Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	N#Cc1cc(F)ccc1Cl	0.988	0.143	0.87	0.692	0.686	0.089	0.996	0.849	0.841	0.994	0.876
Compound_2	CCN(c1ccc(cc1)C=Cc1cccc[n+]1CC)CC	0.554	0.705	0.72	0.641	0.147	0.902	0.01	0.959	0.934	0.58	0.545
Compound_3	O(CN(c1ccccc1)c1ccccc1)CN(c1ccccc1)c1ccccc1	0.889	0.673	0.915	0.606	0.963	0.949	0.753	0.916	0.34	0.995	0.673
Compound_4	c1ccc(c(c1)Cc1ccc(cc1)OCC1CO1)OCC1CO1	0.171	0.591	0.694	0.682	0.95	0.682	0.926	0.988	0.713	0.996	0.995
Compound_5	CCOC(OCCCC#CCO)C	0.819	0.158	0.365	0.527	0.08	0.814	0.863	0.359	0.285	0.676	0.487
Compound_6	CCOC(OCCCC=CCO)C	0.675	0.181	0.164	0.578	0.304	0.264	0.782	0.869	0.309	0.888	0.831
Compound_7	NC(=O)CCC1NC(=S)N(C1=O)c1ccccc1	0.317	0.298	0.028	0.209	0.121	0.529	0.003	0.01	0.398	0.02	0.279
Compound_8	Oc1cc(C)c(c(c1C1CCCCC1)C)I	0.569	0.396	0.254	0.68	0.627	0.359	0.152	0.465	0.556	0.953	0.568
Compound_9	CC(Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C)C	0.435	0.718	0.957	0.595	0.85	0.254	0.839	0.97	0.295	0.906	0.996
Compound_10	CCCCCCCCC=CCCCCCCCC(=O)NC(C)C	0.523	0.014	0.107	0.418	0.041	0.312	0.536	0.726	0.204	0.981	0.279
Compound_11	CCN1C(=S)OCC1=O	0.071	0.406	0.223	0.624	0.002	0.275	0.298	0.132	0.409	0.994	0.471
Compound_12	Clc1ccc(cc1)C(=O)C=Cc1cc(Cl)ccc1c1cccs1	0.895	0.666	0.909	0.777	0.76	0.86	0.997	0.85	0.621	0.984	0.55
Compound_13	ClCC1CNC(=O)O1	0.092	0.227	0.415	0.349	0.058	0.029	0.044	0.995	0.483	0.017	0.248
Compound_14	OCC1CC2CC1C1C2CCC1	0.928	0.252	0.059	0.361	0.51	0.777	0.137	0.167	0.293	0.494	0.358
Compound_15	CC1CNCCC1(Nc1ccccc1)C(=O)N	0.06	0.473	0.014	0.208	0.03	0.037	0.0	0.099	0.209	0.003	0.121
Compound_16	OCCOCCOCCOC(=O)CCCCC(=O)O	0.517	0.11	0.04	0.356	0.137	0.223	0.051	0.132	0.322	0.613	0.367
Compound_17	CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CC	0.894	0.061	0.139	0.726	0.117	0.188	0.763	0.587	0.118	0.855	0.565
Compound_18	N#N=Nc1ccc(c(c1)C(=O)OC)Nc1ccc(cc1)OC	0.636	0.884	0.816	0.655	0.616	0.681	0.931	0.183	0.667	0.693	0.478
Compound_19	OC(=O)c1ccc(cc1)N1N=C(C(=CC=CC=Cc2c(C)nn(c2O)c2ccc(cc2)C(=O)O)C1=O)C	0.74	0.691	0.884	0.514	0.824	0.625	0.75	0.981	0.4	0.934	0.336
Compound_20	Oc1ccc(c(c1)N)O	0.731	0.444	0.985	0.568	0.517	0.131	0.996	0.326	0.794	0.22	0.952
Compound_21	N#Cc1c(O)cc(=O)[nH]c1C	0.415	0.385	0.318	0.518	0.769	0.179	0.243	0.079	0.613	0.018	0.635
Compound_22	CCn1c(=CC2=CC(=CC=CC3=CC(=Cc4sc5c([n+]4CC)cccc5)CC(C3)(C)C)CC(C2)(C)C)sc2c1cccc2	0.806	0.714	0.951	0.648	0.625	0.878	0.924	0.982	0.958	0.997	0.809
Compound_23	Cc1nccnc1CCC	0.158	0.564	0.37	0.474	0.138	0.214	0.02	0.242	0.886	0.065	0.573
Compound_24	CCCCCCCCCCCCCCCC=CCC(C(=O)[O-])CC(=O)[O-]	0.972	0.04	0.132	0.351	0.419	0.055	0.998	0.839	0.804	1.0	0.941
Compound_25	O=C(OCC(=C)C)OCC(=C)C	0.808	0.177	0.227	0.561	0.254	0.051	0.993	0.93	0.743	1.0	0.484
Compound_26	CCCCCCCCN(CCC(=O)NC(CS(=O)(=O)[O-])(C)C)CCC(=O)NC(CS(=O)(=O)[O-])(C)C	0.33	0.298	0.013	0.272	0.028	0.459	0.172	0.654	0.381	0.811	0.346
Compound_27	CCC(=O)C=CC1C(=C)CCCC1(C)C	0.99	0.211	0.875	0.727	0.512	0.063	0.393	0.975	0.477	1.0	0.915
Compound_28	COc1ccc(cc1N=Nc1cc(OC)c(cc1C)[N+]#N)S(=O)(=O)O	0.569	0.491	0.956	0.469	0.555	0.64	0.887	0.093	0.46	0.908	0.159
Compound_29	CC1COC(O1)C(C)C	0.73	0.159	0.218	0.518	0.04	0.067	0.974	0.815	0.351	0.926	0.669
Compound_30	CCC(C(=O)OCC=Cc1ccccc1)C	0.904	0.141	0.426	0.745	0.15	0.121	0.982	0.837	0.683	0.998	0.589
Compound_31	O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COC(=O)C1CC1)C)C	0.926	1.0	0.012	0.995	0.948	0.863	0.957	0.034	0.374	0.433	0.107
Compound_32	OCCCCCCCCCCCCC(C)C	0.928	0.097	0.477	0.527	0.058	0.087	0.902	0.164	0.06	0.264	0.356
Compound_33	CCOC(=O)C(=CC1CC2CC1C=C2)C#N	0.975	0.513	0.075	0.736	0.928	0.279	0.932	0.997	0.459	0.877	0.956
Compound_34	CCCC[Sn]1(CCCC)OS(=O)(=O)O1	0.93	0.383	0.199	0.511	0.804	0.784	0.996	0.971	0.458	0.971	0.606
Compound_35	ClC(C(Cl)(Cl)F)(SN(S(=O)(=O)C)c1ccccc1)Cl	0.707	0.337	0.961	0.72	0.912	0.941	1.0	0.975	0.288	0.984	0.875
Compound_36	CCCCCCC(CC=CCCCCCCCC(=O)NCCOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-])O	0.336	0.109	0.005	0.384	0.115	0.369	0.04	0.986	0.408	0.432	0.372
Compound_37	CCOC(=O)C1CC(=C(C1=O)O)C(=O)OCC	0.748	0.438	0.194	0.649	0.061	0.128	0.918	0.573	0.377	0.947	0.553
Compound_38	CCC(c1ccc(cc1)CC(C)C)C(=O)OCCOCC[NH+](CC)CC	0.061	0.334	0.019	0.525	0.024	0.029	0.086	0.118	0.337	0.066	0.056
Compound_39	Cc1cc(ccc1C)C(c1ccccc1)(CCc1ccccc1)C	0.74	0.488	0.49	0.573	0.82	0.84	0.973	0.747	0.73	0.994	0.668
Compound_40	CN1CCc2c(C1Cc1ccc(c(c1)O)O)cc(c(c2)O)O	0.124	0.618	0.345	0.333	0.372	0.321	0.0	0.404	0.137	0.149	0.152
Compound_41	CCN(C(=O)C1CC(C)CCC1C(C)C)CC	0.868	0.296	0.219	0.462	0.01	0.146	0.006	0.095	0.371	0.971	0.113
Compound_42	CCCc1scnc1CC	0.46	0.551	0.226	0.438	0.063	0.757	0.953	0.253	0.86	0.853	0.736
Compound_43	FP(=O)(F)F	0.822	0.217	0.407	0.636	0.651	0.053	0.706	0.999	0.952	1.0	0.71
Compound_44	CCN(c1ccc(cc1)N=Nc1nnc[nH]1)Cc1ccccc1	0.399	0.776	0.804	0.395	0.234	0.734	0.263	0.604	0.824	0.752	0.538
Compound_45	OCCN(c1ccc(c(c1)C)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CCO	0.794	0.467	0.678	0.678	0.655	0.777	0.833	0.639	0.483	0.62	0.692
Compound_46	ON=C1C(=N)N(C)C(=O)N(C1=O)C	0.121	0.262	0.677	0.491	0.041	0.378	0.001	0.32	0.511	0.021	0.343
Compound_47	COC(=N)CCCCCC(=N)OC	0.78	0.129	0.291	0.532	0.035	0.026	0.653	0.862	0.492	0.139	0.267
Compound_48	OC(=O)c1cccc2c1N=CC2=c1oc(=O)c2c3c1cccc3ccc2	0.668	0.737	0.912	0.411	0.757	0.66	0.983	0.346	0.573	0.184	0.848
Compound_49	O=C1c2c(CC1(C)c1ccccc1)cc(c(c2Cl)Cl)O	0.682	0.708	0.878	0.725	0.952	0.887	0.726	0.941	0.394	0.986	0.973
Compound_50	O=C1CCCCC(O1)C(C)(C)C	0.917	0.241	0.104	0.543	0.329	0.046	0.975	0.221	0.132	0.995	0.591
Compound_51	CC(=CCC1C(=CCC(C1C(=O)OC(=O)C1C(CC=C(C1CC=C(C)C)C)C(=O)O)C(=O)O)C)C	0.623	0.47	0.098	0.334	0.592	0.489	0.54	0.998	0.766	0.963	0.896
Compound_52	NNC(C)C	0.195	0.062	0.323	0.518	0.085	0.234	0.002	0.654	0.312	0.692	0.211
Compound_53	OCC1OC(Oc2cc(O)cc3c2cc(OC2OC(CO)C(C(C2O)O)O)c([o+]3)c2cc(OC)c(c(c2)OC)O)C(C(C1O)O)O	0.337	0.556	0.308	0.469	0.802	0.693	0.249	0.946	0.675	0.218	0.773
Compound_54	COC(=O)C(CSCc1ccccc1)N	0.262	0.241	0.352	0.448	0.114	0.022	0.009	0.012	0.22	0.023	0.056
Compound_55	C=CC1=NCCN1	0.027	0.373	0.334	0.396	0.039	0.018	0.0	0.247	0.375	0.006	0.32
Compound_56	CCCCCCCCC=CCCCCCCCC(=O)OC(=O)c1ccccc1C(=O)OC(=O)CCCCCCCC=CCCCCCCCC	0.971	0.241	0.876	0.657	0.133	0.114	0.993	0.963	0.317	0.999	0.802
Compound_57	CCCCCCCCOP(=O)(Oc1ccccc1)O	0.908	0.396	0.505	0.484	0.415	0.027	0.984	0.025	0.703	0.632	0.435
Compound_58	O=C=NC1CCC(C(C1)N=C=O)C	0.897	0.385	0.286	0.532	0.059	0.391	0.104	0.334	0.524	0.84	0.248
Compound_59	CC(=O)CCC1C(=O)CCC2C1CCC1(C2CCC1O)C	0.862	0.94	0.014	0.703	0.093	0.119	0.013	0.5	0.346	0.754	0.33
Compound_60	CC(COC=O)O	0.562	0.014	0.053	0.492	0.072	0.179	0.862	0.057	0.306	0.141	0.211
Compound_61	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)OC(CCCCCC)C	0.909	0.719	0.85	0.738	0.918	0.89	0.987	0.919	0.754	0.964	0.944
Compound_62	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)OCC(CC)C	0.873	0.657	0.881	0.651	0.909	0.884	0.985	0.664	0.803	0.995	0.932
Compound_63	COCC(C(=O)O)(C)C	0.569	0.005	0.078	0.219	0.093	0.02	0.784	0.118	0.297	0.02	0.425
Compound_64	CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CCO	0.036	0.105	0.01	0.076	0.016	0.195	0.006	0.083	0.449	0.015	0.135
Compound_65	CC[n+]1c(C=C2C=C(C=c3sc4c(n3CCCS(=O)(=O)[O-])cccc4)CC(C2)(C)C)sc2c1cccc2	0.674	0.629	0.563	0.577	0.438	0.704	0.361	0.974	0.37	0.339	0.517
Compound_66	ClCCC=C(c1ccc(cc1)Cl)C	0.898	0.37	0.529	0.74	0.604	0.675	0.995	0.94	0.844	0.964	0.524
Compound_67	O=C(c1cccc(c1)N(=O)=O)CCN1CCCCCC1	0.704	0.349	0.134	0.26	0.295	0.263	0.106	0.907	0.406	0.633	0.481
Compound_68	CN1CCC2=C(C1)c1ccccc1Cc1c2cccc1	0.177	0.567	0.016	0.102	0.183	0.492	0.049	0.007	0.639	0.005	0.035
Compound_69	NCCNCC[SiH2]C(OC)OC	0.186	0.082	0.016	0.363	0.009	0.288	0.0	0.027	0.096	0.035	0.109
Compound_70	O=CNc1scc(n1)C(=NOC)C(=O)OCC	0.25	0.434	0.703	0.53	0.061	0.626	0.165	0.671	0.431	0.295	0.665
Compound_71	CN(c1ccc(cc1)C1OC(=O)c2c1ccc(c2)N(C)C)C	0.897	0.722	0.988	0.562	0.528	0.803	0.994	0.092	0.558	0.835	0.865
Compound_72	OC(COc1ccc(cc1)OCc1ccccc1)CNC(C)C	0.02	0.499	0.005	0.155	0.374	0.208	0.085	0.004	0.238	0.015	0.024
Compound_73	N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccc(cc1)F	0.276	0.558	0.288	0.124	0.579	0.604	0.017	0.491	0.605	0.053	0.555
Compound_74	CCC(=O)N(C1(CCN(CC1)Cc1ccccc1)C(=O)OC)c1ccccc1	0.733	0.713	0.103	0.133	0.274	0.245	0.03	0.323	0.341	0.008	0.244
Compound_75	NC(=O)C1(CCN(CC1C)CCc1ccccc1)Nc1ccccc1	0.059	0.525	0.009	0.101	0.116	0.321	0.004	0.05	0.29	0.039	0.404
Compound_76	N#CC1CN1C(N1CC1C(=O)N)(C)C	0.035	0.346	0.004	0.094	0.874	0.732	0.002	0.036	0.374	0.015	0.446
Compound_77	CCCCCCCCCC=CCC(C(=O)OC)CC(=O)[O-]	0.954	0.036	0.108	0.388	0.411	0.039	0.998	0.981	0.806	0.999	0.972
Compound_78	CCCCCCCCCC(=O)OCC(CO)(CO)CC	0.894	0.061	0.139	0.726	0.117	0.188	0.763	0.587	0.118	0.855	0.565
Compound_79	CCCCCCCCCCCC(=O)OCC(CO)(CO)CC	0.894	0.061	0.139	0.726	0.117	0.188	0.763	0.587	0.118	0.855	0.565
Compound_80	COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)OC)C(=C4)C)C(=C3)C	0.618	0.532	0.87	0.615	0.591	0.664	0.522	0.984	0.311	0.136	0.735
Compound_81	OCC1OC(SC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O	0.56	0.457	0.076	0.445	0.448	0.519	0.101	0.35	0.614	0.414	0.173
Compound_82	CC(c1ccccc1Cl)O	0.317	0.07	0.694	0.544	0.376	0.159	0.828	0.147	0.429	0.982	0.652
Compound_83	C[Si]([Si](Cl)(C)C)(Cl)Cl	0.888	0.248	0.721	0.639	0.381	0.537	0.958	0.678	0.941	0.993	0.634
Compound_84	C[Si](CC[Si](Cl)(C)C)(Cl)C	0.848	0.484	0.247	0.617	0.078	0.466	0.971	0.93	0.889	0.96	0.571
Compound_85	[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.082	0.17	1.0	0.961	0.798	1.0	0.908
Compound_86	[O-]CCCCCCCCCCCCCCCCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.082	0.17	1.0	0.961	0.798	1.0	0.908
