.548	0.392	0.398	0.684	0.863	0.579
Compound_607	Fc1cccc(c1)S	0.971	0.289	0.738	0.61	0.15	0.143	0.998	0.167	0.956	0.999	0.247
Compound_608	Fc1ccc(cc1)C=C1OC(=O)c2c1cccc2	0.797	0.521	0.85	0.683	0.344	0.471	0.999	0.446	0.678	0.994	0.834
Compound_609	CC(C#N)CO	0.731	0.16	0.029	0.479	0.072	0.029	0.903	0.502	0.417	0.14	0.87
Compound_610	CC1OC(OC(C1)(C)C)c1ccccc1	0.352	0.553	0.083	0.543	0.034	0.393	0.903	0.844	0.479	0.647	0.321
Compound_611	O=CNCCCCC(C(=O)O)NC(=O)OC(C)(C)C	0.017	0.077	0.011	0.183	0.053	0.077	0.002	0.478	0.317	0.021	0.067
Compound_612	CC(=O)Oc1c(N(=O)=O)c(C)c(cc1C(C)(C)C)N(=O)=O	0.6	0.241	0.754	0.724	0.897	0.872	0.731	0.982	0.755	0.375	0.865
Compound_613	CNC(=O)C(=C)C	0.211	0.188	0.192	0.359	0.02	0.0	0.012	0.804	0.661	0.974	0.869
Compound_614	COC1NC(=O)NC1OC	0.044	0.187	0.233	0.309	0.053	0.011	0.0	0.399	0.635	0.062	0.257
Compound_615	OC(=O)C(c1ccccc1)C1CCCCC1	0.108	0.226	0.02	0.269	0.207	0.111	0.784	0.019	0.074	0.831	0.195
Compound_616	OC(=O)C(c1cccs1)(C1CCCC1)O	0.188	0.414	0.147	0.249	0.338	0.499	0.958	0.696	0.27	0.026	0.141
Compound_617	CCCCCCOP(=O)(O)O	0.93	0.06	0.039	0.401	0.048	0.042	0.982	0.028	0.78	0.649	0.367
Compound_618	OC(=O)C(c1ccccc1)C1CCCC1	0.077	0.123	0.02	0.269	0.132	0.061	0.307	0.019	0.03	0.055	0.095
Compound_619	C=C[Si]1(C)O[Si](C)(C=C)O[Si](O1)(C)C=C	0.786	0.192	0.481	0.656	0.19	0.374	0.967	0.995	0.873	0.921	0.632
Compound_620	FC(c1ccc(cc1)C)(F)F	0.911	0.137	0.839	0.694	0.112	0.035	0.998	0.951	0.53	0.998	0.256
Compound_621	CCCC[P+](Cc1ccc(cc1)N(=O)=O)(CCCC)CCCC	0.832	0.496	0.478	0.587	0.892	0.755	1.0	0.979	0.771	0.899	0.716
Compound_622	COC(=O)c1occc1C	0.187	0.167	0.257	0.431	0.013	0.044	0.86	0.02	0.88	0.619	0.538
Compound_623	CC[N+](Cc1ccccc1)(C)C	0.088	0.481	0.182	0.532	0.006	0.299	0.005	0.115	0.49	0.119	0.033
Compound_624	CC(CCl)CC#N	0.962	0.188	0.05	0.626	0.451	0.114	0.978	0.954	0.742	0.942	0.974
Compound_625	CCCCCCCCC=CCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO	0.281	0.322	0.366	0.543	0.019	0.774	0.471	0.506	0.924	0.023	0.152
Compound_626	NNC(=O)C(Cc1ccc(cc1)O)N	0.077	0.427	0.723	0.429	0.131	0.795	0.006	0.013	0.511	0.003	0.101
Compound_627	O=C(NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)OCc1ccccc1	0.386	0.563	0.043	0.213	0.045	0.275	0.263	0.529	0.28	0.908	0.247
Compound_628	CC(CC(C(=O)O)NSc1ccccc1N(=O)=O)C	0.25	0.367	0.665	0.349	0.516	0.218	0.001	0.95	0.246	0.554	0.598
Compound_629	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC(=O)O)C)C	0.931	1.0	0.293	0.353	0.947	0.88	0.031	0.795	0.388	0.99	0.144
Compound_630	FC(S(=O)(=O)Cl)F	0.792	0.149	0.162	0.593	0.595	0.159	0.939	1.0	0.728	0.998	0.652
Compound_631	CC(CCCC(O)C)C	0.834	0.088	0.315	0.506	0.058	0.024	0.844	0.273	0.036	0.143	0.232
Compound_632	N#CCCCCN1CCCCC1	0.549	0.233	0.048	0.089	0.146	0.136	0.009	0.562	0.546	0.63	0.458
Compound_633	CC=CN=C=O	0.48	0.215	0.951	0.618	0.115	0.02	0.344	0.958	0.854	0.947	0.777
Compound_634	CC1CC(O)OC(O1)C	0.591	0.211	0.128	0.58	0.019	0.038	0.312	0.963	0.305	0.099	0.014
Compound_635	CC(=O)C=CC(=O)O	0.712	0.078	0.101	0.294	0.393	0.039	0.993	0.556	0.892	0.824	0.649
Compound_636	CCO[Si](O[Si](OCC)(OCC)OCC)(O[Si](OCC)(OCC)OCC)OCC	0.855	0.084	0.741	0.524	0.118	0.463	0.982	0.152	0.461	0.989	0.649
Compound_637	ClC(=O)C1CCCC1	0.95	0.217	0.277	0.656	0.077	0.096	0.993	0.998	0.328	0.999	0.966
Compound_638	COC(=O)C=C(OC(=O)C)C	0.891	0.123	0.607	0.649	0.355	0.059	0.996	0.994	1.01	0.98	0.944
Compound_639	CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)N(=O)=O)CC[N+](N)(C)C	0.753	0.574	0.942	0.683	0.6	0.77	0.823	0.965	0.572	0.218	0.619
Compound_640	C[NH2+]CCCl	0.102	0.116	0.641	0.535	0.134	0.014	0.004	0.953	0.644	0.144	0.63
Compound_641	CCCC=CCCO	0.778	0.136	0.112	0.538	0.109	0.017	0.958	0.304	0.402	0.985	0.752
Compound_642	O=CC(C(C)C)C	0.817	0.094	0.344	0.488	0.024	0.066	0.986	0.229	0.696	0.992	0.881
Compound_643	CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC=C1C2CC(C2=CC(=O)CCC12C)F	0.911	1.0	0.354	0.873	0.72	0.84	0.078	0.58	0.066	0.089	0.033
Compound_644	Fc1c(c2c(F)c(F)c(c(c2F)F)N(=O)=O)c(F)c(c(c1F)N(=O)=O)F	0.972	0.654	0.944	0.736	0.711	0.507	0.993	0.991	0.54	0.999	0.916
Compound_645	OC(=O)C(C(c1ccc(c(c1)O)O)O)N	0.276	0.136	0.009	0.122	0.085	0.014	0.001	0.03	0.138	0.04	0.087
Compound_646	OCC1OC(C(C1O)O)n1cnc2c1ncnc2N(C)C	0.445	0.693	0.323	0.454	0.081	0.14	0.009	0.889	0.417	0.277	0.649
Compound_647	CC(=O)NCC(=O)N	0.026	0.037	0.013	0.175	0.01	0.0	0.0	0.015	0.376	0.014	0.305
Compound_648	OC1CCC=C1	0.702	0.183	0.289	0.573	0.385	0.05	0.924	0.668	0.414	0.269	0.203
Compound_649	CC(C(C(=O)O)NSc1ccccc1N(=O)=O)C	0.21	0.324	0.111	0.328	0.5	0.212	0.004	0.875	0.229	0.736	0.735
Compound_650	COC(N(C)C)N(C)C	0.357	0.097	0.024	0.218	0.116	0.024	0.01	0.907	0.511	0.75	0.148
Compound_651	CCCCCC(C(=O)O)C	0.583	0.011	0.072	0.2	0.064	0.003	0.827	0.226	0.033	0.246	0.278
Compound_652	OC(=O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ccccc1	0.213	0.427	0.135	0.251	0.284	0.659	0.975	0.397	0.28	0.204	0.261
Compound_653	COc1nc(nc(n1)Oc1ccccc1)Nc1ccc(c(c1)S(=O)(=O)[O-])C=Cc1ccc(cc1S(=O)(=O)[O-])Nc1nc(OC)nc(n1)Oc1ccccc1	0.847	0.429	0.962	0.501	0.779	0.732	0.916	0.912	0.501	0.037	0.533
Compound_654	C=CP(=O)(O)O	0.582	0.149	0.263	0.411	0.579	0.154	0.844	0.832	0.794	0.648	0.529
Compound_655	CC1Cc2c(O1)cccc2	0.163	0.267	0.806	0.587	0.087	0.119	0.876	0.767	0.485	0.998	0.548
Compound_656	CNP(=O)(Oc1ccccc1)NC	0.753	0.3	0.435	0.425	0.349	0.08	0.011	0.238	0.857	0.008	0.168
Compound_657	CC1CCC(=O)C1	0.914	0.234	0.212	0.427	0.023	0.015	0.902	0.438	0.269	0.983	0.713