Compound_87	[O-]CCCCCCCCCCCCCCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.082	0.17	1.0	0.961	0.798	1.0	0.908
Compound_88	[O-]CCCCCCCCCCCCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.082	0.17	1.0	0.961	0.798	1.0	0.908
Compound_89	[O-]CCCCCCCCCCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.082	0.17	1.0	0.961	0.798	1.0	0.908
Compound_90	O=C1NCN(C21CCNCC2)c1ccc(cc1)F	0.12	0.678	0.016	0.164	0.374	0.387	0.0	0.206	0.578	0.008	0.063
Compound_91	CC(C(c1ccccc1)(Cc1ccccc1)O)[NH3+]	0.002	0.514	0.126	0.524	0.067	0.301	0.007	0.325	0.12	0.01	0.545
Compound_92	CCCCCCCCC(S(=O)(=O)O)CCCCCCCCC(=O)OC	0.668	0.038	0.116	0.374	0.131	0.224	0.925	0.724	0.376	0.819	0.261
Compound_93	COc1ccc2c(c1)oc(n2)C1N(C)c2c([NH+]1C)cccc2	0.225	0.736	0.982	0.407	0.694	0.619	0.146	0.779	0.729	0.994	0.804
Compound_94	ClCCC(OC)(OC)[SiH3]	0.913	0.046	0.183	0.691	0.158	0.264	1.0	0.994	0.81	0.4	0.95
Compound_95	CCCC[Sn](Cl)(O)O	0.829	0.265	0.148	0.644	0.831	0.899	0.995	0.816	0.855	0.408	0.699
Compound_96	[O-]C(=O)COc1cc(OCC(=O)[O-])c2c(c1)oc(cc2=O)c1ccccc1	0.787	0.67	0.911	0.738	0.855	0.547	0.999	0.966	0.708	0.549	0.991
Compound_97	CCCCCCCCC(S(=O)(=O)O)C(=O)OC	0.571	0.048	0.054	0.373	0.108	0.158	0.652	0.66	0.406	0.664	0.254
Compound_98	CCCCCCCCC=CCCCCCCC(S(=O)(=O)O)C(=O)OC	0.76	0.101	0.087	0.43	0.336	0.274	0.928	0.959	0.412	0.971	0.249
Compound_99	OC(=O)c1ccc(cc1)N1N=C(C(=Cc2c(C)nn(c2O)c2ccc(cc2)C(=O)O)C1=O)C	0.632	0.691	0.428	0.391	0.824	0.625	0.75	0.852	0.399	0.934	0.336
Compound_100	O=N(=O)c1c(F)cccc1Cl	1.0	0.213	0.906	0.631	0.38	0.116	1.0	0.985	0.813	0.999	0.928
Compound_101	CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)C	0.992	0.52	0.607	0.706	0.305	0.348	1.0	0.972	1.003	0.995	0.747
Compound_102	CCO[Si](OCC)(C=C)C=C	0.869	0.072	0.798	0.679	0.198	0.121	0.984	0.981	0.44	1.0	0.931
Compound_103	C=CC1CC2CC1C(=C2)C	0.984	0.455	0.186	0.502	0.59	0.04	0.62	0.995	0.437	0.997	0.873
Compound_104	Oc1cc(ccc1N=Nc1c(O)ccc2c1c(ccc2)NS(=O)(=O)C)S(=O)(=O)N	0.331	0.403	0.061	0.34	0.769	0.714	0.095	0.07	0.399	0.145	0.356
Compound_105	CC(CCC(=O)O)O	0.276	0.041	0.045	0.102	0.039	0.017	0.918	0.329	0.043	0.01	0.019
Compound_106	BrCC(=O)N(c1ccc(cc1C(=O)c1ccccc1)Cl)CC(F)(F)F	0.736	0.467	0.724	0.751	0.796	0.746	0.967	0.946	0.541	0.954	0.848
Compound_107	CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.871	0.012	0.147	0.702	0.151	0.063	0.998	0.401	0.229	0.997	0.905
Compound_108	CCCCCS(=O)(=O)[O-]	0.691	0.108	0.207	0.389	0.027	0.043	0.991	0.957	0.252	0.996	0.264
Compound_109	CC(OC(=O)C=CC(=O)O)COC(=O)C(=C)C	0.936	0.094	0.055	0.533	0.78	0.247	0.983	0.987	0.817	0.731	0.872
Compound_110	CCCC1CCC(CC1)c1ccc(cc1)C#N	0.968	0.32	0.145	0.517	0.753	0.157	0.754	0.47	0.721	0.983	0.901
Compound_111	CCCCCC1CCC(CC1)c1ccc(cc1)C#N	0.968	0.33	0.145	0.517	0.753	0.157	0.754	0.663	0.831	0.988	0.9
Compound_112	CCCCCCC1CCC(CC1)c1ccc(cc1)C#N	0.968	0.33	0.145	0.517	0.753	0.157	0.754	0.663	0.857	0.988	0.9
Compound_113	Cc1ccc(cc1)c1ncccc1C	0.679	0.562	0.872	0.755	0.098	0.441	0.006	0.586	0.715	0.173	0.679
Compound_114	O=C1NC2(OC31CC(C)(C)NC(C3)(C)C)CC(C)(C)NC(C2)(C)C	0.106	0.669	0.002	0.328	0.01	0.346	0.007	0.01	0.303	0.725	0.189
Compound_115	CCCCCCCCC1OC(=O)C(C1)(Cl)Cl	0.935	0.478	0.178	0.717	0.246	0.6	0.999	0.955	0.511	0.999	0.853
Compound_116	S=c1nn[nH]n1CS(=O)(=O)O	0.221	0.256	0.011	0.24	0.414	0.456	0.003	0.007	0.526	0.009	0.394
Compound_117	CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.14	0.149	0.993	0.27	0.756	0.995	0.825
Compound_118	CC(N(C(=O)C(N)C)C(=O)OCc1ccccc1)C(=O)O	0.015	0.276	0.057	0.17	0.016	0.02	0.001	0.089	0.095	0.013	0.19
Compound_119	O=COC1(C)CCC(CC1)C(=C)C	0.943	0.296	0.065	0.518	0.25	0.145	0.773	0.923	0.581	0.999	0.724
Compound_120	CCCC(=O)C(CC(=O)OCC)C	0.742	0.018	0.359	0.634	0.06	0.034	0.983	0.623	0.268	0.99	0.905
Compound_121	CCOc1cc(NC(=O)c2ccccc2)c(cc1N=NN(CC(=O)[O-])C)OCC	0.597	0.696	0.927	0.722	0.553	0.448	0.304	0.919	0.321	0.409	0.291
Compound_122	CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-]	0.793	0.541	0.977	0.553	0.766	0.707	0.834	0.984	0.481	0.147	0.188
Compound_123	COC(CCCC(C1CCC(=O)O1)C)(C)C	0.866	0.407	0.007	0.504	0.127	0.054	0.973	0.173	0.304	0.966	0.715
Compound_124	CCCCCCCCCCCC(=O)NC(C(=O)OC)CCCNC(=N)N	0.105	0.107	0.051	0.342	0.04	0.313	0.17	0.137	0.309	0.024	0.058
Compound_125	CCCC[N+](CCC)(CCC)CCC	0.296	0.832	0.293	0.634	0.028	0.08	0.01	0.437	0.799	0.635	0.262
Compound_126	CCCC1CCCOC1=O	0.824	0.223	0.158	0.668	0.05	0.014	0.987	0.423	0.615	0.972	0.253
Compound_127	CCCCCCCCCCCCCC1OC(=O)C(=C1C(=O)O)C	0.888	0.48	0.032	0.281	0.38	0.239	0.989	0.394	0.621	0.97	0.836
Compound_128	CC(C(CC(C)(C)C)C)C	0.949	0.034	0.18	0.457	0.116	0.023	0.907	0.481	0.757	0.994	0.619
Compound_129	FC(c1cccc(c1)C(Cl)(Cl)Cl)(F)F	0.93	0.167	0.914	0.692	0.376	0.519	0.992	0.96	0.126	0.998	0.52
Compound_130	Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.882	0.423	0.989	0.582	0.727	0.781	0.885	0.995	0.491	0.24	0.162
Compound_131	CCOC(=O)C1CC1(C)C	0.689	0.144	0.557	0.591	0.162	0.024	0.983	0.577	0.322	0.996	0.812
Compound_132	CCCCCCCCCCCCC(C(=O)Nc1ccc(c(c1)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl)Cl)Oc1ccc(cc1)C(CC)(C)C	0.717	0.808	0.689	0.636	0.707	0.801	0.852	0.702	0.41	0.868	0.372
Compound_133	Nc1c(N)ccc2c1c1ccc3c4c1c(C2=O)ccc4c1c2c3ccc3c2c(cc1)C(=O)c1c3cccc1	0.871	0.676	0.995	0.877	0.933	0.878	0.998	0.985	0.478	0.893	1.0
Compound_134	O=COC1CC(C2C31CCCC(C3)(C)CC2)(C)C	0.94	0.819	0.556	0.556	0.764	0.717	0.021	0.717	0.448	0.997	0.38
Compound_135	NC(=O)CCC(C(=O)O)Nc1ccc2c(c1)cccc2	0.243	0.6	0.19	0.338	0.273	0.163	0.132	0.099	0.24	0.013	0.23
Compound_136	C=CS(=O)(=O)c1cccc(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.543	0.451	0.953	0.557	0.679	0.62	0.947	0.99	0.361	0.29	0.379
Compound_137	CCCCO[Sn](CCCC)(CCCC)Cl	0.883	0.388	0.24	0.723	0.83	0.916	0.995	0.999	0.737	0.998	0.742
Compound_138	COc1cc([N+]#N)c(cc1C#N)OC	0.813	0.33	0.905	0.672	0.719	0.222	0.989	0.184	0.787	0.915	0.919
Compound_139	ClC(=O)C1C2CCC(C1(C)C)C2	0.99	0.432	0.069	0.608	0.344	0.231	0.977	0.989	0.292	0.963	0.855
Compound_140	CC1CC(=O)OC1	0.681	0.184	0.111	0.593	0.05	0.023	0.997	0.784	0.661	0.924	0.417
Compound_141	CCOC(C(=O)[O-])OCC	0.664	0.044	0.57	0.339	0.019	0.061	0.906	0.308	0.225	0.989	0.938
Compound_142	NC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.031	0.102	0.014	0.168	0.024	0.032	0.056	0.218	0.402	0.023	0.358
Compound_143	Fc1cccc(c1Br)F	0.996	0.093	0.967	0.576	0.257	0.176	0.999	0.959	0.796	1.0	0.447
Compound_144	N#Cc1ccc(c(c1)F)F	0.989	0.143	0.923	0.676	0.455	0.059	0.997	0.98	0.897	0.992	0.814
Compound_145	CCC[NH+]1CCNCC1	0.011	0.232	0.03	0.275	0.005	0.001	0.0	0.013	0.29	0.095	0.201
Compound_146	CCCC(C(COC(=O)C=C)CC)OC(=O)C=C	0.991	0.057	0.031	0.763	0.633	0.283	0.995	0.99	0.796	1.0	0.941
Compound_147	CCC(=O)OCCS[Sn](SCCOC(=O)CC)(C)C	0.676	0.068	0.207	0.704	0.922	0.937	0.99	0.799	0.265	0.975	0.71
Compound_148	CCCC[Sn](SCCOC(=O)CC)(SCCOC(=O)CC)SCCOC(=O)CC	0.67	0.059	0.28	0.725	0.937	0.972	0.996	0.942	0.308	0.997	0.714
Compound_149	[O-]CCCCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.061	0.044	0.996	0.961	0.798	1.0	0.908
Compound_150	CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC	0.888	0.124	0.11	0.622	0.863	0.872	0.999	0.923	0.213	0.997	0.707
Compound_151	COCC(Cn1ccnc1N(=O)=O)O	0.19	0.304	0.102	0.453	0.392	0.205	0.007	0.122	0.192	0.778	0.631
Compound_152	OCC(Cn1ccnc1N(=O)=O)O	0.148	0.202	0.077	0.396	0.43	0.224	0.008	0.024	0.095	0.099	0.627
Compound_153	CCCCCC=CCC=CC=CC=O	0.926	0.052	0.358	0.606	0.335	0.66	0.996	0.979	0.964	1.0	0.87
Compound_154	COC1=C(C)C(=C(C)C(=C(C)C(=C(C)C=CC=C(C(=O)NC2=CC(=O)c3c4C(=O)C(OC=C1)(C)Oc4c(C)c(c3C2=O)O)C)O)O)OC(=O)C	0.742	0.778	0.722	0.52	0.251	0.798	0.969	0.973	0.425	0.159	0.565
Compound_155	O=C(C=C(N)C)OCCSCCOC(=O)C=C(N)C	0.155	0.154	0.368	0.711	0.769	0.207	0.845	0.835	0.647	0.933	0.849
Compound_156	CCN(CCC(c1ccccc1)(C1CCCCC1)O)CC	0.089	0.348	0.077	0.044	0.058	0.228	0.001	0.021	0.216	0.06	0.23
Compound_157	O=CC1=C2C(C)(C)C3CC2(C(CC1)(C)C)CC3	0.996	0.656	0.361	0.522	0.364	0.561	0.16	0.791	0.692	0.999	0.469
Compound_158	OC(=O)c1cc(ccc1N=Nc1c(N)ccc2c1cc(cc2O)S(=O)(=O)O)N(=O)=O	0.668	0.394	1.0	0.626	0.819	0.66	0.979	0.963	0.423	0.127	0.492
Compound_159	CCC(COc1ccc(cc1)N=Nc1cc(C)c(cc1OC)N=Nc1cccc(c1)S(=O)(=O)[O-])O	0.505	0.564	0.191	0.384	0.672	0.677	0.031	0.93	0.296	0.46	0.22
Compound_160	CCCC(=O)C(CC)Cl	0.991	0.075	0.306	0.707	0.368	0.121	0.999	0.987	0.572	1.0	0.968
Compound_161	OCC(=O)C1(Br)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F	0.942	1.0	0.047	0.96	0.876	0.805	0.14	0.01	0.119	0.472	0.236
Compound_162	n1nsc(n1)Nc1cccc2c1cccc2	0.813	0.616	0.99	0.702	0.224	0.873	0.864	0.892	0.88	0.93	0.338
Compound_163	CCCCC(COP(=O)(OCC(CCCC)CC)S)CC	0.919	0.061	0.019	0.354	0.098	0.093	1.0	0.012	0.766	0.998	0.511
Compound_164	O=C(C(=C)C)OCC#CCOC(=O)C(=C)C	0.91	0.242	0.223	0.638	0.396	0.537	0.997	0.918	0.491	1.0	0.842
Compound_165	CCC(COC(=O)C(=C)C)OC	0.976	0.096	0.072	0.615	0.529	0.06	0.949	0.897	0.909	0.981	0.955
Compound_166	CCCCCC(COC(=O)C(=C)C)C	0.98	0.084	0.065	0.682	0.418	0.026	0.99	0.952	0.884	1.0	0.972
Compound_167	CCCCCCC(COC(=O)C(=C)C)C	0.992	0.084	0.065	0.682	0.487	0.036	0.996	0.952	0.904	1.0	0.972
Compound_168	COc1cc2c(c[nH+]cc2cc1OC)Cc1ccc(cc1)Cl	0.261	0.562	0.985	0.599	0.471	0.675	0.02	0.396	0.755	0.8	0.942
Compound_169	CCCCCCCC1CCC(CC1)c1ccc(cc1)C#N	0.968	0.33	0.145	0.517	0.753	0.157	0.754	0.663	0.86	0.988	0.9
Compound_170	CCCCC(C(OC(=O)CC(S(=O)(=O)[O-])C(=O)OC(C(CCCC)C)(C)C)(C)C)C	0.505	0.08	0.078	0.38	0.077	0.133	0.938	0.986	0.416	0.378	0.283
Compound_171	CCN(S(=O)(=O)c1ccccc1N=NC1C(=NN(C1=O)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-])C)c1ccccc1	0.488	0.539	0.862	0.565	0.702	0.653	0.901	0.947	0.407	0.603	0.355
Compound_172	N#CCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.512	0.71	0.055	0.631	0.866	0.51	0.968	0.949	0.768	0.108	0.552