Compound_658	CCOC(N(C)C)OCC	0.335	0.129	0.206	0.264	0.018	0.041	0.036	0.377	0.177	0.906	0.582
Compound_659	CC(=O)O[Si](c1ccccc1)(c1ccccc1)OC(=O)C	0.73	0.559	0.57	0.579	0.542	0.379	0.997	0.894	0.94	0.156	0.852
Compound_660	CCN1CN1CC	0.093	0.447	0.398	0.517	0.461	0.374	0.01	0.24	0.755	0.862	0.483
Compound_661	OC(C(F)(F)F)NC(=O)OCc1ccccc1	0.116	0.245	0.311	0.41	0.116	0.321	0.079	0.466	0.239	0.002	0.463
Compound_662	CCCCCCCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.983	0.687	0.502	0.592	0.967	0.99	0.969	0.983	0.887	0.989	0.986
Compound_663	Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)OC1OC(C(=O)[O-])C(C(C1O)O)O	0.562	0.537	0.091	0.541	0.949	0.814	0.973	0.044	0.372	0.03	0.991
Compound_664	Clc1ccc(c(c1)N=Nc1c(O)c2c(cc1S(=O)(=O)[O-])cc(cc2NS(=O)(=O)c1ccc(cc1)C)S(=O)(=O)[O-])OCc1ccccc1	0.614	0.436	0.453	0.391	0.727	0.745	0.755	0.954	0.412	0.872	0.363
Compound_665	NC(C(=O)NC(C(=O)O)Cc1ccccc1)Cc1ccccc1	0.097	0.442	0.02	0.24	0.046	0.063	0.191	0.002	0.282	0.023	0.064
Compound_666	CCCCC(COP(=O)(c1ccccc1)OCC(CCCC)CC)CC	0.777	0.27	0.149	0.532	0.313	0.082	1.0	0.298	0.65	0.994	0.529
Compound_667	CCC(=O)C=Cc1ccccc1	0.946	0.167	0.638	0.767	0.035	0.073	0.795	0.541	0.371	0.994	0.636
Compound_668	CC(=O)C=Cc1ccc(cc1)Cl	0.958	0.197	0.843	0.736	0.279	0.421	0.913	0.258	0.897	0.999	0.466
Compound_669	CCC(C(C(=O)O)NC(=O)OCc1ccccc1)C	0.029	0.282	0.063	0.229	0.03	0.093	0.02	0.735	0.28	0.021	0.068
Compound_670	CC(C(=O)c1ccccc1)Br	0.905	0.145	0.825	0.708	0.788	0.665	0.957	0.993	0.729	0.998	0.745
Compound_671	Oc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1N(=O)=O)Nc1ccccc1	0.717	0.817	0.973	0.781	0.964	0.867	0.993	0.999	0.498	0.993	0.986
Compound_672	CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C	0.111	0.769	0.983	0.648	0.723	0.708	0.819	0.656	0.642	0.278	0.95
Compound_673	CCCCCCCCCCCC[Si](OC)(OC)OC	0.991	0.035	0.251	0.591	0.119	0.139	1.0	0.987	0.977	0.985	0.78
Compound_674	NCCC[Si](OCCOC)(OCCOC)OCCOC	0.459	0.105	0.075	0.397	0.046	0.116	0.008	0.014	0.374	0.011	0.164
Compound_675	NCCNCCC[Si](OC)(C)C	0.061	0.241	0.003	0.32	0.014	0.142	0.0	0.019	0.198	0.01	0.197
Compound_676	CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC	0.991	0.035	0.251	0.591	0.166	0.154	1.0	0.987	0.977	0.985	0.78
Compound_677	CC[n+]1c(C=CC=CC=CC=c2sc3c(n2CC)cccc3)sc2c1cccc2	0.588	0.662	0.974	0.668	0.456	0.682	0.174	0.942	0.728	0.905	0.692
Compound_678	CCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCC	0.848	0.003	0.251	0.736	0.105	0.106	0.998	0.649	0.35	0.998	0.912
Compound_679	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC	0.79	0.006	0.474	0.632	0.35	0.051	0.999	0.987	0.403	1.0	0.914
Compound_680	CC[Si](Cl)(Cl)C	0.898	0.381	0.582	0.649	0.088	0.265	0.958	0.893	0.899	0.995	0.692
Compound_681	OCC(C(=O)O)NC(=O)C(Cl)Cl	0.024	0.118	0.009	0.271	0.541	0.108	0.007	0.678	0.286	0.027	0.247
Compound_682	CC(CN1CCOCC1)O	0.026	0.13	0.04	0.1	0.014	0.013	0.005	0.014	0.121	0.084	0.026
Compound_683	CC(c1ccccc1)CCc1ccccc1	0.548	0.523	0.355	0.503	0.339	0.351	0.989	0.525	0.495	0.989	0.534
Compound_684	OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)CCC21C)F)(C)C	0.697	1.0	0.026	0.961	0.857	0.912	0.071	0.076	0.237	0.208	0.087
Compound_685	CC(=O)OC1CCC2(C(C1)(O)C(F)CC1C2CCC2(C1CC(C2(O)C(=O)C)C)C)C	0.722	0.946	0.22	0.737	0.842	0.836	0.036	0.942	0.259	0.107	0.31
Compound_686	OCC(=O)C12OC(OC1CC1C2(C)CCC2C1CC(C1=CC(=O)CCC21C)F)(C)C	0.807	1.0	0.003	0.923	0.863	0.883	0.066	0.42	0.205	0.295	0.144
Compound_687	CC(C(=O)O)CC(C(=O)O)C	0.262	0.041	0.065	0.16	0.029	0.005	0.732	0.089	0.131	0.014	0.126
Compound_688	OCCCN1C(C)CCC1C	0.159	0.362	0.053	0.097	0.024	0.318	0.001	0.039	0.059	0.04	0.206
Compound_689	CC[n+]1ccccc1	0.514	0.236	0.791	0.627	0.018	0.232	0.055	0.978	0.886	0.489	0.217
Compound_690	Cc1cc(O)cc(c1)C(C)C	0.671	0.081	0.818	0.569	0.241	0.042	0.774	0.836	0.691	0.671	0.129
Compound_691	O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2C(=O)C)C)C	0.942	1.0	0.046	0.989	0.924	0.963	0.02	0.326	0.15	0.974	0.048
Compound_692	Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)[O-])O)N=Nc1ccc(cc1)S(=O)(=O)O	0.696	0.326	1.0	0.635	0.852	0.655	0.818	0.898	0.336	0.032	0.208
Compound_693	CC(COCC1CO1)C	0.84	0.214	0.136	0.582	0.199	0.065	0.759	0.12	0.758	0.992	0.818
Compound_694	COc1ccc(cc1)CC(c1ccccc1)C(=O)OCC[NH+](CC)CC	0.069	0.562	0.275	0.557	0.277	0.351	0.034	0.034	0.32	0.017	0.21
Compound_695	C[N+](CCOC(c1ccccc1)c1ccccc1)(C)C	0.053	0.318	0.238	0.527	0.108	0.29	0.003	0.014	0.052	0.0	0.043
Compound_696	CCCCCCCCCCCCCCCCCl	1.001	0.043	0.309	0.704	0.532	0.573	1.0	0.997	0.178	1.0	0.907
Compound_697	CC(=O)CC1CCC2(NC1)OC1C(C2C)C2(C(C1)C1CC(=C3C(C1CC2)(C)CCCC3)OC(=O)C)C	0.473	0.9	0.003	0.476	0.52	0.773	0.351	0.14	0.335	0.791	0.259
Compound_698	CCOC(=O)C(N)C	0.073	0.061	0.253	0.51	0.028	0.003	0.001	0.005	0.176	0.017	0.286
Compound_699	CCCCCC(CC)Cl	1.001	0.175	0.433	0.711	0.469	0.269	0.998	0.998	0.83	1.0	0.919
Compound_700	COCC(C(=O)OC)C	0.76	0.02	0.237	0.526	0.056	0.007	0.881	0.489	0.505	0.428	0.703
Compound_701	CC(O[Si](OC(C)C)(OC(C)C)OC(C)C)C	0.865	0.1	0.402	0.497	0.085	0.115	0.996	0.81	0.869	0.988	0.689
Compound_702	CC(C(=O)NC(C(=O)O)Cc1ccccc1)N	0.032	0.158	0.017	0.164	0.006	0.004	0.001	0.002	0.29	0.005	0.004
Compound_703	CCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	0.942	0.674	0.49	0.685	0.785	0.066	0.988	0.923	0.918	0.996	0.717
Compound_704	CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O	0.593	0.679	0.013	0.444	0.297	0.622	0.04	0.151	0.405	0.087	0.39
Compound_705	OC(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F	0.486	0.426	0.205	0.596	0.38	0.242	0.879	0.65	0.443	0.996	0.929
Compound_706	Clc1c[nH]c(=O)[nH]c1=O	0.147	0.442	0.123	0.459	0.126	0.051	0.463	0.037	0.635	0.163	0.909
Compound_707	C[Si](NCCN[Si](C)(C)C)(C)C	0.158	0.209	0.693	0.577	0.02	0.499	0.0	0.895	0.316	0.012	0.21
Compound_708	C=CSc1ccccc1	0.811	0.379	0.877	0.694	0.258	0.499	0.999	0.797	0.748	0.999	0.546
Compound_709	N#CC=Cc1cccc(c1)N	0.896	0.336	0.835	0.745	0.277	0.082	0.983	0.88	0.936	0.971	0.853
Compound_710	CSCCC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C	0.075	0.495	0.07	0.37	0.443	0.085	0.007	0.173	0.374	0.059	0.698
Compound_711	CC(Cc1ccccc1)Br	0.734	0.134	0.809	0.685	0.272	0.271	0.996	0.962	0.822	0.998	0.318
Compound_712	CC(=O)OC1CC2(C)C(C3C1(F)C1(C)C=CC(=O)C=C1CC3)CCC2(O)C(=O)C(O)C	0.931	1.0	0.065	0.942	0.779	0.922	0.033	0.429	0.315	0.277	0.047
Compound_713	CCCCCCCCCCCCC(=O)CCCCCCCCCCCC	0.979	0.019	0.315	0.548	0.062	0.095	1.0	0.667	0.693	1.0	0.929
Compound_714	CC(=N)CC#N	0.794	0.246	0.258	0.509	0.14	0.024	0.553	0.942	0.732	0.776	0.811
Compound_715	CC1=NN(C(=O)C1)c1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O	0.351	0.518	0.636	0.35	0.525	0.673	0.844	0.697	0.405	0.059	0.311
Compound_716	CCCCC(COP(Oc1ccccc1)OCC(CCCC)CC)CC	0.927	0.351	0.268	0.641	0.38	0.055	0.993	0.372	0.715	0.998	0.518
Compound_717	CC(CC(=NCCCCCCN=C(CC(C)C)C)C)C	0.569	0.163	0.805	0.494	0.062	0.459	0.93	0.686	0.702	0.676	0.506
Compound_718	[O-]S(=O)(=O)c1ccccc1C=Nc1ccc(cc1)Nc1ccccc1	0.505	0.399	0.765	0.433	0.819	0.792	0.616	0.945	0.403	0.796	0.161
Compound_719	CCn1ccc(=CC=C(c2cc[n+](c3c2cccc3)CC)C=Cc2cc[n+](c3c2cccc3)CC)c2c1cccc2	0.597	0.735	0.697	0.618	0.672	0.945	0.63	0.944	0.593	0.674	0.819
Compound_720	c1ccc(cc1)Nc1cc2c(cc1Nc1ccccc1)nc1c([n+]2c2ccccc2)cc(c(c1)Nc1ccccc1)Nc1ccccc1	0.817	0.807	0.988	0.649	0.913	0.764	0.225	0.988	0.713	0.865	0.985
Compound_721	OCOCC(C)C	0.683	0.087	0.024	0.49	0.034	0.06	0.942	0.186	0.395	0.381	0.5
Compound_722	O=C(C=Cc1ccccc1)OOC(C)(C)C	0.962	0.174	0.632	0.736	0.161	0.176	0.827	0.917	0.566	0.973	0.517
Compound_723	O=C1N(Cc2c1cc(c(c2)Cl)S(=O)(=O)N)C1CCCCC1	0.183	0.473	0.024	0.212	0.476	0.644	0.316	0.014	0.343	0.144	0.226
Compound_724	O=N(=O)c1ccc(nc1)SSc1ccc(cn1)N(=O)=O	0.662	0.469	0.887	0.513	0.565	0.642	0.962	0.57	0.496	0.978	0.775
Compound_725	OC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C	0.187	0.605	0.019	0.333	0.375	0.842	0.699	0.454	0.328	0.051	0.163
Compound_726	OCCC1CC=C(C1(C)C)C	0.809	0.381	0.157	0.535	0.367	0.078	0.186	0.519	0.188	0.624	0.913
Compound_727	CC(=O)OCCC1CC(=O)C(C1(C)C)C	0.882	0.401	0.112	0.545	0.288	0.187	0.491	0.638	0.335	0.595	0.73
Compound_728	CC(CCCC(C1CCC2C1(C)CCC1C2CC(=C2C1(C)CCC(C2)OC(=O)C)N(=O)=O)C)C	0.895	0.95	0.087	0.613	0.891	0.971	0.055	0.788	0.323	0.781	0.75
Compound_729	C=C[Si](O[Si](C=C)(C)C)(O[Si](C=C)(C)C)C	0.793	0.058	0.102	0.659	0.228	0.368	0.978	0.994	0.873	0.998	0.634
Compound_730	CCC(c1ccccc1)c1ccccc1	0.78	0.527	0.545	0.488	0.244	0.22	0.925	0.731	0.71	0.998	0.824
Compound_731	Oc1ccc(c(c1)O)N=Nc1ccccc1O	0.96	0.868	0.933	0.718	0.873	0.644	0.998	0.661	0.789	0.879	0.904
Compound_732	OC(S(=O)(=O)O)c1ccncc1	0.158	0.274	0.339	0.34	0.028	0.386	0.193	0.038	0.446	0.099	0.173
Compound_733	C[NH+](C1CC[NH+](CC1)Cc1ccccc1)C	0.157	0.276	0.34	0.414	0.001	0.134	-0.0	0.518	0.291	0.002	0.078
Compound_734	Clc1cccc2c1C(=O)c1c(C2)cccc1	0.738	0.731	0.883	0.66	0.742	0.827	0.983	0.977	0.785	0.999	1.001
Compound_735	Clc1ccc2c(c1)Cc1c(C2=O)cccc1	0.73	0.731	0.905	0.675	0.712	0.867	0.982	0.942	0.785	0.999	1.001
Compound_736	O=CC=CC1=C(C)CCCC1(C)C	1.001	0.189	0.81	0.711	0.495	0.867	0.992	0.964	0.986	0.999	0.789
Compound_737	CC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC(=O)c1ccccc1	0.969	0.83	0.08	0.541	0.989	0.974	0.749	0.653	0.207	0.968	0.968
Compound_738	CNc1ccc(cc1C(=O)c1ccccc1)N(=O)=O	0.888	0.671	0.958	0.613	0.169	0.33	0.667	0.93	0.631	0.965	0.91
Compound_739	BrCC(=O)NC(NC(=O)CBr)C	0.08	0.065	0.184	0.426	0.407	0.128	0.0	0.931	0.376	0.608	0.431
Compound_740	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CC1C2(OC(O1)(C)C)C(=O)C)C)C	0.949	1.0	0.018	0.827	0.884	0.879	0.482	0.773	0.235	0.977	0.478
Compound_741	CC(=O)OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CC=C2C(=O)C)C)C	0.975	0.94	0.025	0.678	0.398	0.327	0.351	0.982	0.321	0.999	0.872
Compound_742	COC(=O)CCC(C1CCC2C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)O)C	0.732	0.895	0.031	0.683	0.779	0.879	0.024	0.92	0.197	0.925	0.271
Compound_743	OC(=O)CCCOOC(=O)O	0.468	0.07	0.095	0.208	0.108	0.089	0.62	0.116	0.543	0.046	0.428
Compound_744	NCC(=O)NC(C(=O)O)CC(=O)N	0.003	0.124	0.001	0.104	0.072	0.005	0.001	0.001	0.276	0.003	0.093
Compound_745	c1ccc(cc1)c1ccc(cc1)[Si](c1ccc(cc1)c1ccccc1)(c1ccccc1)c1ccccc1	0.905	0.529	0.889	0.769	0.968	0.684	0.999	0.857	0.95	0.994	0.552
Compound_746	CC(=O)OOS(=O)(=O)C1CCCCC1	0.594	0.218	0.192	0.467	0.087	0.143	0.972	0.783	0.43	0.705	0.163
Compound_747	Oc1ccc2c(c1N=Nc1cc(cc(c1O)N(=O)=O)S(=O)(=O)[O-])cccc2	0.907	0.519	0.979	0.532	0.762	0.694	0.653	0.998	0.472	0.473	0.417
Compound_748	CC(=O)OC1C(OC(=O)C)C(OC1n1cnc2c1ncnc2O)COC(=O)C	0.759	0.668	0.74	0.587	0.5	0.622	0.097	0.271	0.554	0.163	0.78
Compound_749	CCCCCCCCC(O)C	0.928	0.036	0.059	0.562	0.067	0.044	0.92	0.525	0.36	0.972	0.523
Compound_750	CCCSC=CSCCC	0.659	0.06	0.241	0.481	0.531	0.07	0.995	0.26	0.863	0.998	0.893
Compound_751	Brc1ccncc1	0.442	0.189	0.668	0.563	0.179	0.255	0.32	0.284	0.957	0.92	0.123
Compound_752	OC1CCCNC1	0.003	0.139	0.007	0.249	0.005	0.005	0.0	0.028	0.217	0.112	0.009
Compound_753	O=C1C=CC2(C(=C1)C(F)CC1C2C(O)CC2(C1CC(C2(O)C(=O)COC(=O)C(C)(C)C)C)C)C	0.963	1.0	0.5	0.99	0.648	0.934	0.078	0.461	0.299	0.212	0.055