Compound_173	CO[Si](=O)O	0.859	0.09	0.046	0.266	0.465	0.199	0.9	0.014	0.813	0.807	0.49
Compound_174	CC(=O)OC(=C1C(C)CC2C1(C)CC=C1C2CCC2=CC(=O)C=CC12C)COC(=O)C	0.905	1.0	0.106	0.862	0.986	0.99	0.846	0.955	0.879	0.933	0.095
Compound_175	ON=C1CCCC(=C1)c1ccncc1	0.571	0.545	0.447	0.493	0.065	0.749	0.004	0.913	0.52	0.116	0.757
Compound_176	OCCOc1ccccc1C(CC(C)(C)C)(C)C	0.138	0.28	0.367	0.549	0.455	0.416	0.75	0.938	0.142	0.75	0.142
Compound_177	CC(=CC(=O)OCCC(OC(=O)C=C(N)C)C)N	0.459	0.102	0.145	0.681	0.447	0.079	0.789	0.886	0.829	0.352	0.714
Compound_178	CC1=NN(C(=O)C1N=Nc1ccc2c(c1S(=O)(=O)O)cccc2)c1cc(Cl)c(cc1Cl)S(=O)(=O)O	0.467	0.564	0.962	0.507	0.71	0.653	0.973	0.703	0.408	0.849	0.299
Compound_179	CN(c1ccc(cc1)N=Nc1nnc[nH]1)Cc1ccccc1	0.622	0.71	0.851	0.384	0.234	0.734	0.263	0.484	0.85	0.749	0.517
Compound_180	Cc1cc(ccc1N)c1ccccc1C	0.822	0.659	0.985	0.774	0.323	0.768	0.999	0.957	0.734	0.962	0.791
Compound_181	O=C1N(N=C(C1N=Nc1cc(ccc1S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)Cl)C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]	0.541	0.448	0.995	0.6	0.682	0.631	0.129	0.989	0.408	0.097	0.431
Compound_182	CC(=O)C(C(=O)Nc1ccccc1Cl)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1Cl)C(=O)C	0.68	0.683	0.999	0.766	0.929	0.87	0.915	0.577	0.456	0.969	0.663
Compound_183	ClC[Si](N[Si](CCl)(C)C)(C)C	0.827	0.255	0.409	0.613	0.408	0.541	0.871	0.97	0.987	0.67	0.545
Compound_184	CC(NC(C(c1ccc(cc1)OC(=O)C(C)(C)C)O)C)COc1ccccc1	0.029	0.7	0.054	0.22	0.535	0.132	0.017	0.191	0.239	0.04	0.073
Compound_185	CCOc1ccc(c(c1)N)NC(=O)C	0.198	0.392	0.847	0.496	0.471	0.286	0.242	0.017	0.525	0.041	0.635
Compound_186	Cc1ccc(cc1N=C=O)F	0.871	0.538	0.898	0.712	0.185	0.076	0.997	0.531	0.84	0.904	0.401
Compound_187	CCCCC(C(C=C)O)CC	0.912	0.09	0.068	0.632	0.32	0.047	0.762	0.908	0.44	0.987	0.821
Compound_188	O=C(OC(C)(C)C)NC(C(=O)Oc1ccc(cc1)N(=O)=O)CCCCNC(=O)OCCS(=O)(=O)C	0.46	0.522	0.174	0.462	0.647	0.691	0.006	0.754	0.402	0.097	0.422
Compound_189	[O-]CCCCCCCCCCCC	0.986	0.06	0.27	0.639	0.061	0.044	0.996	0.961	0.798	1.0	0.908
Compound_190	CCC([NH2+]CCC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2)CC	0.54	0.484	0.516	0.708	0.934	0.834	0.773	0.937	0.699	0.619	0.588
Compound_191	Cc1ccc2c(n1)CCC2	0.255	0.409	0.499	0.516	0.359	0.595	0.425	0.609	0.415	0.059	0.471
Compound_192	CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)CN(C(=O)c1ccc2c(c1O)cccc2)c1ccc(c(c1)C(=O)O)C(=O)O	0.449	0.743	0.197	0.428	0.853	0.905	0.812	0.385	0.423	0.694	0.355
Compound_193	COCCN(c1ccc(c(c1)NC(=O)C)N=Nc1c(Cl)cc(cc1C#N)N(=O)=O)CCC(OC)C	0.781	0.62	0.738	0.572	0.743	0.61	0.702	0.834	0.525	0.856	0.602
Compound_194	S=C1NC(=O)C(C(=O)N1)C=CC=CC=C1C(=O)NC(=S)NC1=O	0.57	0.509	0.706	0.397	0.117	0.621	0.023	0.979	0.429	0.808	0.747
Compound_195	CCC(=Cc1sc2c([n+]1CC)cccc2)SC	0.743	0.701	0.64	0.665	0.377	0.88	0.709	0.929	0.908	0.979	0.62
Compound_196	CCN(c1c(I)c(C(=O)O)c(c(c1I)N)I)C(=O)C	0.035	0.447	0.036	0.281	0.159	0.226	0.002	0.051	0.187	0.016	0.105
Compound_197	Cc1ccc(c(c1)N(=O)=O)N=NC1C(=NN(C1=O)c1cccc(c1)S(=O)(=O)N)C	0.486	0.518	0.22	0.324	0.516	0.608	0.432	0.475	0.403	0.028	0.441
Compound_198	CC[n+]1c(ccc2c1cccc2)C=c1sc2c(n1CCCCS(=O)(=O)[O-])cccc2	0.655	0.613	0.084	0.537	0.739	0.673	0.434	0.864	0.362	0.028	0.521
Compound_199	CCCCCCC=CCCO	0.963	0.07	0.123	0.55	0.283	0.087	0.944	0.574	0.636	0.974	0.76
Compound_200	CCCCCC=CCCO	0.935	0.07	0.123	0.55	0.266	0.079	0.866	0.574	0.5	0.974	0.76
Compound_201	OC(=O)C1OC(Oc2ccc(cc2)N(=O)=O)C(C(C1O)O)O	0.4	0.596	0.045	0.432	0.63	0.536	0.019	0.596	0.108	0.863	0.866
Compound_202	CCOC(=O)C(CC(C)C)O	0.403	0.038	0.381	0.634	0.049	0.032	0.609	0.282	0.162	0.427	0.399
Compound_203	C=CCCC1CO1	0.859	0.246	0.114	0.649	0.451	0.054	0.994	0.976	0.368	0.999	0.952
Compound_204	O=N(=O)c1ccc(c(c1)S(=O)(=O)[O-])C=Cc1ccccc1	0.963	0.419	0.963	0.492	0.54	0.653	0.993	0.993	0.486	0.882	0.359
Compound_205	Cc1ccc(cc1)Nc1ccc(c2c1c(ccc2)S(=O)(=O)[O-])N=Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.859	0.377	0.964	0.581	0.769	0.892	0.929	0.989	0.48	0.49	0.284
Compound_206	C[N+]1(CCOCC1)Cc1ccccc1	0.049	0.371	0.184	0.528	0.007	0.153	0.001	0.015	0.299	0.006	0.091
Compound_207	CCCCC(COC(=O)c1ccccc1C(=O)OCC(C)C)CC	0.952	0.113	0.275	0.535	0.103	0.048	0.988	0.016	0.493	0.99	0.724
Compound_208	CC(CC(=O)C(C(C)C)Sc1ccoc1C)C	0.472	0.256	0.93	0.465	0.252	0.751	0.936	0.728	0.478	0.927	0.887
Compound_209	CC(CC(=O)C(C(C)C)Cl)C	0.991	0.08	0.823	0.662	0.52	0.131	0.986	0.997	0.517	0.991	0.921
Compound_210	NCCc1ccc(c(c1Cl)OC)OC	0.255	0.149	0.342	0.579	0.246	0.509	0.004	0.008	0.29	0.009	0.057
Compound_211	CCCCCCCCC(COS(=O)(=O)[O-])CCCCCC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.413	0.068	0.989	0.341
Compound_212	ClC1OS(=O)(=O)c2c1cccc2	0.414	0.483	0.583	0.707	0.327	0.408	0.946	0.981	0.345	0.951	0.27
Compound_213	NC(c1ccccc1)Cc1ccccc1	0.175	0.455	0.213	0.508	0.042	0.72	0.289	0.074	0.394	0.734	0.274
Compound_214	NC(=O)CC[n+]1c(N=Nc2c(c3ccc(cc3)C)n(c3c2cccc3)C)sc2c1cccc2	0.564	0.622	0.518	0.635	0.818	0.826	0.991	0.4	0.407	0.013	0.278
Compound_215	CCCCCCCC(=O)C(C(=O)OCC)C(=O)C	0.884	0.011	0.34	0.62	0.122	0.07	0.995	0.306	0.345	0.936	0.93
Compound_216	OCC(COC(=O)C)(COCC(CO)(CO)CO)CO	0.818	0.075	0.068	0.575	0.177	0.206	0.33	0.191	0.698	0.43	0.448
Compound_217	CC(=O)SCC(C(=O)N1CSCC1C(=O)[O-])C	0.075	0.484	0.032	0.419	0.437	0.043	0.707	0.331	0.043	0.951	0.644
Compound_218	CCO[Si](OCC)(OCC)CCCOC(C(OCC=C)OCC=C)OCC=C	0.905	0.098	0.402	0.629	0.585	0.31	0.999	0.996	0.128	0.997	0.697
Compound_219	Clc1ccc2c(c1)CC1CC2C=CC1[NH3+]	0.34	0.379	0.178	0.559	0.277	0.706	0.07	0.341	0.865	0.995	0.841
Compound_220	[NH3+]C1C=CC2CC1Cc1c2cccc1	0.243	0.475	0.347	0.596	0.07	0.644	0.074	0.575	0.75	0.995	0.918
Compound_221	Cc1cccc(c1C)OCC1=NCCN1	0.023	0.436	0.082	0.201	0.018	0.037	0.0	0.034	0.134	0.006	0.025
Compound_222	CC(CC=CC(=CC(=O)Cl)C)CCCC(C)C	0.997	0.036	0.91	0.709	0.521	0.11	0.993	0.91	0.415	0.999	0.979
Compound_223	CCCCCCCCCCCC[N+]1(C)CCOCC1	0.583	0.43	0.025	0.667	0.036	0.505	0.767	0.396	0.456	0.038	0.163
Compound_224	CC(CCCCC=CCCCCCCCCCC1CC(=O)OC1=O)C	0.964	0.262	0.891	0.63	0.457	0.086	1.0	0.995	0.424	0.996	0.776
Compound_225	COC(=O)C(=CC)Br	0.967	0.15	0.659	0.756	0.76	0.177	1.0	1.0	0.98	0.997	0.967
Compound_226	OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCC(C)C	0.36	0.682	0.603	0.45	0.065	0.174	0.014	0.952	0.429	0.458	0.414
Compound_227	CCCCCCCCCCCCOCC(CCl)O	0.938	0.158	0.037	0.683	0.188	0.277	0.959	0.858	0.623	0.959	0.913
Compound_228	[O-]S(=O)(=O)c1ccc(cc1N=Nc1c(O)c2c(NC(=O)c3ccccc3)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)Nc1ccc(cc1)S(=O)(=O)[O-]	0.799	0.413	0.995	0.608	0.743	0.706	0.698	0.986	0.44	0.527	0.441
Compound_229	COc1ccc(cc1)C1CNCCc2c1cc(OC)c(c2Cl)OC	0.127	0.579	0.211	0.364	0.532	0.607	0.025	0.024	0.272	0.015	0.599
Compound_230	CCC(N(C)C)NC(=O)C(=C)C	0.071	0.133	0.013	0.21	0.043	0.009	0.001	0.574	0.479	0.833	0.512
Compound_231	ClCC(C[N+](Cc1ccccc1)(C)C)O	0.05	0.28	0.008	0.599	0.028	0.159	0.016	0.415	0.423	0.018	0.163
Compound_232	CCOc1ccc(cc1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)N(C)C	0.647	0.53	0.894	0.549	0.631	0.61	0.053	0.592	0.334	0.93	0.63
Compound_233	N#CCCN(c1ccc(cc1)N=Nc1ccccc1S(=O)(=O)NC1CCCCC1)C	0.417	0.398	0.611	0.317	0.736	0.689	0.243	0.557	0.367	0.033	0.41
Compound_234	OC(=O)C1NC(SC1(C)C)(C)C	0.009	0.426	0.003	0.142	0.229	0.001	0.007	0.005	0.093	0.078	0.441
Compound_235	CC1=Cc2ccccc2OC21C=Cc1c(O2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1	0.652	0.641	0.933	0.597	0.91	0.678	0.968	0.981	0.61	0.95	0.871
Compound_236	OCCOCC(CO)O	0.65	0.248	0.039	0.4	0.083	0.193	0.021	0.01	0.283	0.787	0.203
Compound_237	CCP(=O)(N(C)C)N(C)C	0.546	0.106	0.214	0.479	0.483	0.248	0.069	0.301	0.704	0.212	0.554
Compound_238	OC(=O)C1OC(Oc2cccc3c2nccc3)C(C(C1O)O)O	0.475	0.621	0.184	0.545	0.197	0.391	0.36	0.523	0.132	0.571	0.833
Compound_239	CCCCCCCCCCCCc1ccccc1Oc1ccccc1	0.661	0.579	0.602	0.595	0.464	0.859	0.864	0.982	0.97	1.0	0.979
Compound_240	N#CC(=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2c1cccc2)C(=O)N	0.437	0.643	0.302	0.295	0.443	0.26	0.022	0.154	0.382	0.005	0.779
Compound_241	CCCCCCCCCCCCCCCC(=O)OC1C(OC(C(C1O)O)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCCCCCCCCCC)O)CO	0.616	0.572	0.017	0.562	0.2	0.282	0.904	0.176	0.207	0.609	0.532
Compound_242	ClCc1ccccc1CC[Si](Cl)(Cl)Cl	0.793	0.423	0.803	0.682	0.672	0.549	0.996	0.874	0.978	1.0	0.657
Compound_243	Cc1cccc(c1)CC[Si](Cl)(Cl)Cl	0.631	0.371	0.639	0.679	0.097	0.356	0.981	0.837	0.84	0.989	0.573
Compound_244	[O-]S(=O)(=O)c1cccc(c1)P(c1cccc(c1)S(=O)(=O)[O-])c1cccc(c1)S(=O)(=O)[O-]	0.675	0.528	0.434	0.422	0.919	0.646	0.981	0.781	0.398	0.986	0.181
Compound_245	CCCCCCCCCCCC(=O)OCC(=O)C1C(CC)CC2C1(C)CCC1C2CCC2=CC(=O)CCC12	0.981	1.0	0.387	0.735	0.632	0.906	0.317	0.332	0.294	0.971	0.261
Compound_246	OC(=O)CCCCC=CCCC(=O)O	0.673	0.088	0.125	0.108	0.379	0.028	0.225	0.031	0.107	0.465	0.147
Compound_247	CC(C1CCC2(C(C1)O2)C)(O)C	0.817	0.37	0.015	0.481	0.677	0.176	0.801	0.34	0.471	0.942	0.48
Compound_248	BrC(C(Br)C)Br	0.88	0.121	0.523	0.605	0.203	0.052	0.995	0.99	0.856	1.0	0.857
Compound_249	CCCCCCCCCCCCCC[Si](OCC)(OCC)OCC	0.993	0.027	0.587	0.58	0.165	0.152	1.0	0.946	0.826	0.997	0.721
Compound_250	Cc1ccc2c(c1)c1CCCC3c1n2CCN3	0.499	0.423	0.855	0.339	0.278	0.572	0.068	0.009	0.511	0.007	0.057
Compound_251	N#CCC(=N)c1ccccc1	0.805	0.376	0.279	0.589	0.337	0.146	0.973	0.775	0.758	0.709	0.79
Compound_252	CCCCCC#CC=CCO	0.873	0.144	0.087	0.568	0.444	0.882	0.706	0.852	0.665	0.937	0.675
Compound_253	O=C(C(c1cccs1)C1CCCCC1)OCCN1CCCCCC1	0.4	0.507	0.036	0.174	0.392	0.44	0.263	0.772	0.464	0.415	0.188
Compound_254	[O-]S(=O)(=O)CCSSCCS(=O)(=O)[O-]	0.652	0.074	0.243	0.371	0.265	0.323	0.545	0.644	0.383	0.999	0.468
Compound_255	CCN(c1ccc2c(c1)OC1(C=C2)C=Cc2c(O1)ccc1c2cccc1)CC	0.53	0.72	0.864	0.648	0.852	0.685	0.406	0.971	0.577	0.934	0.887
Compound_256	OCc1ccc(c(c1Cl)Cl)Cl	0.638	0.079	0.915	0.622	0.5	0.269	0.947	0.966	0.443	0.933	0.761
Compound_257	CCCCCCCCCCOc1ccc(cc1)N=Nc1c(O)c2c(NC(=O)C)cc(cc2cc1S(=O)(=O)NCC)S(=O)(=O)NCC	0.655	0.679	0.098	0.319	0.676	0.71	0.801	0.399	0.412	0.88	0.279
Compound_258	CSC1=[N+](CC)C(=O)C(=C2SCCN2C)S1	0.235	0.522	0.141	0.272	0.402	0.345	0.283	0.049	0.359	0.305	0.596
Compound_259	CCC(=Cc1sc2c([n+]1C)c1ccccc1cc2)C=c1sc2c(n1CCC(=O)O)ccc(c2)OC	0.742	0.634	0.707	0.488	0.713	0.765	0.998	0.942	0.481	0.063	0.737
Compound_260	C=CCc1ccccc1OCC(CO)O	0.073	0.332	0.163	0.45	0.167	0.11	0.486	0.34	0.054	0.855	0.274
Compound_261	CCC1(NCCS1)C(=O)O	0.01	0.357	0.003	0.174	0.242	0.002	0.001	0.003	0.251	0.001	0.161
Compound_262	C=CCOCC(COC(=O)C)(COCC=C)CC	0.957	0.061	0.142	0.577	0.676	0.173	0.991	0.997	0.532	0.999	0.917
Compound_263	COc1cc(c(cc1N=NC1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)C)S(=O)(=O)CCOS(=O)(=O)[O-]	0.513	0.587	0.858	0.52	0.637	0.703	0.029	0.918	0.407	0.769	0.338
Compound_264	O=C1CCC2(C(C1)CCC1C2=CCC2(C1CC(C2(O)C(=O)C)C)C)C	0.927	1.0	0.083	0.578	0.785	0.865	0.021	0.98	0.113	0.418	0.084
Compound_265	CC1(C)c2ccccc2N(C21C=Cc1c(O2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1	0.682	0.681	0.98	0.588	0.99	0.886	0.999	0.981	0.449	0.782	0.532
Compound_266	OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C(=CC12C)Br)F)F	0.953	0.99	0.016	0.978	0.858	0.751	0.1	0.005	0.095	0.083	0.133
Compound_267	CC(=O)OC1(CCC2C1(C)CC(Cl)C1(C2CC(C2=CC(=O)C(=CC12C)Br)F)Cl)C(=O)COC(=O)C	0.974	1.0	0.268	0.938	0.872	0.742	0.959	0.193	0.136	0.904	0.224
Compound_268	CC(=O)OC1(C(C)CC2C1(C)CC=C1C2CC(C2=CC(=O)C(=CC12C)Br)F)C(=O)COC(=O)C	0.894	1.0	0.138	0.87	0.845	0.711	0.331	0.912	0.13	0.928	0.261
Compound_269	CC(=O)OC1(C(C)CC2C1(C)CC1OC31C2CC(C1=CC(=O)C(=CC31C)Br)F)C(=O)COC(=O)C	0.945	0.99	0.182	0.927	0.884	0.731	0.239	0.879	0.179	0.921	0.45
Compound_270	CCN(c1cccc(c1)C)Cc1ccc(cc1)S(=O)(=O)O	0.132	0.435	0.637	0.396	0.913	0.464	0.94	0.457	0.397	0.267	0.369
Compound_271	O=CC(=CC1C(=CCCC1(C)C)C)C	0.962	0.201	0.521	0.614	0.268	0.298	0.786	0.993	0.908	0.996	0.747
Compound_272	CC(CC(c1ccccc1OP(=O)(O)O)(C)C)(C)C	0.458	0.268	0.292	0.393	0.312	0.058	0.583	0.112	0.662	0.966	0.37
Compound_273	CC1=NN(C(=O)C1N=Nc1cccc(c1)S(=O)(=O)Nc1ccccc1)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-]	0.443	0.473	0.961	0.439	0.701	0.653	0.729	0.958	0.407	0.781	0.35
Compound_274	O=C1c2ccccc2C(=O)c2c1c(cc(c2N)S(=O)(=O)[O-])NS(=O)(=O)c1ccccc1	0.426	0.367	0.227	0.33	0.649	0.638	0.769	0.944	0.36	0.022	0.42
Compound_275	O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)Cc1csc(n1)N	0.413	0.228	0.016	0.101	0.114	0.104	0.002	0.497	0.048	0.336	0.113
Compound_276	CC1COC(O1)c1ccccc1C	0.332	0.208	0.779	0.583	0.042	0.225	0.972	0.612	0.355	0.854	0.363
Compound_277	O=C(c1ccccc1)OCc1ccccc1C(=O)O	0.751	0.304	0.415	0.516	0.383	0.587	0.996	0.033	0.637	0.158	0.833
Compound_278	CCCCCCCCCCCCCCC(OC(=O)CCCCC(=O)OC(CCCCCCCCCCCCCC)C)C	0.848	0.02	0.104	0.6	0.169	0.096	0.999	0.132	0.313	0.995	0.872
Compound_279	CCCCCC(=O)CCl	0.983	0.025	0.115	0.7	0.319	0.12	0.999	0.997	0.829	1.0	0.992
Compound_280	CCC(S)O	0.418	0.223	0.109	0.515	0.097	0.21	0.94	0.161	0.624	0.49	0.61
Compound_281	OCCCC(CO)O	0.499	0.18	0.046	0.503	0.061	0.063	0.824	0.016	0.068	0.364	0.128
Compound_282	OCCC(=C(N(Cc1cnc(nc1N)C)C=O)C)SCOC(=O)c1ccccc1	0.384	0.673	0.119	0.486	0.115	0.517	0.039	0.343	0.128	0.081	0.473
Compound_283	CCCCOC(N(C)C)OCCCC	0.438	0.178	0.032	0.274	0.034	0.073	0.226	0.647	0.439	0.69	0.52
Compound_284	Fc1ccc2c(c1)c(Cl)cc(n2)C	0.906	0.519	0.962	0.527	0.741	0.432	0.926	0.625	0.833	0.929	0.748
Compound_285	CCOC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)Cc1ccccc1	0.482	0.621	0.125	0.319	0.035	0.124	0.564	0.437	0.391	0.929	0.219
Compound_286	CCOC(=O)CCC(C(=O)OCC)C	0.652	0.003	0.856	0.66	0.083	0.019	0.97	0.505	0.254	0.997	0.915
Compound_287	CCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_288	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O	0.952	0.189	0.483	0.658	0.681	0.166	1.0	0.996	0.872	0.999	0.798
Compound_289	OC(=O)C1CCCCC1(O)c1ccccc1	0.47	0.556	0.112	0.248	0.387	0.103	0.811	0.181	0.096	0.333	0.03
Compound_290	CC(=O)OC1(CCC2C1(C)CC=C1C2CC(C2=CC(=O)C(=CC12C)Br)F)C(=O)COC(=O)C	0.894	1.0	0.136	0.878	0.845	0.711	0.331	0.894	0.123	0.918	0.194
Compound_291	CC(=O)OC1(CCC2C1(C)CC1OC31C2CC(C1=CC(=O)C(=CC31C)Br)F)C(=O)COC(=O)C	0.945	1.0	0.18	0.937	0.884	0.731	0.239	0.846	0.171	0.91	0.397
Compound_292	CCOP(=O)(Sc1ccccc1)Oc1cccc(n1)Cl	0.744	0.504	0.975	0.652	0.715	0.295	0.965	0.866	0.557	0.238	0.629
Compound_293	OC(=O)c1cc(ccc1Cl)N=C1C=CC(=C(c2ccc(cc2)Nc2ccc(c(c2)C(=O)O)Cl)c2ccccc2)C=C1	0.609	0.655	0.506	0.478	0.975	0.934	0.798	0.678	0.644	0.851	0.941
Compound_294	NC(C(c1ccccc1)O)C(=O)OC(C(O)C)O	0.11	0.173	0.012	0.302	0.015	0.066	0.002	0.061	0.212	0.009	0.047
Compound_295	CCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	0.946	0.674	0.49	0.685	0.785	0.066	0.988	0.923	0.918	0.996	0.717
Compound_296	CCCCCCCCCCCCCCCCC[N+](C)(C)C	0.94	0.689	0.042	0.664	0.056	0.823	0.992	0.767	0.623	0.082	0.238
Compound_297	CCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.937	0.009	0.414	0.726	0.438	0.112	0.999	0.969	0.416	1.0	0.942
Compound_298	O=C(C(C(C(=O)OC1CC(C)(C)NC(C1)(C)C)CC(=O)OC1CC(C)(C)NC(C1)(C)C)CC(=O)OC1CC(C)(C)NC(C1)(C)C)OC1CC(C)(C)NC(C1)(C)C	0.114	0.625	0.059	0.383	0.446	0.645	0.374	0.183	0.441	0.936	0.384
Compound_299	CC(=O)Nc1cc(O)ccc1N=Nc1ccc(cc1)NC(=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.787	0.524	0.99	0.601	0.731	0.687	0.947	0.973	0.431	0.144	0.174
Compound_300	O=C(NC(C(=O)N1CCCC1C(=O)O)Cc1ccc(cc1)N(=O)=O)CNC(=O)c1ccccc1N	0.6	0.531	0.016	0.197	0.415	0.372	0.322	0.43	0.329	0.328	0.252
Compound_301	O=C(C(=C)C)OCCC[Si](O[Si](CCCOC(=O)C(=C)C)(C)C)(C)C	0.861	0.083	0.027	0.68	0.542	0.404	0.998	0.916	0.929	0.987	0.716
Compound_302	O=C1CCSC1C	0.833	0.416	0.315	0.534	0.128	0.035	0.986	0.273	0.448	0.736	0.635
Compound_303	CCCCC[SiH2]C(Cl)Cl	0.954	0.109	0.309	0.654	0.169	0.379	0.995	0.997	0.811	0.999	0.939
Compound_304	O=C1NN=C(C1N=Nc1ccc(cc1N(=O)=O)Cl)C	0.615	0.461	0.979	0.642	0.609	0.43	0.227	0.907	0.408	0.813	0.672
Compound_305	CCCCCCCCCCCC[S+](CCC(=O)OCC(CCCC)CC)CC	0.758	0.069	0.147	0.683	0.443	0.171	0.999	0.406	0.377	0.997	0.934
Compound_306	CCC(OC(=O)C)(N=NC(OC(=O)C)(CC)C)C	0.352	0.073	0.077	0.497	0.116	0.072	0.737	0.989	0.599	0.145	0.413
Compound_307	N#CCC1C(=C)CCCC1(C)C	0.996	0.249	0.408	0.533	0.718	0.051	0.543	0.966	0.793	0.195	0.861
Compound_308	CCC(C(C=CC1CC=C(C1(C)C)C)C)O	0.815	0.355	0.057	0.62	0.52	0.092	0.119	0.956	0.53	0.99	0.985
Compound_309	C=CCS(=O)(=O)c1ccccc1	0.726	0.456	0.542	0.647	0.197	0.407	0.987	0.885	0.4	0.988	0.245
Compound_310	NCCCCC(C(=O)OCc1ccccc1)N	0.108	0.221	0.033	0.269	0.014	0.024	0.001	0.018	0.104	0.003	0.038
Compound_311	CCNc1nc(NCC)nc(n1)NCC	0.437	0.196	0.686	0.385	0.024	0.027	0.0	0.06	0.775	0.464	0.237
Compound_312	CC(Nc1nc(NC(C)(C)C)nc(n1)NC(C)(C)C)(C)C	0.346	0.221	0.779	0.378	0.021	0.074	0.005	0.093	0.541	0.54	0.2
Compound_313	C=CCOC(=O)C1OC1c1ccccc1	0.645	0.24	0.938	0.7	0.179	0.079	0.941	0.99	0.173	0.783	0.54
Compound_314	O=C(ON1C(=O)CCC1=O)OCCCCCOC(=O)ON1C(=O)CCC1=O	0.228	0.349	0.316	0.532	0.429	0.376	0.622	0.807	0.419	0.972	0.621
Compound_315	Clc1ccc2c(c1)C(=NC(C(=O)N2)OC(=O)C(C)(C)C)c1ccccc1Cl	0.642	0.756	0.981	0.612	0.684	0.765	0.685	0.87	0.425	0.813	0.481
Compound_316	O=C1C=CC2(C(=C1)CCC1C2(Cl)C(O)CC2(C1CC(C2(O)C(=O)C)C)C)C	0.968	1.0	0.677	1.0	0.823	0.893	0.135	0.2	0.234	0.482	0.128
Compound_317	CC(CC=CC1CC=C(C1(C)C)C)O	0.815	0.404	0.108	0.599	0.52	0.092	0.119	0.889	0.383	0.97	0.958
Compound_318	O=CC(=CC1C(=C)CCCC1(C)C)C	0.994	0.199	0.847	0.71	0.398	0.264	0.938	0.992	0.918	0.999	0.841
Compound_319	CC1OC(C(=O)C1)C	0.83	0.244	0.341	0.527	0.017	0.072	0.997	0.473	0.286	0.809	0.489
Compound_320	OC(=O)C(Cc1c[nH]c2c1c(O)ccc2)N	0.319	0.509	0.445	0.273	0.616	0.626	0.061	0.07	0.049	0.003	0.132
Compound_321	BrCCCCC(C(Br)(F)F)(F)F	0.947	0.061	0.639	0.665	0.488	0.132	0.993	0.29	0.534	1.0	0.946
Compound_322	[NH3+]Cc1ccc(cc1)N(=O)=O	0.82	0.202	0.381	0.478	0.143	0.191	0.047	0.909	0.714	0.492	0.745
Compound_323	OCCC(C(CC)(C)C)C	0.767	0.095	0.241	0.472	0.068	0.057	0.728	0.163	0.434	0.84	0.805
Compound_324	CC=CC(=O)C1C(=CC)CCCC1(C)C	0.97	0.181	0.974	0.675	0.419	0.05	0.298	0.928	0.694	0.999	0.803
Compound_325	CCOC(=O)C=C(NC(c1ccc(cc1)O)C(=O)[O-])C	0.167	0.398	0.646	0.52	0.292	0.321	0.02	0.876	0.184	0.181	0.8
Compound_326	Clc1ccc(c(c1)F)N	0.923	0.271	0.943	0.658	0.302	0.274	0.998	0.929	0.987	0.992	0.447
Compound_327	CCCCCCCCCCCCC=CC=COS(=O)(=O)[O-]	0.981	0.044	0.349	0.431	0.412	0.477	1.0	0.933	0.443	1.0	0.316
Compound_328	CCN(CCCN=C=NC(C)C)CC	0.173	0.327	0.103	0.145	0.032	0.104	0.002	0.503	0.504	0.787	0.261
Compound_329	CCCCOC(OCCc1ccccc1)C	0.563	0.128	0.345	0.613	0.036	0.405	0.996	0.701	0.797	0.988	0.597
Compound_330	Cc1cc(N=NC2C(=NN(C2=O)c2ccccc2)C)c(c(c1)N(=O)=O)O	0.597	0.647	0.976	0.714	0.753	0.8	0.185	0.943	0.408	0.906	0.724
Compound_331	CCCCCCCCC=CCCCCCCCC(=O)NCCN1CCNCC1	0.306	0.14	0.001	0.225	0.015	0.115	0.034	0.218	0.37	0.32	0.221
Compound_332	CCCC(=O)C1(CCNCC1)c1ccccc1	0.069	0.346	0.074	0.31	0.005	0.024	-0.0	0.007	0.311	0.042	0.073
Compound_333	O=N(=O)C(=Cc1ccc(cc1C)N(C)C)C	0.788	0.382	0.928	0.587	0.289	0.654	0.75	0.805	0.911	0.966	0.946
Compound_334	CCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_335	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_336	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O	0.952	0.189	0.483	0.658	0.681	0.166	1.0	0.996	0.872	0.999	0.798
Compound_337	COC(=O)c1cc(cc(c1OC)OC)S(=O)(=O)N	0.162	0.363	0.207	0.2	0.052	0.516	0.017	0.001	0.161	0.018	0.197
Compound_338	O=CC(C(C)C)CCC(C)C	0.928	0.042	0.77	0.482	0.048	0.111	0.963	0.359	0.174	0.942	0.766
Compound_339	CCCCC(Nc1cc(NC(=O)C)c(cc1OC)N=Nc1c(C#N)cc(cc1N(=O)=O)N(=O)=O)C	0.762	0.778	0.936	0.511	0.741	0.577	0.487	0.815	0.61	0.773	0.777