Compound_754	CC(OC1CCCO1)(C)C	0.751	0.276	0.025	0.522	0.051	0.128	0.951	0.706	0.664	0.962	0.823
Compound_755	C1CCC(OC1)OCCc1ccccc1	0.531	0.45	0.314	0.603	0.085	0.514	0.976	0.703	0.832	0.967	0.477
Compound_756	CCOC(=O)C=Cc1ccc(cc1)OC	0.939	0.229	0.926	0.879	0.376	0.719	0.815	0.326	0.721	0.927	0.393
Compound_757	O=C(C=CC(=O)O)OOC(C)(C)C	0.888	0.056	0.084	0.366	0.613	0.113	0.94	0.979	0.863	0.794	0.879
Compound_758	O=CC=CC=CC=O	0.95	0.161	0.699	0.62	0.243	0.557	1.0	0.996	0.966	0.997	0.946
Compound_759	NCCCC(=O)N	0.058	0.05	0.007	0.16	0.007	0.002	0.001	0.001	0.256	0.002	0.137
Compound_760	CC(C(=O)NC(C(=O)O)Cc1c[nH]cn1)N	0.084	0.21	0.042	0.234	0.168	0.693	0.001	0.079	0.208	0.006	0.07
Compound_761	O=C(C(=C)C)Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)C(=C)C)(C)C	0.835	0.513	0.583	0.678	0.953	0.906	0.996	0.956	0.787	0.984	0.877
Compound_762	CCO[Si](C)(C)C	0.866	0.17	0.158	0.518	0.019	0.098	0.962	0.18	0.461	0.981	0.493
Compound_763	CCCO[Si](C)(C)C	0.838	0.196	0.078	0.535	0.034	0.103	0.987	0.303	0.671	0.871	0.568
Compound_764	Fc1ccc(cc1)[I+]c1ccc(cc1)F	0.98	0.425	0.821	0.602	0.621	0.268	0.999	0.492	0.782	0.997	0.719
Compound_765	c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1	0.622	0.393	0.904	0.556	0.974	0.583	0.999	0.534	0.962	0.999	0.75
Compound_766	C[Si](O[Si](Cc1ccccc1)(C)C)(Cc1ccccc1)C	0.687	0.471	0.111	0.568	0.237	0.465	0.999	0.671	0.884	0.94	0.493
Compound_767	BrCCSc1ccccc1	0.784	0.306	0.895	0.728	0.443	0.53	0.998	0.648	0.619	0.999	0.799
Compound_768	COc1ccc(cc1C(=O)O)S(=O)(=O)CC	0.114	0.465	0.098	0.229	0.138	0.343	0.044	0.017	0.388	0.282	0.144
Compound_769	CCCCC(C=C)O	0.877	0.071	0.305	0.626	0.199	0.026	0.911	0.968	0.418	0.719	0.422
Compound_770	OCc1cc(O)c(c(c1Br)Br)O	0.895	0.137	0.366	0.673	0.705	0.652	0.907	0.892	0.412	0.961	0.797
Compound_771	CCCCC(C1OCC(CO1)O)CC	0.802	0.319	0.036	0.512	0.043	0.138	0.484	0.665	0.304	0.754	0.13
Compound_772	CC1(CCC(=CO1)C)C=O	0.739	0.258	0.204	0.501	0.03	0.2	0.916	0.83	0.378	0.579	0.514
Compound_773	COC(=O)C1(CO)C2CC(C34C1(CC[N+]4(CC2=CC)C)c1ccccc1N3)O	0.709	0.769	0.014	0.591	0.759	0.384	0.167	0.863	0.305	0.431	0.479
Compound_774	CC1Cc2c(N1)cccc2	0.22	0.328	0.886	0.286	0.073	0.06	0.043	0.678	0.609	0.688	0.09
Compound_775	OC(=O)C(CC(=O)O)SC(C(=O)O)CC(=O)O	0.347	0.096	0.145	0.29	0.506	0.105	0.527	0.355	0.436	0.052	0.199
Compound_776	CC(=O)N(C(=O)C)N=C1CC(Oc2c1cccc2)c1ccccc1	0.356	0.724	0.922	0.565	0.447	0.831	0.343	0.404	0.321	0.176	0.43
Compound_777	Clc1ccc(cc1)OC(=O)c1ccccc1	0.838	0.646	0.915	0.722	0.518	0.606	0.9	0.251	0.511	0.955	0.867
Compound_778	SCC(C(=O)O)NCC(C(=O)O)N	0.003	0.152	0.002	0.087	0.149	0.019	0.001	0.015	0.219	0.011	0.141
Compound_779	C=Cc1ccc(cc1)C(=O)OCC1OC1	0.607	0.201	0.891	0.674	0.285	0.378	0.862	0.512	0.896	0.994	0.708
Compound_780	COC(=O)C1COC(C1=O)C	0.738	0.271	0.206	0.522	0.017	0.084	0.939	0.459	0.563	0.029	0.815
Compound_781	N#CC1CCC1C#N	0.948	0.25	0.159	0.498	0.431	0.582	0.927	0.816	0.54	0.992	0.908
Compound_782	N#Cc1c(F)c(F)c(c(c1F)F)C#N	0.935	0.171	0.587	0.623	0.701	0.134	0.998	0.957	0.511	0.992	0.857
Compound_783	COC(=O)CC(C(=O)O)N	0.018	0.066	0.019	0.233	0.033	0.006	0.015	0.058	0.405	0.001	0.067
Compound_784	C=CCOC=O	0.914	0.094	0.601	0.639	0.317	0.3	0.999	0.998	0.351	0.989	0.896
Compound_785	CCCC(C(CC)C)O	0.861	0.074	0.041	0.517	0.055	0.035	0.872	0.165	0.547	0.992	0.651
Compound_786	CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC	0.892	0.124	0.11	0.622	0.863	0.872	0.999	0.923	0.107	0.997	0.707
Compound_787	OC1CCC2(C(=CCC3C2CCC2(C3CC3(C2(O3)C(=O)C)C)C)C1)C	0.951	1.0	0.016	0.858	0.933	0.93	0.011	0.983	0.087	0.896	0.143
Compound_788	Oc1ccc2c(c1)Sc1c(N2)cccc1	0.43	0.641	0.438	0.499	0.955	0.6	0.587	0.113	0.739	0.987	0.942
Compound_789	CCCCCCOC1CCCCO1	0.809	0.207	0.182	0.584	0.065	0.092	0.995	0.935	0.837	0.993	0.526
Compound_790	COC(=O)COc1ccc2c(c1)cccc2	0.316	0.602	0.957	0.729	0.348	0.08	0.996	0.966	0.491	0.678	0.73
Compound_791	[O-]C(=O)C1=NN(C(=O)C1N=Nc1ccccc1)c1ccc(cc1)S(=O)(=O)[O-]	0.436	0.453	0.985	0.575	0.465	0.536	0.124	0.965	0.405	0.075	0.266
Compound_792	OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2Cl	0.641	0.726	0.303	0.548	0.137	0.208	0.013	0.908	0.355	0.177	0.945
Compound_793	CC(C(c1ccc(cc1)Cl)C#N)C	0.853	0.176	0.397	0.589	0.653	0.256	0.979	0.354	0.555	0.876	0.444
Compound_794	CCC(CC(C1CCCCC1)(C)C)O	0.928	0.178	0.134	0.527	0.14	0.059	0.711	0.426	0.579	0.983	0.664
Compound_795	CC(=O)C=C1C=C(C)CC(C1)(C)C	0.984	0.213	0.507	0.656	0.208	0.293	0.518	0.876	0.97	1.0	0.854
Compound_796	Clc1cccc2c1cc1ccccc1c2	0.98	0.571	0.976	0.634	0.867	0.66	0.997	0.906	0.953	0.999	0.918
Compound_797	CC(C(c1cccnc1)(O)C)(c1cccnc1)O	0.027	0.736	0.162	0.535	0.029	0.484	0.001	0.017	0.349	0.004	0.895
Compound_798	Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)[O-])c(O)cc(c2)S(=O)(=O)[O-]	0.749	0.428	0.998	0.782	0.768	0.793	0.786	0.998	0.466	0.204	0.198
Compound_799	ClS(=O)(=O)Cc1ccccc1	0.776	0.426	0.654	0.661	0.027	0.101	0.991	0.987	0.654	0.967	0.554
Compound_800	CCCCCCC(CCC)O	0.929	0.036	0.059	0.567	0.067	0.044	0.92	0.622	0.591	0.972	0.523
Compound_801	CCC(OC(=O)CC(C)C)C	0.71	0.018	0.574	0.498	0.081	0.008	0.931	0.433	0.522	0.994	0.808
Compound_802	C=CC(=O)OC(=O)C=C	0.953	0.067	0.574	0.656	0.578	0.256	0.999	1.0	0.971	0.983	0.925
Compound_803	CCC(C#N)O	0.807	0.121	0.011	0.467	0.119	0.038	0.841	0.453	0.456	0.15	0.664
Compound_804	C(OP(OCCOc1ccccc1)OCCOc1ccccc1)COc1ccccc1	0.648	0.567	0.772	0.672	0.96	0.253	0.997	0.736	0.848	0.99	0.55
Compound_805	CC1CC(C)(C)Nc2c1cccc2	0.254	0.533	0.764	0.491	0.084	0.181	0.065	0.694	0.388	0.364	0.149