Compound_340	Fc1cc(F)c(c(c1)N(=O)=O)F	0.995	0.213	0.875	0.697	0.242	0.18	0.998	0.996	0.732	0.999	0.905
Compound_341	O=N(=O)c1cc(F)c(c(c1)F)F	0.999	0.213	0.979	0.672	0.242	0.18	0.998	0.996	0.673	0.999	0.905
Compound_342	CCCCCCCCCCCCCCCCCC[Si](Cl)(C)C	0.995	0.54	0.267	0.695	0.224	0.33	1.0	0.987	1.003	0.993	0.633
Compound_343	CN(c1ccc(cc1)Cc1ccc(cc1)N(CC1OC1)C)CC1OC1	0.732	0.622	0.901	0.526	0.953	0.539	0.235	0.895	0.841	0.95	0.85
Compound_344	CCN([SiH](C)C)CC	0.196	0.181	0.398	0.5	0.019	0.204	0.014	0.457	0.792	0.926	0.455
Compound_345	ClCc1ccc(cc1)[Si](Cl)(Cl)Cl	0.878	0.376	0.847	0.692	0.37	0.572	0.997	0.983	0.99	0.998	0.597
Compound_346	CC(=O)CS(=O)(=O)[O-]	0.692	0.125	0.273	0.362	0.026	0.059	0.962	0.851	0.41	0.731	0.22
Compound_347	CC(Nc1ccccn1)CN1CCCCC1	0.022	0.379	0.045	0.124	0.021	0.273	0.0	0.169	0.403	0.048	0.041
Compound_348	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(CCCCCCCCC)O	0.711	0.057	0.045	0.737	0.177	0.134	0.986	0.361	0.196	0.693	0.288
Compound_349	O=C1ON=C(C1)C	0.442	0.262	0.239	0.479	0.024	0.009	0.934	0.741	0.338	0.091	0.743
Compound_350	CCCCCCCCCCCC(=O)O[Sn](O[Sn](OC(=O)CCCCCCCCCCC)(C)C)(C)C	0.633	0.044	0.202	0.604	0.861	0.877	0.996	0.954	0.107	0.606	0.735
Compound_351	OC(=O)CCC1C2CCC(C1(C)C)C2	0.754	0.422	0.08	0.153	0.419	0.061	0.274	0.23	0.051	0.932	0.185
Compound_352	OC1CCC2(C3(C1)OC3CC1C2CCC2(C1CC=C2C(=O)C)C)C	0.967	0.99	0.005	0.789	0.98	0.841	0.277	0.994	0.114	0.997	0.856
Compound_353	Fc1ccc(cc1)C(=O)c1ccc(c(c1)N)N	0.891	0.708	0.808	0.662	0.363	0.499	0.989	0.746	0.753	0.993	0.963
Compound_354	CC(=O)OC1CC(=C(C)C)CCC1C	0.88	0.389	0.3	0.528	0.129	0.014	0.971	0.595	0.766	1.0	0.649
Compound_355	CCCCN(c1ccc(c(c1)C)N)CCCCS(=O)(=O)O	0.18	0.38	0.167	0.371	0.093	0.451	0.082	0.727	0.267	0.016	0.357
Compound_356	OCC(CC(C)(C)C)C	0.695	0.069	0.05	0.429	0.069	0.052	0.757	0.124	0.312	0.207	0.533
Compound_357	COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)ccc(c2)N(=O)=O	0.688	0.725	0.262	0.619	0.891	0.875	0.921	0.974	0.647	0.986	0.785
Compound_358	CCOC(=O)C(=O)NNC(=O)c1ccc(cc1)OC	0.534	0.413	0.651	0.558	0.093	0.782	0.757	0.002	0.436	0.341	0.117
Compound_359	O=C(OCCS(=O)(=O)C)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C	0.033	0.196	0.011	0.267	0.119	0.119	0.001	0.69	0.404	0.28	0.224
Compound_360	CCC(N=NC(C)(C)C)(O)C	0.251	0.051	0.026	0.456	0.034	0.053	0.144	0.376	0.429	0.042	0.274
Compound_361	Oc1cc(O)c(cc1N=Nc1ccc(cc1)Nc1ccccc1)N=Nc1ccc(cc1)Nc1ccccc1	0.961	0.803	0.969	0.691	0.944	0.765	0.263	0.973	0.947	0.876	0.908
Compound_362	Fc1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F	0.97	0.547	0.668	0.729	0.626	0.746	0.959	0.99	0.495	0.994	0.934
Compound_363	CCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.39	0.619	0.086	0.663	0.014	0.883	0.917	0.667	0.95	0.023	0.085
Compound_364	N#CCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1Cl)N(=O)=O)CC	0.868	0.556	0.559	0.713	0.781	0.758	0.998	0.987	0.54	0.873	0.91
Compound_365	CCCCCCCCCCCCCCCc1cccc(c1)OCC1OC1	0.378	0.312	0.569	0.671	0.726	0.332	0.928	0.993	0.748	0.999	0.899
Compound_366	COn1c(cc2c1cccc2)c1ccccc1	0.948	0.663	0.986	0.749	0.877	0.913	0.988	0.977	0.899	0.991	0.907
Compound_367	[SiH3]C(=C(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1	0.767	0.643	0.705	0.578	0.892	0.714	0.998	0.216	0.92	0.901	0.685
Compound_368	CC(OCC)OCC#C	0.725	0.172	0.616	0.511	0.043	0.158	0.997	0.468	0.422	0.998	0.751
Compound_369	N1CCN(CC1)CC=Cc1ccccc1	0.074	0.267	0.006	0.26	0.005	0.025	0.0	0.523	0.489	0.002	0.013
Compound_370	O=C(c1cccnc1)OCC1(c2ccccc2)C(=O)c2c(C1=O)cccc2	0.284	0.653	0.878	0.493	0.495	0.55	0.898	0.005	0.276	0.004	0.976
Compound_371	CCOC1CC2CC1C1C2C=CC1	0.977	0.414	0.219	0.48	0.788	0.15	0.21	0.225	0.384	1.0	0.949
Compound_372	COc1ccc(cc1)C1OCC(C(O1)C(C)C)(C)C	0.443	0.6	0.715	0.716	0.392	0.819	0.911	0.112	0.368	0.33	0.452
Compound_373	CC1COC(O1)c1ccc2c(c1)OCO2	0.432	0.339	0.98	0.587	0.34	0.293	0.969	0.73	0.383	0.997	0.719
Compound_374	OCCN(Cn1nnc2c1cccc2)CCO	0.131	0.474	0.598	0.155	0.345	0.245	0.023	0.126	0.776	0.021	0.37
Compound_375	O=c1c2ccc3c4c2c(c2n1ncn2)ccc4c1c(s3)cccc1	0.514	0.579	0.791	0.504	0.665	0.705	0.939	0.05	0.754	0.111	0.189
Compound_376	Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.859	0.33	0.997	0.574	0.779	0.733	0.226	0.991	0.369	0.229	0.097
Compound_377	CCCC[Sn](OC(=O)C=CC(=O)OCCC)(OC(=O)C=CC(=O)OCCC)CCCC	0.898	0.076	0.329	0.75	0.993	0.995	1.0	0.994	0.775	0.999	0.739
Compound_378	ON=C1CCSc2c1cccc2	0.317	0.408	0.824	0.604	0.514	0.606	0.85	0.711	0.322	0.137	0.596
Compound_379	CCCCCCCCCc1cc(c(c(c1)C(c1ccccc1)C)O)C(c1ccccc1)C	0.931	0.562	0.116	0.573	0.94	1.0	0.026	0.896	0.833	0.999	0.964
Compound_380	CCCCC(C(=O)OCC(CO)O)CC	0.814	0.234	0.03	0.603	0.066	0.037	0.172	0.019	0.076	0.95	0.092
Compound_381	O=C(OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)CC1CCCCCCC1	0.954	0.824	0.02	0.345	0.995	0.996	0.018	0.434	0.186	0.989	0.421
Compound_382	O=C(SCC(C(=O)O)NC(=O)OCc1ccccc1)OCc1ccccc1	0.269	0.555	0.157	0.261	0.397	0.531	0.591	0.863	0.239	0.814	0.483
Compound_383	COc1ccc(cc1)CC(NCC(c1ccc(c(c1)CO)O)O)C	0.017	0.5	0.014	0.104	0.102	0.262	0.008	0.041	0.104	0.025	0.051
Compound_384	CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.587	0.504	0.578	0.588	0.984	0.927	1.0	0.971	1.004	0.999	0.89
Compound_385	CN1CCc2c3C1Cc1cc(O)c(cc1c3c(c(c2)O)O)O	0.168	0.672	0.813	0.342	0.248	0.422	0.004	0.967	0.209	0.112	0.143
Compound_386	ClS(=O)(=O)c1cccs1	0.9	0.528	0.782	0.578	0.443	0.557	0.961	0.985	0.939	0.984	0.508
Compound_387	CC(SC)CC=O	0.653	0.082	0.175	0.44	0.085	0.268	0.998	0.284	0.525	0.858	0.805
Compound_388	CCCCCCCCCCCCC(C(=O)OC)Br	0.912	0.034	0.285	0.717	0.706	0.15	0.997	1.0	0.452	0.997	0.914
Compound_389	CCN1CCCC1=CC=C1OC(=S)N(C1=O)CC	0.297	0.505	0.048	0.361	0.054	0.706	0.444	0.917	0.444	0.997	0.473
Compound_390	COc1ccc2c3c1OC1C43CCN(C(C2)C4(O)CCC1=O)C(=O)C1CCC1	0.704	0.539	0.234	0.552	0.42	0.641	0.067	0.346	0.223	0.079	0.241
Compound_391	OCC1CC2C(C1)C1CC2CC1	0.928	0.267	0.06	0.486	0.5	0.769	0.175	0.096	0.266	0.716	0.47
Compound_392	C[n+]1ccc(cc1)C=Cc1c[nH]c2c1cccc2	0.611	0.75	0.983	0.569	0.251	0.733	0.135	0.927	0.761	0.479	0.838
Compound_393	CCCCCCCCCCCCCCCCCCC=CC(C(=O)OCCN(CCO)CCO)CC(=O)OCCN(CCO)CCO	0.577	0.099	0.141	0.284	0.531	0.268	0.627	0.792	0.624	0.53	0.315
Compound_394	CCCCCCCCCCCCCCCCCCCC=CCC(C(=O)OCCN(CCO)CCO)CC(=O)OCCN(CCO)CCO	0.474	0.099	0.141	0.284	0.5	0.255	0.485	0.792	0.612	0.53	0.315
Compound_395	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC(CO)CO	0.517	0.131	0.044	0.406	0.054	0.122	0.147	0.709	0.423	0.791	0.317
Compound_396	CN(CCCNCC(C(=O)NCCCN(C)C)C)C	0.064	0.118	-0.0	0.091	0.006	0.018	0.001	0.14	0.355	0.004	0.17
Compound_397	COc1ccc2c(c1)oc(c2)C1[NH+](C)c2c(N1C)cc(cc2)S(=O)(=O)C	0.424	0.655	0.965	0.43	0.542	0.632	0.048	0.783	0.377	0.924	0.46
Compound_398	N#CC(CC(C)C)(N=NC(C)(C)C)C	0.53	0.038	0.131	0.463	0.193	0.115	0.315	0.829	0.66	0.428	0.707
Compound_399	Cc1ncc(c(n1)C)C(=O)C	0.608	0.264	0.53	0.429	0.058	0.204	0.0	0.142	0.577	0.21	0.14
Compound_400	CCOC(=O)C(Oc1ccc(cc1)Cc1ccc(cc1)Cl)(CC)C	0.083	0.704	0.313	0.566	0.855	0.747	0.156	0.482	0.261	0.786	0.721
Compound_401	CC1=CCC(C)(C)C=CCC(=C)C(CC1)C(=O)C	0.952	0.179	0.75	0.625	0.318	0.045	0.992	0.913	0.634	1.0	0.531
Compound_402	Cl[Si]([Si](Cl)(Cl)Cl)(Cl)Cl	0.952	0.171	0.433	0.615	0.831	0.571	0.892	0.883	0.978	1.0	0.727
Compound_403	CCCCCCCCCCOCC(C[N+](CC(COCCCCCCCCCC)O)(C)C)O	0.175	0.191	0.003	0.602	0.105	0.556	0.212	0.087	0.505	0.008	0.203
Compound_404	CCCCCC=CCC=CCCCO	0.808	0.075	0.103	0.553	0.244	0.075	0.886	0.632	0.183	0.979	0.681
Compound_405	CC(=O)Oc1ccc(c(c1)Cl)OC(=O)C	0.709	0.152	0.716	0.729	0.661	0.383	0.714	0.451	0.684	0.832	0.187
Compound_406	Nc1ccc(cc1)Cc1ccc(c(c1)C)N	0.703	0.704	0.98	0.521	0.414	0.902	0.986	0.922	0.92	0.957	0.933
Compound_407	COc1c(cccc1OC)CC[NH+](CCCC(c1cc(OC)c(c(c1)OC)OC)(C#N)CC)C	0.044	0.511	0.336	0.489	0.109	0.521	0.041	0.726	0.482	0.005	0.836
Compound_408	COC(=O)C(C12CC3CC(C1)CC(C2)(C3)C(C(=O)OC)Cl)Cl	0.984	0.35	0.203	0.577	0.812	0.43	0.976	0.998	0.298	0.782	0.92
Compound_409	COc1ccc(cc1N=NC1C(=NN(C1=O)c1c(C)cc(cc1Cl)S(=O)(=O)[O-])C)S(=O)(=O)CCOS(=O)(=O)[O-]	0.524	0.567	0.816	0.583	0.694	0.653	0.153	0.966	0.408	0.949	0.379
Compound_410	OC(=O)COc1c(F)c(F)c(c(c1F)F)F	0.345	0.133	0.179	0.377	0.292	0.039	0.955	0.344	0.422	0.753	0.188
Compound_411	CCCCCCCCCCCc1ccc2c(c1O)nccc2	0.634	0.564	0.425	0.522	0.217	0.567	0.083	0.865	0.911	0.984	0.868
Compound_412	CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)(CO)CC)O	0.978	0.196	0.104	0.727	0.444	0.224	0.892	0.845	0.106	0.943	0.338
Compound_413	CCCCCC(CSC1C(O)CC(=O)C1CCCCCCC(=O)Oc1ccc(cc1)NC(=O)c1ccccc1)(O)C	0.678	0.852	0.027	0.558	0.937	0.689	0.822	0.095	0.198	0.086	0.57
Compound_414	CCCC[Sn](SC(=S)N(C)C)(CCCC)CCCC	0.632	0.431	0.013	0.518	0.644	0.996	0.384	0.851	0.967	0.995	0.662
Compound_415	CCCOCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OC(C)C)C	0.948	0.715	0.803	0.45	0.647	0.484	0.052	0.32	0.852	0.32	0.809
Compound_416	O=N(=O)c1ccc(c(c1C)N)C	0.717	0.168	0.958	0.557	0.192	0.152	0.99	0.951	0.74	0.967	0.75
Compound_417	O=CC=CC=Cc1ccccc1	0.929	0.234	0.886	0.733	0.069	0.544	0.999	0.938	0.973	0.998	0.734
Compound_418	Cc1ccc(c(c1)OP(Oc1cc(C)ccc1C(C)(C)C)Oc1cc(C)ccc1C(C)(C)C)C(C)(C)C	0.703	0.514	0.86	0.582	0.943	0.578	0.803	0.786	0.982	0.991	0.723
Compound_419	COc1cc(C=NN=Cc2cc(OC)c(c(c2)OC)O)cc(c1O)OC	0.412	0.712	0.66	0.623	0.75	0.292	0.304	0.024	0.847	0.544	0.807
Compound_420	O(C[n+]1ccccc1)CCOC[n+]1ccccc1	0.435	0.553	0.72	0.55	0.031	0.764	0.09	0.805	0.797	0.742	0.487
Compound_421	O=CC(C(C(C(CO)O)O)O)OC1OC(C)C(C(C1O)O)O	0.116	0.144	0.038	0.377	0.1	0.52	0.03	0.018	0.3	0.182	0.001
Compound_422	CCCCCCCCC=CCCCCCCCCNCCCNC(=O)CCCCCCCC=CCCCCCCCC	0.546	0.11	0.004	0.323	0.051	0.22	0.395	0.059	0.405	0.731	0.185
Compound_423	CCCCCCCCCCCCCCC=CC=COP(=O)(O)O	0.971	0.077	0.148	0.459	0.537	0.209	0.996	0.748	0.959	0.966	0.528