Compound_806	CN(C(OCc1ccccc1)OCc1ccccc1)C	0.16	0.617	0.083	0.193	0.069	0.774	0.569	0.462	0.446	0.703	0.417
Compound_807	OCc1cc(ccc1OCC1CO1)C(c1ccc(cc1)OCC1CO1)(C)C	0.19	0.511	0.415	0.685	0.951	0.733	0.379	0.599	0.636	0.893	0.95
Compound_808	CC(C1NC(=O)OC1=O)C	0.026	0.179	0.266	0.354	0.043	0.006	0.012	0.659	0.256	0.096	0.165
Compound_809	ClCC(=O)NC(C(=O)O)Cc1ccccc1	0.067	0.166	0.065	0.323	0.5	0.032	0.087	0.859	0.412	0.023	0.234
Compound_810	OC(=O)c1ccccc1C(C)(C)C	0.411	0.111	0.172	0.405	0.188	0.109	0.98	0.194	0.73	0.611	0.264
Compound_811	OC(c1ccccc1)CN1CCSC1=NC(=O)C	0.046	0.436	0.545	0.473	0.018	0.091	0.048	0.397	0.305	0.035	0.018
Compound_812	COc1cc2[nH]c3c(c2cc1OC)CCN1C3CC2C(C1)C(C)OC=C2C(=O)OCCN(C)C	0.611	0.739	0.014	0.269	0.712	0.675	0.714	0.428	0.379	0.76	0.728
Compound_813	COc1cc(C#N)ccc1OC	0.868	0.104	0.743	0.651	0.438	0.307	0.749	0.073	0.649	0.664	0.688
Compound_814	CC[Si]1(CC)O[Si](CC)(CC)O[Si](O1)(CC)CC	0.663	0.215	0.183	0.512	0.062	0.365	0.952	0.738	0.846	0.866	0.673
Compound_815	CC1=CC2C(CC1)C2(C)C	0.997	0.179	0.33	0.643	0.54	0.077	0.505	0.884	0.774	0.991	0.529
Compound_816	O=CC1CC(C)CCC1C(C)C	0.972	0.077	0.252	0.43	0.077	0.194	0.892	0.373	0.451	0.997	0.368
Compound_817	CCOC(=O)Oc1ccccc1OC	0.69	0.167	0.931	0.616	0.248	0.098	0.914	0.031	0.398	0.78	0.153
Compound_818	CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2(O)C(=O)C)C)C1)C	0.931	1.0	0.003	0.818	0.839	0.903	0.026	0.561	0.193	0.313	0.055
Compound_819	OCCN1CCC(=CC1)c1ccccc1	0.109	0.32	0.112	0.117	0.035	0.417	0.006	0.063	0.199	0.423	0.022
Compound_820	C=CC(CCCC(C)C)C	0.966	0.06	0.738	0.636	0.339	0.009	0.98	0.95	0.296	0.986	0.796
Compound_821	NNCC(F)(F)F	0.237	0.199	0.444	0.547	0.198	0.201	0.055	0.834	0.769	0.013	0.352
Compound_822	OC1CCCC1O	0.532	0.132	0.097	0.5	0.16	0.351	0.795	0.296	0.185	0.362	0.069
Compound_823	COc1cc([N+]#N)c(cc1N1CCOCC1)OC	0.392	0.613	0.643	0.534	0.271	0.323	0.037	0.054	0.49	0.007	0.401
Compound_824	CC[Si](c1ccccc1)(Cl)Cl	0.954	0.398	0.256	0.694	0.167	0.434	0.998	0.96	0.912	0.998	0.577
Compound_825	S=C1NC(C(=O)N1c1ccccc1)Cc1ccccc1	0.497	0.526	0.336	0.367	0.171	0.905	0.473	0.212	0.511	0.784	0.335
Compound_826	O=C1N(c2ccccc2)C(=S)N2C1CCC2	0.433	0.451	0.449	0.525	0.182	0.681	0.08	0.062	0.365	0.65	0.151
Compound_827	NCCCBr	0.154	0.054	0.052	0.448	0.124	0.031	0.002	0.014	0.402	0.346	0.624
Compound_828	N#CC(c1ccccn1)(c1ccccc1)CCN(C(C)C)C(C)C	0.087	0.599	0.014	0.165	0.277	0.567	0.001	0.106	0.537	0.011	0.371
Compound_829	ClC(=O)C1CCC1	0.915	0.109	0.277	0.656	0.202	0.594	0.995	0.998	0.381	0.998	0.921
Compound_830	O=C1CCC2CC1CC2	0.976	0.594	0.277	0.462	0.071	0.141	0.66	0.503	0.247	0.999	0.532
Compound_831	O=C1OCC(C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O	0.477	0.895	0.0	0.628	0.947	0.891	0.826	0.39	0.576	0.788	0.87
Compound_832	Cc1ccc2c(c1)nc(o2)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.405	0.72	1.0	0.776	0.787	0.655	0.808	0.908	0.974	0.916	0.928
Compound_833	FC(c1cccnc1)(F)F	0.486	0.235	0.443	0.656	0.049	0.1	0.894	0.344	0.638	0.877	0.315
Compound_834	CC(C1CCC(C(C1O)O)C)C	0.908	0.162	0.051	0.458	0.173	0.061	0.842	0.149	0.392	0.581	0.043
Compound_835	CCCCCCCCCC(CCCCCCC)O	0.928	0.036	0.059	0.567	0.091	0.159	0.983	0.622	0.586	0.972	0.523
Compound_836	Oc1ccccc1CN1CCCCCC1	0.175	0.281	0.448	0.267	0.155	0.341	0.024	0.26	0.461	0.528	0.111
Compound_837	Clc1nc(Cl)c(c(c1Cl)[O-])Cl	0.795	0.285	0.948	0.581	0.477	0.494	0.987	0.931	0.936	0.985	0.959
Compound_838	OC1CCCC(C1)C1CC2C(C1(C)CC2)(C)C	0.928	0.896	0.015	0.472	0.575	0.179	0.1	0.444	0.343	0.978	0.648
Compound_839	OCC(COc1ccc(cc1)c1ccccc1)O	0.259	0.549	0.12	0.598	0.692	0.805	0.72	0.132	0.301	0.203	0.24
Compound_840	CCSC(C(C(C(C(CO)O)O)O)O)SCC	0.366	0.195	0.088	0.404	0.562	0.38	0.366	0.018	0.213	0.6	0.097
Compound_841	CCN(CCSC(=O)N(c1ccccc1)c1ccccc1)CC	0.24	0.646	0.109	0.137	0.618	0.701	0.691	0.007	0.124	0.779	0.288
Compound_842	ON=C1C(C)(C)C(=NO)C1(C)C	0.695	0.459	0.672	0.566	0.413	0.612	0.725	0.57	0.44	0.603	0.835
Compound_843	Fc1ccc2c(c1)ccc(n2)C	0.892	0.527	0.92	0.527	0.613	0.411	0.643	0.844	0.994	0.905	0.652
Compound_844	CC[n+]1sc2c(c1Cl)cccc2	0.164	0.595	0.991	0.663	0.044	0.289	0.007	0.97	0.488	0.871	0.691
Compound_845	O=COc1ccc(cc1OC)C=CC	0.873	0.293	0.904	0.769	0.172	0.098	0.699	0.334	0.684	0.946	0.23
Compound_846	O=COC(c1ccccc1)C	0.355	0.138	0.761	0.535	0.054	0.141	0.979	0.426	0.55	0.854	0.148
Compound_847	CC(c1ccccc1)OC(=O)C(C)C	0.279	0.12	0.601	0.55	0.112	0.055	0.969	0.868	0.174	0.855	0.248
Compound_848	NC(=O)C(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_849	CC(=O)Nc1ccc(c(c1)N=Nc1cc(cc(c1O)N(=O)=O)N(=O)=O)O	0.804	0.682	0.872	0.496	0.874	0.843	0.486	0.787	0.723	0.975	0.88
Compound_850	C=CCOc1ccc(cc1)C(c1ccc(cc1)OCC=C)(C)C	0.86	0.59	0.945	0.773	0.904	0.985	0.949	0.992	0.231	0.978	0.648
Compound_851	CCC1(CCCCC1)OC(=O)C	0.92	0.275	0.049	0.574	0.148	0.058	0.895	0.984	0.631	0.992	0.696
Compound_852	C=CCNS(=O)(=O)c1cc(c(cc1N=CC=C(O)C)Cl)S(=O)(=O)N	0.082	0.445	0.108	0.221	0.148	0.198	0.011	0.52	0.196	0.007	0.303
Compound_853	CCCCCCCCCOP(OCCCCCCCCC)OCCCCCCCCC	0.961	0.039	0.177	0.587	0.156	0.074	1.0	0.93	0.877	0.999	0.679
Compound_854	CCC[Si](OCC)(OCC)OCC	0.952	0.054	0.561	0.561	0.083	0.093	0.998	0.723	0.467	0.997	0.695
Compound_855	CCO[Si](CC=C)(OCC)OCC	0.936	0.065	0.492	0.608	0.394	0.105	0.999	0.965	0.117	1.0	0.8
Compound_856	CC(C(=O)C)Cc1ccccc1	0.683	0.127	0.609	0.531	0.025	0.036	0.885	0.168	0.582	0.938	0.274
Compound_857	O=C(c1ccccc1O)Oc1ccc(cc1)C(CC(C)(C)C)(C)C	0.867	0.595	0.144	0.759	0.937	0.898	0.91	0.163	0.293	0.692	0.202
Compound_858	CCO[Si](c1ccccc1)(c1ccccc1)OCC	0.629	0.541	0.859	0.54	0.447	0.4	0.999	0.211	0.492	0.994	0.948
Compound_859	Cc1ccc(cc1C)C1CCCCC1	0.871	0.243	0.505	0.538	0.132	0.093	0.372	0.787	0.81	0.99	0.44
Compound_860	Cc1ccc(cc1)C[N+](C)(C)C	0.29	0.339	0.458	0.523	0.007	0.321	0.005	0.309	0.285	0.085	0.033
Compound_861	OCC1OC2C(C1O)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_862	CC(CC(c1ccccc1)(C)C)O	0.723	0.094	0.136	0.575	0.08	0.124	0.479	0.075	0.214	0.419	0.134
Compound_863	CCCCCC(OC(=O)C=C)CC	0.999	0.009	0.067	0.628	0.799	0.518	0.998	0.974	0.884	1.0	0.889
Compound_864	C=Cc1c(C=C)cccc1C=C	0.934	0.262	0.701	0.611	0.053	0.026	0.988	0.95	0.894	0.997	0.582
Compound_865	CCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.826	0.322	0.255	0.415	0.415	0.36	0.993	0.941	0.473	0.995	0.122
Compound_866	CC(=O)NC(C(=O)O)Cc1c[nH]cn1	0.084	0.27	0.066	0.217	0.161	0.688	0.001	0.132	0.194	0.007	0.088
Compound_867	N#CC(=Cc1ccc(cc1)N(CCS(=O)(=O)[O-])C)C(=O)Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-]	0.631	0.679	1.0	0.693	0.647	0.717	0.995	0.957	0.409	0.26	0.514
Compound_868	CCCC[Sn](OC(=O)c1ccccc1)(CCCC)CCCC	0.821	0.292	0.087	0.619	0.905	0.898	0.992	0.841	0.888	0.994	0.69
Compound_869	Fc1c(N)cccc1F	0.936	0.293	0.997	0.605	0.183	0.098	0.986	0.981	0.948	0.99	0.293
Compound_870	OC(=O)C=Cc1ccc(cc1)C	0.856	0.171	0.304	0.404	0.234	0.276	0.974	0.295	0.699	0.624	0.094
Compound_871	C=CCC(Cl)(Cl)[SiH3]	0.931	0.107	0.606	0.723	0.409	0.363	0.995	0.974	0.17	0.999	0.902
Compound_872	CCOC(=O)C=Cc1cc(OC)c(c(c1)OC)OC	0.875	0.321	0.922	0.845	0.669	0.132	0.876	0.846	0.809	0.93	0.634
Compound_873	OC(=O)COc1cccc(c1)C(C)(C)C	0.158	0.183	0.166	0.385	0.264	0.026	0.279	0.098	0.142	0.013	0.033
Compound_874	CCCCCCCCCCCCCCCCC(S(=O)(=O)[O-])C(=O)[O-]	0.777	0.061	0.207	0.414	0.051	0.07	0.946	0.974	0.399	0.966	0.255
Compound_875	CCOCCC(=O)O	0.535	0.126	0.123	0.158	0.103	0.021	0.832	0.039	0.206	0.668	0.375
Compound_876	C1Sc2n(C1)cc(n2)c1ccccc1	0.558	0.593	0.914	0.77	0.267	0.78	0.24	0.897	0.837	0.466	0.282
Compound_877	OC(=O)C(c1ccccc1)(C1CCCCC1)O	0.08	0.394	0.087	0.235	0.221	0.136	0.484	0.081	0.097	0.487	0.226
Compound_878	N#CC(c1ccccn1)c1ccccc1	0.112	0.632	0.488	0.509	0.237	0.464	0.002	0.697	0.851	0.942	0.953
Compound_879	CC(c1c(C(C)C)c(C(C)C)c(c2c1cccc2)S(=O)(=O)[O-])C	0.568	0.592	0.771	0.489	0.637	0.539	0.96	0.965	0.423	0.991	0.128
Compound_880	O=C(Cc1ccccc1)OCC(=CCCC1(C)C2CCC(C1=C)C2)C	0.845	0.759	0.354	0.656	0.43	0.445	0.493	0.99	0.414	0.999	0.884
Compound_881	NCCNCCC[Si](OCC)(OCC)OCC	0.104	0.098	0.062	0.396	0.021	0.101	0.0	0.017	0.078	0.032	0.165
Compound_882	CCC(O[Si](OC(CC)C)(OC(CC)C)OC(CC)C)C	0.771	0.137	0.205	0.51	0.111	0.206	0.999	0.642	0.622	0.984	0.639
Compound_883	Cc1sc2c(c1CC1=NCCN1)cccc2	0.108	0.46	0.239	0.145	0.114	0.198	0.022	0.011	0.546	0.016	0.02
Compound_884	CCCCCCC1OCC(O1)C	0.892	0.313	0.188	0.595	0.069	0.15	0.994	0.965	0.391	0.997	0.837
Compound_885	CC1COC(O1)C=Cc1ccccc1	0.848	0.209	0.875	0.744	0.063	0.571	0.982	0.869	0.416	0.947	0.271
Compound_886	O=C(C(Cc1ccc(cc1)O)N)Nc1ccc2c(c1)cccc2	0.434	0.601	0.955	0.579	0.914	0.964	0.192	0.812	0.628	0.165	0.52
Compound_887	CC1COC(O1)c1ccco1	0.127	0.169	0.494	0.498	0.057	0.31	0.827	0.817	0.407	0.727	0.519
Compound_888	C[n+]1c(C)ccc2c1cccc2	0.685	0.63	0.745	0.703	0.311	0.69	0.316	0.972	0.894	0.606	0.781
Compound_889	OCC#CCOCC(O)C	0.512	0.328	0.111	0.477	0.086	0.608	0.877	0.084	0.268	0.741	0.282
Compound_890	CC(=O)OC1CCCO1	0.788	0.172	0.167	0.543	0.034	0.07	0.999	0.747	0.845	0.7	0.699
Compound_891	CC[SiH](CC)Cl	0.9	0.483	0.407	0.647	0.041	0.231	0.977	0.985	0.899	0.999	0.713
Compound_892	O=C(Nc1ccc(c(c1)C)N=Nc1ccc(cc1)C(=O)Nc1cc(cc(c1O)C(=O)[O-])S(=O)(=O)[O-])Nc1ccc(c(c1)C)N=Nc1ccc(cc1)C(=O)Nc1cc(cc(c1O)C(=O)[O-])S(=O)(=O)[O-]	0.601	0.449	0.996	0.766	0.715	0.671	0.892	0.844	0.391	0.176	0.254
Compound_893	COc1cc(N=Nc2cc(cc3c2cc(cc3)S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1NC(=O)Nc1cc(C)c(cc1OC)N=Nc1cc(cc2c1cc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-])C	0.658	0.604	0.972	0.516	0.748	0.706	0.724	0.975	0.463	0.545	0.284
Compound_894	Cc1ccc(c(c1)C)N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1C)C)S(=O)(=O)[O-]	0.743	0.498	0.991	0.603	0.847	0.747	0.879	0.993	0.502	0.944	0.145
Compound_895	COc1ccccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1C)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.627	0.55	0.993	0.64	0.81	0.705	0.896	0.984	0.442	0.102	0.263
Compound_896	O=C(Nc1ccc2c(c1)cc(c(c2O)N=Nc1cccc(c1)N)S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1cccc(c1)N)S(=O)(=O)[O-]	0.734	0.496	1.0	0.638	0.824	0.702	0.742	0.996	0.462	0.01	0.318
Compound_897	CCOC(=O)c1ccc(cc1)N=N(=O)c1ccc(cc1)C(=O)OCC	0.779	0.701	0.787	0.564	0.482	0.932	0.974	0.162	0.618	0.929	0.671
Compound_898	N#CCCOP(=O)([O-])[O-]	0.919	0.225	0.265	0.552	0.185	0.107	0.963	0.955	0.57	0.085	0.814
Compound_899	OC(=O)c1cc2ccccc2c(c1O)N=Nc1c(O)cc(c2c1cccc2)S(=O)(=O)O	0.544	0.423	0.978	0.499	0.784	0.673	0.745	0.923	0.419	0.314	0.227
Compound_900	CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc2c(c1O)cccc2)c1cc(cc(c1)C(=O)OC)C(=O)OC	0.671	0.884	0.123	0.499	0.813	0.982	0.976	0.206	0.54	0.552	0.462
Compound_901	OCC1CCC=CO1	0.475	0.19	0.037	0.516	0.351	0.238	0.908	0.604	0.305	0.04	0.141
Compound_902	COC(=O)CCC(C1CCC2C1(C)C(O)CC1C2C(OC(=O)C)CC2C1(C)CCC(C2)OC(=O)C)C	0.663	0.865	0.003	0.651	0.877	0.857	0.037	0.752	0.298	0.745	0.525
Compound_903	Cc1cccc2c1oc1c2cccc1C	0.674	0.665	0.957	0.556	0.05	0.689	0.749	0.982	0.536	0.994	0.911
Compound_904	CC1(C)CCCC2(C3C1C1C(C21C)C3)C	0.993	0.544	0.359	0.58	0.515	0.172	0.334	0.9	0.526	0.998	0.459