Compound_424	[O-]S(=O)(=O)C(S(=O)(=O)[O-])(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2	0.857	0.587	0.883	0.48	0.686	0.837	0.949	0.946	0.502	0.94	0.214
Compound_425	COC(C1CCCCC1)C	0.961	0.099	0.203	0.48	0.061	0.04	0.982	0.315	0.665	0.967	0.483
Compound_426	CCCCCCCCC=CCCCCCCCC(=O)NCC(OC(=O)C=CC(=O)O)C	0.443	0.125	0.009	0.233	0.388	0.639	0.201	0.825	0.432	0.217	0.058
Compound_427	CCCCCCCCCC(OS(=O)(=O)O)CCCCCCCC(=O)OCCCCCCCC(C)C	0.875	0.071	0.099	0.387	0.171	0.232	0.995	0.552	0.143	0.826	0.339
Compound_428	ClCC1CCC[NH+]1C	0.106	0.365	0.076	0.462	0.117	0.101	0.017	0.786	0.511	0.007	0.567
Compound_429	CCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.772	0.698	0.018	0.478	0.045	0.679	0.96	0.571	0.356	0.659	0.451
Compound_430	OC(=O)c1cc(ccn1=O)N(=O)=O	0.09	0.344	0.477	0.364	0.235	0.171	0.081	0.975	0.536	0.677	0.795
Compound_431	CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC	0.957	0.67	0.327	0.598	0.905	0.884	1.0	0.988	1.0	1.0	0.918
Compound_432	OC1=CCCC2C1(C)C1CCC3(C(C1CC2)CCC3)C	0.982	0.899	0.065	0.642	0.941	0.86	0.019	0.942	0.34	0.986	0.838
Compound_433	O=C1C(=Cc2ccc(cc2)C)CCCC1=Cc1ccc(cc1)C	0.865	0.605	0.782	0.625	0.407	0.895	0.982	0.988	0.672	0.999	0.946
Compound_434	O=CC(CC1=CCC(CC1)C(C)C)C	0.979	0.171	0.478	0.593	0.145	0.159	0.789	0.931	0.58	0.999	0.801
Compound_435	CC(=O)C(C(=O)N=Nc1cccc(c1C(=O)O)C(=O)O)Nc1cc(Cl)c(cc1Cl)NC(C(=O)N=Nc1cccc(c1C(=O)O)C(=O)O)C(=O)C	0.494	0.653	0.867	0.342	0.801	0.594	0.241	0.388	0.424	0.965	0.373
Compound_436	CC(Sc1ccccc1N)CSc1ccccc1N	0.575	0.52	0.925	0.469	0.882	0.557	0.937	0.946	0.584	0.949	0.817
Compound_437	Cc1ccc(cc1)S(=O)(=O)SC1C(NC(=O)COc2ccccc2)C(=O)N1C(C(=O)OC(c1ccccc1)c1ccccc1)C(=C)C	0.555	0.358	0.681	0.44	0.701	0.636	0.564	0.937	0.367	0.427	0.529
Compound_438	COC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(S(=O)C1)C(C2=O)NC(=O)COc1ccccc1	0.505	0.398	0.388	0.443	0.742	0.269	0.441	0.469	0.21	0.977	0.223
Compound_439	CCCCCCn1c(O)cc(c(c1=O)C#N)C	0.44	0.514	0.18	0.482	0.64	0.277	0.002	0.736	0.605	0.023	0.538
Compound_440	OC(=O)C(c1ccccc1)NC(=O)C	0.002	0.21	0.034	0.194	0.004	0.01	0.028	0.003	0.154	0.011	0.029
Compound_441	CCCCCCC(C(CCCCCC)O)O	0.907	0.144	0.095	0.562	0.13	0.098	0.93	0.525	0.437	0.893	0.261
Compound_442	C[SiH](O[Si](O[SiH](C)C)(O[SiH](C)C)C)C	0.729	0.061	0.511	0.505	0.23	0.464	0.945	0.775	0.903	0.988	0.751
Compound_443	Cl[Si](CCc1ccncc1)(Cl)Cl	0.45	0.339	0.282	0.634	0.026	0.459	0.04	0.205	0.882	0.922	0.555
Compound_444	O=C(C(Cl)Cl)Nc1ccc(cc1N(=O)=O)Cl	0.964	0.348	0.963	0.622	0.827	0.387	0.979	0.998	0.543	0.996	0.331
Compound_445	CCOC(=O)c1ccc(cc1)N=NC1C(=NN(C1=O)c1ccccc1)C	0.512	0.722	0.999	0.744	0.258	0.879	0.055	0.213	0.401	0.148	0.5
Compound_446	OC(COC(=O)C(=C)C)COc1ccccc1	0.495	0.395	0.033	0.651	0.287	0.035	0.042	0.337	0.784	0.97	0.17
Compound_447	CCCCC=CCOC(=O)C	0.945	0.021	0.242	0.618	0.649	0.141	0.998	0.99	0.969	1.0	0.928
Compound_448	Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl	0.955	0.286	0.242	0.618	0.959	0.782	0.892	0.99	0.978	1.0	0.754
Compound_449	Clc1nc(nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1S(=O)(=O)[O-])C)S(=O)(=O)[O-])Nc1ccc(c(c1)Nc1nc(Cl)nc(n1)OC(C)C)S(=O)(=O)[O-]	0.722	0.523	0.996	0.532	0.75	0.69	0.891	0.989	0.447	0.841	0.432
Compound_450	Fc1ccc2c(c1)C(=O)CCO2	0.448	0.525	0.888	0.648	0.128	0.23	0.453	0.947	0.453	0.813	0.826
Compound_451	CCCCCC#CC=CC(=O)OCC	0.948	0.108	0.528	0.758	0.747	0.958	0.999	0.995	0.751	0.998	0.711
Compound_452	CCCOc1ccc(cc1c1nc(=O)c2c([nH]1)nn[nH]2)NC=C(C(=O)OCC)C(=O)OCC	0.629	0.779	0.889	0.499	0.555	0.658	0.03	0.873	0.645	0.374	0.654
Compound_453	CC(c1ccccc1)(c1ccc(cc1)OCC1OC1)C	0.244	0.616	0.726	0.725	0.96	0.97	0.939	0.977	0.711	0.948	0.868
Compound_454	COC1=CCC(=CC1)C(O)(C)C	0.758	0.38	0.175	0.55	0.306	0.153	0.198	0.978	0.637	0.484	0.933
Compound_455	CCCCNCC(CCCC)CC	0.139	0.148	0.035	0.414	0.013	0.036	0.001	0.081	0.517	0.93	0.094
Compound_456	CCCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F	0.952	1.0	0.116	0.995	0.768	0.959	0.337	0.022	0.316	0.519	0.051
Compound_457	CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC	0.102	0.083	0.004	0.213	0.032	0.211	0.131	0.01	0.329	0.094	0.247
Compound_458	C1CSC(SC1)CCC1SCCCS1	0.609	0.399	0.204	0.499	0.66	0.578	0.94	0.788	0.666	0.994	0.18
Compound_459	COc1ccc2c(c1)sc([n+]2C)N=NN(c1ccc(cc1)N(=O)=O)C	0.848	0.768	0.974	0.715	0.466	0.816	0.152	0.617	0.631	0.99	0.814
Compound_460	Cc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)C	0.668	0.621	0.992	0.716	0.711	0.416	0.085	0.9	0.479	0.988	0.737
Compound_461	COC(=O)c1cccc(c1)S(=O)(=O)NS(=O)(=O)c1cccc(c1)C(=O)OC	0.244	0.535	0.073	0.175	0.128	0.842	0.493	0.008	0.186	0.052	0.272
Compound_462	Clc1ccc2c(c1)[o+]c1c(c2c2ccccc2S(=O)(=O)[O-])ccc(c1)Cl	0.614	0.7	0.937	0.654	0.738	0.727	0.408	0.919	0.486	0.879	0.227
Compound_463	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc(=O)c2c([nH]1)ccc(c2)S(=O)(=O)[O-])CC	0.54	0.579	0.997	0.546	0.37	0.647	0.757	0.948	0.424	0.387	0.49
Compound_464	Clc1cncc(n1)N1CCNCC1	0.022	0.43	0.009	0.295	0.284	0.138	0.001	0.094	0.446	0.035	0.008
Compound_465	O=C1CSC(=S)N1CCS(=O)(=O)[O-]	0.126	0.508	0.257	0.508	0.022	0.288	0.265	0.561	0.407	0.514	0.396
Compound_466	CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)Nc1ccccc1C)CC	0.187	0.741	0.99	0.559	0.623	0.527	0.877	0.99	0.699	0.956	0.904
Compound_467	COc1ccc(c(c1)OC)NC(=O)C(C(=O)C)N=Nc1ccccc1c1onc(n1)c1ccccc1	0.369	0.734	0.979	0.703	0.874	0.761	0.93	0.877	0.457	0.822	0.651
Compound_468	O=C(c1ccccc1)Oc1ccc(cc1)C(c1ccccc1)(C)C	0.808	0.612	0.806	0.721	0.987	0.987	0.978	0.239	0.565	0.611	0.463
Compound_469	COc1cc2nc3ccc(cc3[o+]c2cc1N)N	0.278	0.807	0.995	0.683	0.577	0.548	0.981	0.985	0.915	0.872	1.0
Compound_470	BrCC(C(=O)CNc1ccc2c(c1)cc(c(c2O)N=Nc1cc(ccc1S(=O)(=O)[O-])NC(=O)C(CBr)Br)S(=O)(=O)[O-])Br	0.595	0.498	0.985	0.47	0.746	0.654	0.047	0.58	0.393	0.305	0.409
Compound_471	CC(=O)O[Si](OC(=O)C)(CC[Si](OC(=O)C)(OC(=O)C)C)C	0.612	0.032	0.132	0.461	0.121	0.379	0.824	0.975	0.898	0.19	0.783
Compound_472	OC(=O)C1=CCC2CC1C2(C)C	0.921	0.454	0.084	0.235	0.802	0.604	0.704	0.59	0.333	0.981	0.773
Compound_473	CCCC(C(=O)O)NC(=O)CN	0.001	0.057	0.005	0.154	0.019	0.0	0.0	0.0	0.225	0.004	0.027
Compound_474	CCOC(=N)CC(=O)Oc1ccccc1	0.436	0.393	0.705	0.647	0.237	0.014	0.033	0.677	0.303	0.025	0.049
Compound_475	CCC(Nc1ccccc1NC(CC)C)C	0.654	0.299	0.929	0.355	0.134	0.036	0.0	0.887	0.719	0.925	0.484
Compound_476	CCC([Si](OCC)(OCC)OCC)NC([Si](OCC)(OCC)OCC)CC	0.248	0.103	0.502	0.323	0.035	0.112	0.145	0.012	0.234	0.405	0.262
Compound_477	CCCC[Sn](SC(C(=O)OCCCC)CC(=O)OCCCC)(SC(C(=O)OCCCC)CC(=O)OCCCC)CCCC	0.656	0.072	0.15	0.663	0.952	0.967	0.995	0.948	0.511	0.994	0.715
Compound_478	CCO[Si](=O)O	0.765	0.061	0.216	0.283	0.037	0.108	0.885	0.007	0.354	0.756	0.408
Compound_479	OC(=O)C(CCCCNc1ccc(cc1N(=O)=O)N(=O)=O)N	0.636	0.154	0.554	0.33	0.634	0.11	0.0	0.585	0.351	0.042	0.408
Compound_480	OC(=O)CCC1=C(C)C2=NC1=Cc1[nH]c(c(c1CCC(=O)O)C)C=C1N=C(C=c3[nH]c(=C2)c(C)c3C(O)C)C(=C1C(O)C)C	0.567	0.571	0.223	0.24	0.738	0.652	0.876	0.091	0.161	0.069	0.775
Compound_481	O=C1CCCN1[Si](C)(C)C	0.18	0.439	0.239	0.462	0.009	0.251	0.042	0.103	0.536	0.007	0.191
Compound_482	CO[Si](C1CCC2C(C1)O2)(OC)OC	0.877	0.342	0.044	0.439	0.359	0.17	0.995	0.459	0.425	0.984	0.661
Compound_483	COc1ccc(c(c1)OC)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1OC)OC)C(=O)C	0.487	0.729	0.997	0.71	0.896	0.732	0.901	0.838	0.461	0.986	0.684
Compound_484	COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F)C	0.664	0.582	0.795	0.786	0.806	0.608	0.986	0.654	0.22	0.14	0.722
Compound_485	CC(C(C)(C)C)NC(=S)Nc1ccncc1	0.046	0.287	0.471	0.454	0.126	0.597	0.001	0.145	0.778	0.51	0.224
Compound_486	COC(=O)CN1CCOCC1	0.06	0.295	0.052	0.071	0.034	0.001	0.012	0.444	0.313	0.063	0.096
Compound_487	Cc1c(NCC#N)cccc1C	0.563	0.257	0.811	0.456	0.095	0.017	0.005	0.491	0.845	0.025	0.653
Compound_488	CCOC(=O)C(C1=CCCCC1)(C#N)C	0.942	0.353	0.877	0.684	0.715	0.143	0.906	0.988	0.436	0.936	0.945
Compound_489	CC12CCC(CS1)C(C2)(C)C	0.838	0.32	0.045	0.511	0.621	0.338	0.726	0.194	0.657	0.965	0.335
Compound_490	CC[n+]1c(C=CC=CC=CC=c2ccc3c(n2CC)cccc3)ccc2c1cccc2	0.702	0.669	0.818	0.736	0.846	0.91	0.209	0.956	0.872	0.189	0.847
Compound_491	CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)N	0.612	0.089	0.598	0.562	0.221	0.064	0.415	0.672	0.207	0.981	0.273
Compound_492	O=CC(C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C	0.996	1.0	0.098	0.637	0.795	0.976	0.036	0.358	0.268	0.999	0.401
Compound_493	FC(COc1ccc(cc1)OCC(F)(F)F)(F)F	0.88	0.192	0.833	0.731	0.894	0.563	0.969	0.746	0.184	0.971	0.823
Compound_494	COc1ccccc1OC(=O)C(c1ccc(cc1)CC(C)C)C	0.183	0.495	0.319	0.518	0.535	0.179	0.975	0.309	0.253	0.466	0.196
Compound_495	CNc1ccc(cc1N)C(=O)c1ccccc1	0.838	0.792	0.929	0.57	0.239	0.499	0.434	0.741	0.851	0.976	0.973
Compound_496	OC1CN(C(C1)C(=O)O)C(=O)OCc1ccccc1	0.031	0.329	0.017	0.274	0.008	0.033	0.122	0.458	0.198	0.39	0.198
Compound_497	C[Si](CCc1ccccc1)(Cl)C	0.773	0.456	0.414	0.644	0.081	0.44	0.997	0.799	0.82	0.905	0.491
Compound_498	CCO[Si](Cc1ccccc1)(C)C	0.712	0.313	0.216	0.569	0.044	0.266	0.987	0.263	0.481	0.975	0.358
Compound_499	C=CC(=O)OCC(COc1ccccc1)O	0.505	0.262	0.145	0.664	0.407	0.059	0.044	0.827	0.801	0.895	0.077
Compound_500	O=C(OCC(N(=O)=O)(N(=O)=O)F)CCC(N(=O)=O)(N(=O)=O)F	0.428	0.16	0.266	0.709	0.208	0.072	0.479	0.986	0.4	0.45	0.579
Compound_501	CCC(COC(=O)C=CC(=O)OCCN1CCNC1=O)O	0.196	0.377	0.018	0.408	0.529	0.077	0.007	0.846	0.448	0.471	0.196
Compound_502	OC(=O)C1OC(Oc2ccccc2N)C(C(C1O)O)O	0.14	0.609	0.284	0.435	0.153	0.131	0.084	0.294	0.234	0.267	0.557
Compound_503	CC(CCOCC1CO1)C	0.889	0.21	0.638	0.617	0.315	0.086	0.97	0.14	0.186	0.992	0.791
Compound_504	OC(c1ccc(cc1)S(=O)(=O)C)Cn1c(=N)sc2c1CCCC2	0.377	0.502	0.073	0.35	0.103	0.668	0.009	0.026	0.375	0.039	0.192
Compound_505	O=CCC(C(C)C)C	0.826	0.033	0.188	0.482	0.021	0.068	0.988	0.359	0.564	0.92	0.812
Compound_506	CCC(c1ccccc1N(=O)=O)C	0.82	0.218	0.257	0.564	0.291	0.246	0.995	0.975	0.511	0.996	0.922
Compound_507	c1ccc(nc1)C=Cc1cccnc1	0.62	0.701	0.821	0.582	0.028	0.837	0.005	0.247	0.815	0.836	0.942
Compound_508	COC(=N)C#N	0.717	0.185	0.273	0.523	0.056	0.021	0.107	0.937	0.814	0.871	0.809
Compound_509	CCCCC(CNc1ccc2c(c1N=Nc1ccc(c(c1)C)N=Nc1cccc(c1)C)cccc2)CC	0.804	0.535	0.775	0.49	0.869	0.86	0.8	0.502	0.593	0.983	0.344
Compound_510	Cc1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2	0.633	0.585	0.743	0.54	0.33	0.828	0.793	0.895	0.402	0.079	0.437
Compound_511	Cc1cccc[n+]1CCCS(=O)(=O)[O-]	0.145	0.38	0.14	0.445	0.035	0.615	0.072	0.667	0.34	0.036	0.359
Compound_512	NC(=N)c1cccc(c1)N(=O)=O	0.963	0.217	0.684	0.582	0.073	0.341	0.807	0.981	0.791	0.912	0.672
Compound_513	COCCOCCOCCO[Si](OCCOCCOCCO[Si](OCCOCCOCCOC)(C)C)(C)C	0.803	0.041	0.26	0.517	0.191	0.474	0.982	0.172	0.746	0.853	0.791
Compound_514	OC(=O)c1c(C)onc1c1ccsc1Cl	0.419	0.626	0.886	0.489	0.638	0.673	0.691	0.287	0.838	0.294	0.729
Compound_515	COC(=O)CSc1ccco1	0.214	0.316	0.668	0.553	0.236	0.569	0.987	0.904	0.464	0.139	0.823
Compound_516	Clc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)C	0.747	0.636	0.998	0.757	0.706	0.544	0.777	0.927	0.461	0.996	0.736
Compound_517	O=C(C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)C)Nc1ccc(cc1)S(=O)(=O)O	0.523	0.399	0.991	0.594	0.728	0.588	0.088	0.766	0.393	0.095	0.344
Compound_518	CC(CCCCCc1cc(O)cc(c1O)CCCCCC(C)C)C	0.87	0.326	0.725	0.526	0.53	0.229	0.48	0.65	0.258	0.958	0.352
Compound_519	N#CC(=c1c2cccc3c2c(n1CC)ccc3)C#N	0.473	0.616	0.867	0.578	0.5	0.074	0.853	0.837	0.658	0.911	0.837
Compound_520	CC1CCC(C(C1)C(=O)NC(C)C)C(C)C	0.241	0.134	0.127	0.319	0.008	0.07	0.002	0.065	0.355	0.512	0.038
Compound_521	CCCCCCCCCCC(=O)Cl	0.992	0.042	0.286	0.72	0.131	0.087	0.999	0.999	0.598	1.0	0.979
Compound_522	Oc1cc2ccccc2nc1C1=C(O)c2c(C1=O)cccc2	0.698	0.869	0.948	0.495	0.885	0.747	0.993	0.72	0.657	0.296	0.984
Compound_523	CCOc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(cc1N(=O)=O)N(=O)=O	0.838	0.755	0.89	0.736	0.87	0.707	0.891	0.91	0.414	0.964	0.877
Compound_524	CNCCCCNC	0.055	0.051	0.034	0.264	0.01	0.004	0.001	0.021	0.762	0.012	0.206
Compound_525	CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC	0.925	0.003	0.251	0.736	0.153	0.2	0.998	0.649	0.748	0.998	0.912
Compound_526	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CC(=C2)C(=O)C)C)C	1.0	0.957	0.103	0.773	0.862	0.519	0.269	0.343	0.202	0.999	0.466
Compound_527	C=CCCCCCC[Si](Cl)(C)C	0.975	0.508	0.287	0.697	0.475	0.298	0.997	0.985	0.399	0.957	0.648
Compound_528	CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N(C)C	0.099	0.115	0.001	0.102	0.036	0.027	0.142	0.103	0.373	0.005	0.103
Compound_529	O=N(=O)c1cc(N(=O)=O)c(c(c1c1c(cc(c(c1N(=O)=O)N)N(=O)=O)N(=O)=O)N(=O)=O)N	0.976	0.614	0.975	0.653	0.828	0.39	0.98	0.98	0.787	0.988	0.939
Compound_530	CCC=CC=CO	0.83	0.109	0.19	0.553	0.116	0.055	0.967	0.788	0.79	0.922	0.83
Compound_531	CN(CCCN1c2ccccc2Oc2c(C1=O)cc(cc2)N(=O)=O)C	0.505	0.721	0.005	0.367	0.604	0.687	0.046	0.616	0.428	0.752	0.397
Compound_532	O=C(c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)C(=O)N)Nc1ccccc1	0.889	0.764	0.91	0.669	0.914	0.918	0.848	0.153	0.497	0.674	0.703
Compound_533	CCCCCCCCCCCCCCCC[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_534	CC=C(CCl)Cl	0.905	0.283	0.658	0.709	0.5	0.029	0.999	0.984	0.99	0.995	0.935
Compound_535	C1CCC(CN1)Cc1ccccc1	0.085	0.188	0.049	0.306	0.008	0.092	0.0	0.031	0.53	0.042	0.002
Compound_536	CCCCCCS(=O)(=O)Cl	0.839	0.279	0.286	0.685	0.059	0.067	0.994	0.999	0.438	0.999	0.571
Compound_537	Cc1ccc(cc1C)CC([NH3+])C	0.099	0.109	0.355	0.495	0.007	0.061	0.001	0.237	0.74	0.69	0.175
Compound_538	COc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)C(=O)N	0.855	0.787	0.976	0.732	0.917	0.914	0.96	0.132	0.496	0.551	0.7
Compound_539	Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O	0.077	0.531	0.019	0.364	0.944	0.937	0.653	0.027	0.457	0.095	0.424
Compound_540	O=C(c1ccc(cc1)OC(F)(F)F)C(C)C	0.738	0.183	0.74	0.781	0.609	0.901	0.892	0.814	0.249	0.785	0.406
Compound_541	O=N(=O)c1ccc(cc1)N=Nc1c(N)c2c(O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.906	0.421	0.999	0.599	0.711	0.723	0.816	0.997	0.455	0.24	0.425
Compound_542	CCSP(=O)([O-])[O-]	0.815	0.114	0.907	0.552	0.065	0.04	0.967	0.374	0.344	0.998	0.769
Compound_543	NNCC(CN1CCOCC1)O	0.019	0.284	0.127	0.116	0.06	0.193	0.0	0.042	0.319	0.001	0.26
Compound_544	CCC(C1(CCCCCC1)C(=O)NC(CO)(C)C)C	0.086	0.124	0.024	0.265	0.15	0.164	0.058	0.097	0.37	0.007	0.103
Compound_545	CCNC(=O)C1CCCCCC1C(C)C	0.241	0.196	0.088	0.253	0.076	0.029	0.002	0.11	0.379	0.773	0.148
Compound_546	CCCCCCCCC1=NCCN1CCOCCC(=O)[O-]	0.332	0.409	0.135	0.432	0.057	0.112	0.034	0.383	0.823	0.587	0.538
Compound_547	CC(=O)OCC[Si](C)(C)C	0.91	0.103	0.201	0.607	0.062	0.237	0.958	0.558	0.905	0.303	0.384
Compound_548	C[SiH](O[Si](C)(C)C)O[SiH](O[Si](C)(C)C)C	0.749	0.069	0.156	0.629	0.328	0.464	0.962	0.974	0.903	0.967	0.543
Compound_549	COc1cc(C=CC(=O)Cl)cc(c1OC)OC	0.917	0.362	0.895	0.811	0.63	0.289	0.589	0.528	0.977	0.914	0.827
Compound_550	CCOC(=O)c1ccc2c(c1)C(=O)C(C2=O)c1nc2ccccc2cc1O	0.652	0.696	0.941	0.547	0.653	0.695	0.987	0.477	0.534	0.031	0.95
Compound_551	CCCCCCCCCCCCCCCCOc1ccc(cc1)c1[nH]c2c(c1NS(=O)(=O)c1cc(ccc1OC)N=Nc1c(O)c3c(ccc(c3cc1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)cccc2	0.674	0.769	0.827	0.474	0.714	0.653	0.712	0.738	0.416	0.952	0.446
Compound_552	CC(OP(OC(C)C)C)C	0.844	0.153	0.402	0.49	0.202	0.024	0.995	0.783	0.869	0.996	0.845
Compound_553	O=C(C(Br)C)Nc1ccccc1C	0.484	0.424	0.856	0.515	0.603	0.332	0.906	0.969	0.511	0.886	0.43
Compound_554	BrCCC(CBr)O	0.683	0.086	0.055	0.572	0.152	0.076	0.954	0.53	0.103	0.974	0.833
Compound_555	CCCCCC=CCCC	0.964	0.053	0.331	0.625	0.319	0.019	0.993	0.952	0.97	1.0	0.845
Compound_556	O=CC(=CC(Cl)(Cl)Cl)Cl	0.968	0.204	0.683	0.714	0.653	0.93	1.0	0.996	0.219	1.0	0.994
Compound_557	Oc1ccc(c(c1N=Nc1ccccc1C(=O)[O-])O)N=Nc1cccc(c1)S(=O)(=O)[O-]	0.739	0.371	0.974	0.572	0.758	0.67	0.859	0.97	0.475	0.151	0.141
Compound_558	N#CC(c1ccc(cc1)CC(C)C)C	0.781	0.128	0.237	0.552	0.36	0.084	0.65	0.693	0.696	0.952	0.528
Compound_559	CC(=O)C1CC2CC1CC2	0.979	0.467	0.154	0.449	0.109	0.063	0.31	0.167	0.305	0.998	0.687
Compound_560	COc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O	0.068	0.676	0.017	0.334	0.944	0.937	0.653	0.164	0.444	0.035	0.536
Compound_561	Clc1cc(Cl)c(cc1N=Nc1c([nH]c2c1cccc2)c1ccccc1)Cl	0.88	0.778	0.997	0.647	0.661	0.684	0.973	0.845	0.75	0.907	0.686
Compound_562	OC(=O)C(N=C(O)C)Cc1cccc(c1)F	0.175	0.37	0.027	0.286	0.042	0.028	0.06	0.007	0.131	0.006	0.012
Compound_563	OC1CCC2C1C1CCC2C1	0.928	0.348	0.048	0.467	0.607	0.737	0.291	0.164	0.301	0.922	0.135
Compound_564	[O-]S(=O)(=O)Oc1c2c(ccc3c2nc2ccc4c5c2c3ccc5c(c2c4cccc2)OS(=O)(=O)[O-])c(c2c1cccc2)OS(=O)(=O)[O-]	0.838	0.579	0.963	0.562	0.979	0.877	0.98	0.635	0.511	0.786	0.561
Compound_565	C=CCC1(C=O)CCC(=CC1)CCC=C(C)C	0.966	0.173	0.74	0.655	0.359	0.619	0.976	0.995	0.263	0.999	0.925
Compound_566	CCC(c1c2cc(ccc2ccc1S(=O)(=O)[O-])Cc1cc(ccc1O)S(=O)(=O)c1ccc(cc1)O)C	0.705	0.604	0.07	0.524	0.766	0.746	0.237	0.98	0.412	0.966	0.207
Compound_567	CCOC(=O)C(=NO)c1csc(n1)NC(c1ccccc1)(c1ccccc1)c1ccccc1	0.567	0.703	0.956	0.605	0.228	0.873	0.991	0.898	0.394	0.005	0.747
Compound_568	CC1(Cl)CCCCCCC1	1.0	0.238	0.267	0.644	0.226	0.114	0.99	0.979	0.627	0.995	0.5
Compound_569	OC(C(C)(C)C)C(n1ccnn1)Cc1ccc(cc1)Cl	0.392	0.652	0.792	0.675	0.172	0.384	0.012	0.346	0.393	0.12	0.586
Compound_570	CCCCCCCCCCOCC(CN(CCO)CCO)O	0.17	0.141	0.056	0.186	0.105	0.556	0.212	0.134	0.558	0.267	0.163
Compound_571	ClCCCC(OCC)(OCC)[SiH3]	0.882	0.074	0.487	0.654	0.328	0.371	0.999	0.976	0.057	0.997	0.976
Compound_572	CCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.969	0.11	0.347	0.464	0.285	0.111	1.0	0.98	0.718	1.0	0.253
Compound_573	CO[Si](CCCOC(=O)C(=C)C)(OC)C	0.951	0.064	0.071	0.638	0.477	0.158	0.991	0.962	0.934	0.993	0.867
Compound_574	O=N(=O)c1c(ccc(c1C)C)N(=O)=O	0.939	0.263	0.793	0.543	0.674	0.044	0.996	0.631	0.788	0.998	0.915
Compound_575	COCC(C(C(F)(F)F)F)(F)F	0.903	0.095	0.814	0.651	0.182	0.032	0.994	0.744	0.397	0.988	0.934
Compound_576	CN1c2cc3n(C)c(=O)cc(c3cc2C(C1C)(C)C)C(F)(F)F	0.647	0.563	0.349	0.537	0.802	0.499	0.939	0.784	0.778	0.311	0.448
Compound_577	CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCCNC(=N)N	0.058	0.097	0.013	0.168	0.049	0.285	0.117	0.049	0.256	0.006	0.044
Compound_578	CCCCC(COC(=O)CS[Sn](SCC(=O)OCC(CCCC)CC)(C)C)CC	0.718	0.068	0.091	0.644	0.929	0.966	0.996	0.812	0.682	0.973	0.703
Compound_579	O=C(C1OCCNC1)O[n+]1ccccc1	0.109	0.416	0.057	0.371	0.034	0.163	0.046	0.157	0.185	0.022	0.51
Compound_580	O=C(NC(c1ccccc1)C(=O)O)OCc1ccccc1	0.022	0.621	0.123	0.228	0.095	0.647	0.945	0.759	0.234	0.09	0.483
Compound_581	OCCO[Si](OCCO)(OCCO)OCCO	0.748	0.082	0.103	0.481	0.169	0.335	0.067	0.457	0.161	0.284	0.437
Compound_582	O=C(c1ccncc1)c1ccccc1	0.64	0.674	0.504	0.546	0.033	0.43	0.002	0.008	0.571	0.768	0.908
Compound_583	OC(=O)CCC=CCCC=CCCC(=O)O	0.282	0.07	0.172	0.118	0.472	0.019	0.493	0.079	0.287	0.779	0.243
Compound_584	OC(=O)CCC=CCCC(=O)O	0.458	0.07	0.172	0.127	0.398	0.017	0.898	0.079	0.287	0.779	0.243
Compound_585	O=CC(C(C1OC(C)OCC1O)O)O	0.096	0.214	0.044	0.464	0.089	0.473	0.02	0.123	0.201	0.335	0.021
Compound_586	CC(C1CCC(CC1)OCC1OC1)(C1CCC(CC1)OCC1OC1)C	0.982	0.605	0.087	0.528	0.95	0.223	0.928	0.268	0.788	0.939	0.898
Compound_587	N#CCC(=NC#N)N1CCCCC1	0.216	0.328	0.161	0.532	0.071	0.224	0.001	0.702	0.667	0.322	0.306
Compound_588	Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O	0.72	0.362	1.0	0.702	0.744	0.688	0.67	0.915	0.446	0.157	0.32
Compound_589	Nc1ccc(c(c1N=Nc1ccc(cc1)S(=O)(=O)[O-])N)N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.876	0.33	0.992	0.561	0.779	0.733	0.226	0.997	0.354	0.229	0.097
Compound_590	CC(c1ccc(cc1)C=NO)C	0.519	0.319	0.758	0.521	0.057	0.308	0.185	0.159	0.634	0.906	0.684