Compound_905	OCC(CC=C1C2CCC(C1(C)C)C2)C	0.973	0.479	0.058	0.523	0.474	0.196	0.167	0.476	0.358	0.669	0.804
Compound_906	CCOc1ccc2c(c1)sc(n2)N(C)C	0.799	0.798	0.962	0.651	0.374	0.886	0.12	0.655	0.683	0.985	0.757
Compound_907	ClCC(COP(=O)(Cl)Cl)(COP(=O)(Cl)Cl)CCl	0.811	0.384	0.403	0.655	0.5	0.379	0.825	0.998	0.793	0.964	0.719
Compound_908	O=C1C2CC=CC2C1(Cl)Cl	0.958	0.539	0.619	0.711	0.788	0.636	0.963	0.925	0.343	1.0	0.937
Compound_909	[NH3+]C(c1ccccc1)C(=O)Cl	0.393	0.156	0.429	0.622	0.026	0.149	0.14	0.925	0.563	0.99	0.878
Compound_910	O=C1c2c(Br)c(Br)ccc2c2c3c1ccc1c3c(cc2)C(=O)c2c1cccc2	0.953	0.633	0.996	0.774	0.651	0.619	0.994	0.974	0.433	0.98	0.997
Compound_911	O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2S(=O)(=O)[O-])c(=O)c1c(c5=O)cccc1	0.49	0.425	0.954	0.442	0.789	0.719	0.966	0.851	0.382	0.12	0.399
Compound_912	CCC=C(CO)C	0.755	0.166	0.096	0.534	0.084	0.013	0.5	0.362	0.48	0.877	0.937
Compound_913	CC(=O)OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CCC2C(=O)C)C)C	0.903	0.817	0.023	0.516	0.095	0.368	0.066	0.266	0.322	0.982	0.752
Compound_914	C=CC=CC#N	0.96	0.245	0.546	0.636	0.396	0.028	0.993	0.996	0.949	0.997	0.884
Compound_915	Cc1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1nc2c(o1)cccc2	0.416	0.72	1.0	0.776	0.787	0.655	0.808	0.908	0.974	0.916	0.928
Compound_916	OCC1OC(C(C1O)O)N1C=CC(NC1=O)(N)C(=O)C	0.469	0.212	0.016	0.357	0.281	0.134	0.038	0.442	0.292	0.018	0.798
Compound_917	CN([Si](N(C)C)(N(C)C)C)C	0.495	0.09	0.402	0.496	0.148	0.135	0.1	0.473	0.844	0.797	0.391
Compound_918	Oc1cc(cc2c1cccc2)S(=O)(=O)O	0.866	0.437	0.977	0.543	0.859	0.626	0.511	0.947	0.532	0.908	0.306
Compound_919	OC(=O)c1c(C)noc1C	0.4	0.259	0.196	0.185	0.344	0.224	0.44	0.023	0.774	0.061	0.647
Compound_920	Cc1ccc(c(c1)C)N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.653	0.544	0.988	0.543	0.828	0.73	0.962	0.99	0.503	0.756	0.128
Compound_921	OC(c1ccccc1)P(=O)[O-]	0.551	0.181	0.162	0.435	0.33	0.198	0.973	0.082	0.134	0.732	0.647
Compound_922	C=CCOC(=O)C=CC=CC	0.976	0.047	0.676	0.696	0.704	0.351	1.0	0.999	0.685	0.994	0.895
Compound_923	NC(=N)NC1CCCCC1	0.057	0.215	0.124	0.442	0.014	0.89	0.0	0.623	0.234	0.178	0.033
Compound_924	CCCCCCCCC1OC1CCCCCCCC(=O)OC	0.885	0.324	0.119	0.601	0.363	0.144	0.999	0.897	0.261	0.996	0.815
Compound_925	Cc1cc(O)n2c(n1)ncn2	0.436	0.47	0.111	0.422	0.438	0.596	0.003	0.231	0.153	0.376	0.44
Compound_926	CC1NCCc2c1[nH]c1c2cccc1	0.37	0.514	0.602	0.336	0.366	0.673	0.001	0.025	0.48	0.003	0.411
Compound_927	CCCC[Sn](OC(=O)C(Cl)(Cl)Cl)(CCCC)CCCC	0.941	0.219	0.211	0.752	0.879	0.893	0.999	0.995	0.345	0.998	0.711
Compound_928	C[Si]([Si](Cl)(C)C)(Cl)C	0.901	0.242	0.428	0.624	0.285	0.531	0.974	0.952	0.941	0.992	0.641
Compound_929	Clc1c(Cl)ccc2c1c(OS(=O)(=O)[O-])c1ccc3c4c1c2ccc4c1c2c3ccc3c2c(cc1)c(c1c3cccc1)OS(=O)(=O)[O-]	0.925	0.714	0.986	0.574	0.938	0.866	0.545	0.979	0.584	0.988	0.421
Compound_930	CCn1c2cc3oc4c(Cl)c5nc6cc7c(cc6oc5c(c4nc3cc2c2c1cc(c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)n(c1c7cccc1)CC	0.718	0.515	0.894	0.471	0.709	0.652	0.988	0.803	0.358	0.943	0.482
Compound_931	Oc1c(N=Nc2ccccc2C(=O)[O-])c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.728	0.508	0.99	0.583	0.661	0.683	0.94	0.993	0.462	0.371	0.188
Compound_932	C=CCOc1cc(Cl)ccc1C(=O)NCCN(CC)CC	0.063	0.46	0.549	0.312	0.09	0.441	0.005	0.362	0.206	0.304	0.086
Compound_933	c1ccc(cc1)P(c1ccccc1)C#CP(c1ccccc1)c1ccccc1	0.71	0.487	0.759	0.49	0.969	0.559	0.999	0.848	0.897	0.998	0.764
Compound_934	N#N=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)[O-]	0.813	0.63	0.815	0.543	0.022	0.48	0.659	0.665	0.415	0.41	0.159
Compound_935	CCCOP1(=NP(=NP(=N1)(OCCC)OCCC)(OCCC)OCCC)OCCC	0.653	0.355	0.421	0.65	0.439	0.487	0.981	0.962	0.656	0.703	0.592
Compound_936	CN(P(=O)(N(C)C)C)C	0.62	0.067	0.336	0.49	0.465	0.131	0.072	0.262	0.787	0.833	0.544
Compound_937	COC(=O)C1CSC(=N1)C	0.096	0.476	0.278	0.656	0.143	0.041	0.278	0.525	0.251	0.104	0.668
Compound_938	COP(=S)(Cl)Cl	0.774	0.22	0.407	0.643	0.514	0.114	0.987	0.999	0.885	0.999	0.716
Compound_939	CCCCCC(=Cc1ccccc1)COC(=O)C	0.942	0.262	0.686	0.68	0.224	0.191	0.994	0.979	0.892	1.0	0.865
Compound_940	C=CCOC(=O)C1CC=CCC1C(=O)OCC=C	0.904	0.196	0.276	0.669	0.526	0.274	0.827	0.992	0.741	1.0	0.834
Compound_941	C#CC[n+]1ccccc1	0.72	0.201	0.684	0.548	0.053	0.536	0.171	0.989	0.79	0.836	0.354
Compound_942	Cc1[nH]c(C)nc(=O)c1	0.279	0.364	0.31	0.481	0.21	0.015	0.024	0.177	0.857	0.014	0.151
Compound_943	ClCc1c(C)ccc2c1cccc2	0.962	0.414	0.935	0.657	0.441	0.538	0.984	0.975	0.971	0.995	0.987
Compound_944	O=c1nc(N)[nH]c(c1C)O	0.045	0.383	0.24	0.427	0.066	0.01	0.046	0.051	0.337	0.001	0.5
Compound_945	OCC1C(=CCCC1(C)C)C	0.962	0.268	0.135	0.556	0.199	0.085	0.424	0.485	0.465	0.223	0.703
Compound_946	NC(=O)CC(C(=O)O)NC(=O)C(Br)C	0.01	0.108	0.004	0.262	0.579	0.114	0.002	0.789	0.334	0.005	0.09
Compound_947	CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCCC(CCCC(C)C)C	0.716	0.585	0.125	0.375	0.491	0.135	0.742	0.125	0.338	0.972	0.601
Compound_948	ClCCOP(=O)(OC(P(=O)(OC(P(=O)(OCCCl)OCCCl)C)OCCCl)C)CCCl	0.65	0.253	0.121	0.633	0.687	0.435	0.972	0.988	0.894	0.948	0.755
Compound_949	CCCC1OCC(O1)C	0.77	0.195	0.172	0.576	0.04	0.083	0.994	0.87	0.423	0.996	0.773
Compound_950	ClCC(COCC#CCOCC(CCl)O)O	0.668	0.184	0.047	0.527	0.28	0.777	0.511	0.414	0.511	0.849	0.786
Compound_951	CC(COCC#CCOCC(O)C)O	0.542	0.182	0.046	0.475	0.171	0.766	0.344	0.037	0.329	0.72	0.299
Compound_952	CC=COCC1CO1	0.697	0.149	0.808	0.635	0.564	0.067	0.927	0.877	0.935	0.996	0.927
Compound_953	BrC(=C(c1ccccc1)c1ccccc1)c1ccccc1	0.846	0.631	0.799	0.663	0.722	0.743	1.0	0.942	0.943	0.999	0.977
Compound_954	CCOC(OC(=O)C)C	0.773	0.02	0.616	0.526	0.033	0.032	0.97	0.48	0.716	0.78	0.863
Compound_955	c1ccc(cc1)n1nnnc1SSc1nnnn1c1ccccc1	0.625	0.457	0.836	0.448	0.603	0.838	0.228	0.095	0.932	0.633	0.676
Compound_956	[O-]C(=C)C	0.876	0.243	0.44	0.582	0.07	0.002	0.952	0.94	0.745	0.999	0.96
Compound_957	OC(C(c1ccccn1)O)c1ccccn1	0.043	0.705	0.179	0.456	0.059	0.43	0.008	0.639	0.612	0.074	0.917
Compound_958	CCC(C1(CC(=C)Br)C(=O)NC(=O)NC1=O)C	0.323	0.526	0.069	0.364	0.288	0.089	0.004	0.968	0.285	0.561	0.413
Compound_959	ClCC(=O)NC(C(=O)O)Cc1ccc(cc1)O	0.133	0.267	0.034	0.354	0.808	0.131	0.017	0.838	0.403	0.138	0.108
Compound_960	CCOP(=O)(Cc1ccc(cc1)OC)OCC	0.804	0.459	0.792	0.696	0.625	0.429	0.972	0.081	0.408	0.984	0.613
Compound_961	ClCC1COC(O1)(C)C	0.757	0.143	0.323	0.655	0.084	0.086	0.999	0.994	0.484	0.756	0.903
Compound_962	O=Cc1ccnc2c1cccc2	0.685	0.621	0.763	0.55	0.081	0.236	0.019	0.426	0.767	0.902	0.982
Compound_963	COCC(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2	0.662	0.577	0.863	0.534	0.194	0.659	0.982	0.415	0.577	0.486	0.762
Compound_964	CSCCC1NC(=S)N(C1=O)c1ccccc1	0.45	0.486	0.22	0.429	0.201	0.55	0.006	0.124	0.381	0.401	0.086
Compound_965	OC(=O)C=Cc1ccccc1C(F)(F)F	0.865	0.239	0.264	0.433	0.6	0.137	0.998	0.861	0.342	0.944	0.68
Compound_966	ON=Cc1ccccc1N(=O)=O	0.843	0.279	0.858	0.563	0.135	0.11	0.979	0.98	0.526	0.965	0.854
Compound_967	Oc1cccnc1Cl	0.43	0.201	0.753	0.574	0.132	0.228	0.069	0.836	0.764	0.973	0.878
Compound_968	Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)[O-])O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)[O-]	0.526	0.386	0.993	0.608	0.733	0.69	0.926	0.979	0.353	0.461	0.121
Compound_969	CCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCC)O	0.955	0.069	0.04	0.421	0.159	0.122	0.988	0.028	0.666	0.892	0.446
Compound_970	CC(Cc1ccc(c(c1)Cl)Cl)N	0.125	0.101	0.67	0.474	0.06	0.347	0.015	0.184	0.571	0.623	0.034
Compound_971	CNC(=N)NC#N	0.198	0.215	0.493	0.42	0.179	0.152	0.0	0.876	0.771	0.373	0.344
Compound_972	OC(=O)C=CCl	0.723	0.049	0.047	0.476	0.803	0.157	0.997	0.989	0.858	0.818	0.957
Compound_973	C[Si](Nc1ccccc1)(C)C	0.826	0.314	0.728	0.578	0.128	0.433	0.994	0.904	0.91	0.796	0.283
Compound_974	CN(S(=O)N(C)C)C	0.513	0.1	0.27	0.471	0.143	0.049	0.129	0.07	0.632	1.0	0.643
Compound_975	CC(CC)CC=C	0.912	0.079	0.251	0.587	0.146	0.002	0.979	0.933	0.387	0.999	0.848
Compound_976	Oc1c(Cl)cc(cc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)N(=O)=O	0.851	0.398	0.993	0.562	0.737	0.667	0.665	0.946	0.445	0.768	0.481
Compound_977	Oc1ccc2c(c1N=Nc1nccs1)cccc2	0.82	0.751	0.843	0.665	0.407	0.748	0.442	0.972	0.717	0.967	0.511
Compound_978	Oc1ccccc1N=CC=Nc1ccccc1O	0.526	0.775	0.769	0.652	0.72	0.409	0.796	0.814	0.643	0.955	0.967
Compound_979	CC(C(C(=O)O)NC(=O)OCc1ccccc1)C	0.029	0.261	0.08	0.222	0.04	0.077	0.018	0.705	0.276	0.013	0.092
Compound_980	CC(=O)OCC=C1CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C	0.978	1.0	0.042	0.844	0.932	0.982	0.05	0.589	0.288	0.901	0.069
Compound_981	CCCCC(N)C	0.136	0.015	0.1	0.412	0.009	0.049	0.002	0.071	0.77	0.498	0.076
Compound_982	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_983	CC(=O)OC1CCC2(C(C1(C)C)CCC1(C2CCC2C1(C)CCC1(C2C(CC1)C(=C)C)C)C)C	0.964	0.93	0.039	0.55	0.978	0.808	0.142	0.934	0.722	1.0	0.753
Compound_984	CC(C1OCc2c(CO1)cnc(c2O)C)C	0.384	0.528	0.189	0.345	0.129	0.439	0.008	0.068	0.427	0.909	0.337
Compound_985	CN1CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F	0.021	0.39	0.044	0.234	0.004	0.044	-0.0	0.063	0.303	0.006	0.047
Compound_986	O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c2c3ccc3c2c(cc1)c1c(c3=O)cccc1	0.682	0.739	0.993	0.663	0.919	0.886	0.956	0.769	0.489	0.276	0.968
Compound_987	CCCCc1ccc(c(c1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1cc(CCCC)ccc1S(=O)(=O)O)S(=O)(=O)O	0.475	0.5	0.577	0.37	0.902	0.625	0.899	0.622	0.397	0.313	0.358
Compound_988	OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)CCC(=O)O	0.068	0.226	0.006	0.088	0.133	0.091	0.001	0.013	0.468	0.009	0.069
Compound_989	OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)Cl	0.975	1.0	0.052	0.981	0.815	0.909	0.214	0.006	0.177	0.122	0.083
Compound_990	OC(c1ccccc1)CN1CCSC1=N	0.022	0.42	0.191	0.368	0.013	0.255	0.015	0.012	0.299	0.23	0.051
Compound_991	OS(=O)(=O)c1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O	0.802	0.436	0.98	0.536	0.656	0.69	0.827	0.857	0.49	0.885	0.115
Compound_992	COc1ccc(cc1)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1OCC(=O)[O-])c1ccc(c(c1)OCC(=O)[O-])N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1ccc(cc1)OC)S(=O)(=O)[O-]	0.645	0.569	0.967	0.728	0.826	0.691	0.952	0.998	0.442	0.557	0.214
Compound_993	CCOC(=O)C(c1ccccc1)C	0.332	0.115	0.758	0.584	0.049	0.019	0.963	0.081	0.201	0.553	0.468
Compound_994	CCCCCCC1C=CC(=O)O1	1.0	0.341	0.1	0.609	0.688	0.296	0.994	0.986	0.944	1.0	0.749
Compound_995	CO[Si](CCC#N)(OC)OC	0.943	0.063	0.13	0.524	0.133	0.165	0.983	0.958	0.692	0.01	0.751
Compound_996	CC(CC#N)O	0.826	0.087	0.027	0.488	0.119	0.038	0.841	0.486	0.333	0.129	0.653
Compound_997	CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC	0.794	0.832	0.314	0.665	0.04	0.774	0.99	0.834	0.913	0.635	0.262
Compound_998	COC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3	0.411	0.659	0.397	0.134	0.264	0.647	0.902	0.083	0.096	0.012	0.301
Compound_999	N#Cc1c(C)c(C)c(c(c1C)C)C	0.812	0.119	0.702	0.528	0.289	0.033	0.964	0.514	0.939	0.957	0.755
Compound_1000	O=N(=O)c1cccc2c1OC1(C=C2)N(C)c2c(C1(C)C)cccc2	0.661	0.713	0.21	0.611	0.877	0.874	0.944	0.976	0.699	0.995	0.667