Compound_591	CCOC(=O)c1cn2nc(cc2nc1C)O	0.308	0.5	0.851	0.559	0.54	0.63	0.019	0.017	0.251	0.011	0.558
Compound_592	OC(=O)C=CC1C2CCC(C1(C)C)C2	0.952	0.341	0.016	0.309	0.906	0.406	0.696	0.36	0.787	0.946	0.391
Compound_593	CN([Si](N(C)C)(Cl)C)C	0.476	0.207	0.283	0.656	0.158	0.14	0.406	0.992	0.86	0.828	0.577
Compound_594	OCCN(CC(O)C)CC(O)C	0.034	0.059	0.118	0.116	0.041	0.025	0.008	0.418	0.149	0.029	0.056
Compound_595	OC1c2ccccc2C=Cc2c1cccc2	0.606	0.763	0.539	0.612	0.272	0.203	0.902	0.371	0.591	0.973	0.941
Compound_596	COC(=O)C(OC)C	0.625	0.054	0.249	0.467	0.02	0.014	0.99	0.644	0.317	0.77	0.697
Compound_597	N#CSCCC[Si](OC)(OC)OC	0.831	0.061	0.077	0.551	0.124	0.179	0.991	0.95	0.685	0.267	0.8
Compound_598	CC(=O)c1ccc2c(c1)CCN2	0.538	0.298	0.823	0.329	0.044	0.435	0.062	0.611	0.91	0.006	0.132
Compound_599	C=CCc1cccc(c1O)OCC(CNC(C)C)O	0.022	0.223	0.006	0.147	0.066	0.007	0.03	0.085	0.174	0.03	0.041
Compound_600	OCC1COC(O1)C=C	0.782	0.152	0.117	0.568	0.332	0.431	0.364	0.93	0.307	0.393	0.5
Compound_601	C=CC1OCC(CO1)O	0.799	0.317	0.167	0.597	0.279	0.367	0.358	0.975	0.381	0.425	0.101
Compound_602	NC1=NCCCC1	0.032	0.233	0.206	0.461	0.028	0.059	0.002	0.31	0.76	0.09	0.005
Compound_603	CCCCCCCCCCCC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)OC(=O)CCCCCCCCCCC	0.723	0.564	0.265	0.609	0.967	0.956	0.995	0.969	0.121	0.913	0.733
Compound_604	CCOc1ccccc1N=NC1C(=NN(C1=O)c1ccccc1)C	0.473	0.722	0.978	0.664	0.328	0.538	0.018	0.848	0.398	0.306	0.558
Compound_605	OCCCCCCC=CC#CCC	0.908	0.259	0.123	0.558	0.245	0.85	0.943	0.718	0.211	0.96	0.574
Compound_606	COc1cc(OC)c(cc1N=NC1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)C)S(=O)(=O)O	0.458	0.537	0.982	0.427	0.625	0.643	0.039	0.599	0.407	0.625	0.375
Compound_607	CC(C(C(C)C)NCCNC(C(C)C)C(C)C)C	0.017	0.04	0.024	0.23	0.024	0.051	0.012	0.012	0.223	0.127	0.249
Compound_608	CC(C(=O)O)SC	0.243	0.111	0.046	0.273	0.132	0.012	0.982	0.128	0.375	0.064	0.544
Compound_609	CCO[Si](CCC(S)C)(OCC)OCC	0.911	0.08	0.153	0.517	0.156	0.211	0.999	0.259	0.568	0.998	0.513
Compound_610	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCC=CCC	0.941	0.009	0.299	0.704	0.566	0.132	0.999	0.964	0.416	1.0	0.942
Compound_611	OC(=O)C1OC(Oc2ccccc2)C(C(C1O)O)O	0.197	0.501	0.024	0.401	0.189	0.08	0.011	0.09	0.142	0.479	0.138
Compound_612	O=C(NC(C(=O)O)CCCN(C(=O)OCc1ccccc1)C(=N)NC(=O)OCc1ccccc1)OCc1ccccc1	0.12	0.526	0.087	0.313	0.364	0.92	0.825	0.957	0.352	0.772	0.411
Compound_613	N#CSc1cc(Cl)c(c(c1)Cl)O	0.642	0.289	0.36	0.648	0.738	0.647	0.983	0.67	0.612	0.981	0.972
Compound_614	COc1ccc2c(c1)c1cc3C(C)N(C)CCc3c(c1[nH]2)C	0.238	0.747	0.518	0.331	0.797	0.741	0.925	0.06	0.521	0.1	0.566
Compound_615	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-]	0.494	0.538	0.721	0.507	0.705	0.646	0.864	0.975	0.388	0.052	0.552
Compound_616	OCC(CS(=O)(=O)O)O	0.155	0.159	0.01	0.228	0.14	0.236	0.284	0.135	0.336	0.336	0.259
Compound_617	ClCCN1CCCC(C1)C	0.492	0.245	0.053	0.16	0.148	0.106	0.045	0.847	0.67	0.336	0.196
Compound_618	OC(=O)c1cncs1	0.222	0.509	0.32	0.305	0.136	0.476	0.453	0.098	0.681	0.007	0.462
Compound_619	C=CC1CN2CCC1CC2Cc1ccnc2c1cc(OC)cc2	0.076	0.686	0.738	0.356	0.349	0.678	0.045	0.169	0.736	0.4	0.326
Compound_620	O=C(C(F)(F)F)Cc1cccs1	0.683	0.376	0.66	0.596	0.238	0.516	0.982	0.979	0.474	0.974	0.82
Compound_621	O=C1ON=C(C1=Cc1c(O)onc1C)C	0.592	0.384	0.444	0.464	0.599	0.315	0.57	0.639	0.537	0.826	0.876
Compound_622	NNN=N#N	0.842	0.222	0.412	0.434	0.633	0.142	0.055	0.239	0.958	0.447	0.492
Compound_623	CCCCC(C(OC)OC)CC	0.904	0.044	0.272	0.506	0.034	0.064	0.996	0.869	0.587	0.997	0.864
Compound_624	OC(=O)Cn1[nH]nnc1=S	0.044	0.29	0.051	0.285	0.031	0.32	0.001	0.04	0.422	0.065	0.48
Compound_625	CCCCCCCCCCC(=O)CCCCC	0.979	0.019	0.315	0.548	0.062	0.095	1.0	0.667	0.693	1.0	0.929
Compound_626	CCCC1OC(=O)C=C1	0.977	0.156	0.091	0.603	0.417	0.143	0.99	0.987	0.835	0.982	0.35
Compound_627	CCCC[Sn](O[Si](O[Sn](OC(=O)C)(CCCC)CCCC)(O[Sn](OC(=O)C)(CCCC)CCCC)O[Sn](OC(=O)C)(CCCC)CCCC)(OC(=O)C)CCCC	0.812	0.04	0.144	0.53	0.94	0.796	0.996	0.994	0.95	0.944	0.749
Compound_628	O=C1NC(=O)C(C1C)(C)C	0.067	0.311	0.134	0.249	0.044	0.019	0.027	0.066	0.458	0.339	0.606
Compound_629	CCCCCCCCC1CCC(c2c1cccc2)C	0.874	0.347	0.384	0.567	0.218	0.181	0.775	0.922	0.892	1.0	0.885
Compound_630	Clc1cccc(c1)C(=O)Nc1ccc(c(c1)N)S(=O)(=O)[O-]	0.825	0.459	0.987	0.68	0.644	0.553	0.481	0.933	0.344	0.724	0.24
Compound_631	COc1ccc2c3c1OC1C43CCN(C(C2)C24CCC1(OC)C(C2)C(=O)C)C	0.59	0.757	0.037	0.221	0.44	0.622	0.08	0.131	0.164	0.468	0.844
Compound_632	OC(=O)C(c1cscc1)C1CCCCC1	0.56	0.291	0.032	0.264	0.332	0.409	0.966	0.009	0.367	0.218	0.044
Compound_633	OC(=O)C1CCC2C31CCC(C3)C(C2=C)(C)C	0.836	0.518	0.1	0.291	0.663	0.07	0.029	0.893	0.054	0.979	0.735
Compound_634	CC(C(=O)OC(COC(=O)C(C)C)COC(=O)C(C)C)C	0.855	0.035	0.228	0.663	0.119	0.023	0.966	0.151	0.184	0.524	0.871
Compound_635	C1CCC(CC1)c1ccccc1OP(Oc1ccccc1C1CCCCC1)Oc1ccccc1C1CCCCC1	0.724	0.574	0.361	0.621	0.971	0.614	0.988	0.8	0.601	0.991	0.717
Compound_636	COC1CCCO1	0.789	0.247	0.17	0.515	0.024	0.085	0.998	0.886	0.598	0.858	0.827
Compound_637	O=C(Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.764	0.492	0.999	0.617	0.784	0.721	0.796	0.996	0.423	0.056	0.288
Compound_638	OCC1OC(OC2OC=C3C4C2C(=CC4OC3=O)COC(=O)C)C(C(C1O)O)O	0.655	0.639	0.005	0.488	0.766	0.582	0.716	0.473	0.724	0.703	0.081
Compound_639	N#CCC=COC(=O)C	0.806	0.11	0.23	0.619	0.458	0.027	0.998	0.996	0.818	0.874	0.892
Compound_640	Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1O)C(=O)[O-]	0.761	0.438	0.992	0.643	0.813	0.714	0.954	0.955	0.423	0.111	0.216
Compound_641	OCC(C(C(C(=O)CO)O)OC1OC(CO)C(C(C1O)O)O)O	0.09	0.182	0.018	0.345	0.134	0.436	0.021	0.011	0.259	0.595	0.007
Compound_642	COc1ccc(cc1Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-])C	0.531	0.483	0.935	0.504	0.666	0.647	0.939	0.361	0.4	0.1	0.447
Compound_643	N#Cc1cccc(c1O)O	0.95	0.197	0.691	0.664	0.671	0.059	0.892	0.864	0.785	0.366	0.89
Compound_644	O=C1OCCCCCCCCCCO1	0.93	0.139	0.244	0.57	0.15	0.149	0.991	0.901	0.708	0.981	0.591
Compound_645	ClCC1CCC[NH+](C1)C	0.123	0.177	0.253	0.468	0.022	0.051	0.002	0.54	0.436	0.01	0.135
Compound_646	CCCCO[Sn](OCCCC)(Cl)Cl	0.631	0.35	0.221	0.7	0.897	0.947	0.999	0.989	0.737	0.987	0.734
Compound_647	ClCC(c1cc2c(o1)c(CC)cc(c2)Br)O	0.262	0.424	0.831	0.445	0.626	0.645	0.876	0.469	0.587	0.689	0.835
Compound_648	O=N(=O)C=C1CCCN1Cc1ccccc1	0.119	0.529	0.047	0.139	0.031	0.794	0.124	0.126	0.68	0.336	0.721
Compound_649	O=CNCCc1ccc(c(c1)OC)OC	0.043	0.273	0.61	0.311	0.007	0.249	0.002	0.153	0.211	0.001	0.0
Compound_650	Clc1nc(Nc2cc(cc3c2c(O)c(c(c3)S(=O)(=O)[O-])N=Nc2ccccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)Cl)Cl	0.827	0.413	0.999	0.591	0.745	0.702	0.612	0.986	0.498	0.47	0.35
Compound_651	OCCNc1c(Cl)c(Cl)c(c(c1Cl)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)NCCO	0.206	0.563	0.955	0.562	0.539	0.789	0.315	0.29	0.466	0.095	0.755
Compound_652	CCCCCC(=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	0.317	0.378	0.071
Compound_653	c1ccc(cc1)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.319	0.68	0.992	0.844	0.816	0.645	0.982	0.837	0.768	0.954	0.947
Compound_654	O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccccc1)cccc2	0.793	0.58	0.393	0.273	0.061	0.684	0.005	0.024	0.489	0.015	0.056
Compound_655	CCOC(=O)C(c1ccccc1)N	0.074	0.186	0.837	0.68	0.012	0.027	0.092	0.017	0.214	0.009	0.089
Compound_656	CC(CN(C1CCCCC1)CC(O)C)O	0.213	0.178	0.04	0.092	0.041	0.183	0.005	0.053	0.29	0.053	0.131
Compound_657	COC(=O)C12CC3CC(C1)(C)CC(C2)(C3)Br	0.904	0.376	0.145	0.582	0.626	0.285	0.988	0.976	0.302	0.978	0.778
Compound_658	CC(=O)OCC(=O)C1(Br)C(C)CC2C1(C)CC1OC31C2CCC1=CC(=O)C=CC31C	0.921	1.0	0.339	0.926	0.888	0.787	0.184	0.661	0.208	0.957	0.452
Compound_659	OCCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.163	0.477	0.011	0.337	0.155	0.12	0.002	0.058	0.159	0.003	0.096
Compound_660	CCN(c1ccc(c(c1)C)N=Nc1ccc(cc1Cl)N(=O)=O)CCC(CC)(CC)Cl	0.836	0.58	0.688	0.718	0.684	0.834	0.996	0.958	0.591	0.69	0.868
Compound_661	NCCNS(=O)(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F	0.158	0.308	0.07	0.398	0.249	0.121	0.086	0.115	0.349	0.049	0.594
Compound_662	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_663	CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CC)C	0.924	0.812	0.038	0.671	0.086	0.854	0.992	0.606	0.93	0.099	0.254
Compound_664	C=CC(OC(=O)C)(CCC1OC1(C)CC)C	0.98	0.266	0.029	0.675	0.937	0.166	0.963	0.999	0.473	1.0	0.875
Compound_665	OCCOC(=O)c1ccccc1C(=O)O	0.45	0.097	0.358	0.41	0.116	0.099	0.905	0.023	0.396	0.557	0.535
Compound_666	CCCCCCCCCC[Si](Cl)(Cl)C	0.992	0.52	0.607	0.706	0.248	0.301	0.995	0.972	1.003	0.995	0.747
Compound_667	OCC1OC(C(C1O)OP(=O)(OCC1OC(C(C1O)O)n1ccc(nc1=O)N)O)n1cnc2c1c(N)ncn2	0.655	0.652	0.07	0.552	0.433	0.551	0.013	0.014	0.378	0.03	0.621
Compound_668	O=C1NCC2C1CCCC2	0.235	0.414	0.046	0.212	0.013	0.055	0.002	0.115	0.493	0.078	0.103
Compound_669	Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])N=Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])N=Nc1ccccc1	0.762	0.443	0.997	0.679	0.834	0.749	0.794	0.996	0.491	0.24	0.199
Compound_670	CC(CCC=C(C)C)CCOC(=O)C=Cc1ccccc1	0.978	0.218	0.595	0.752	0.311	0.51	0.996	0.98	0.548	0.997	0.756
Compound_671	CCCCCCCCCCCCCCCCC(C(=O)O)CC	0.754	0.01	0.072	0.2	0.115	0.023	0.992	0.226	0.08	0.854	0.358
Compound_672	CCOC(=O)C(Cl)(Cl)C	0.854	0.061	0.822	0.727	0.122	0.194	0.999	0.915	0.431	0.878	0.958
Compound_673	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_674	CCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_675	CCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN1C(=O)CC(C1=O)C=CCCCCCCCCCCCCCCCCCC	0.251	0.453	0.016	0.461	0.327	0.279	0.561	0.051	0.352	0.602	0.771
Compound_676	O=C(c1cc2ccccc2c(c1O)N=Nc1cc(ccc1Cl)C(=O)N)Nc1ccccc1	0.9	0.672	0.939	0.683	0.903	0.818	0.912	0.25	0.503	0.838	0.908
Compound_677	CC[N+]1=C(C)CCC1	0.194	0.528	0.341	0.551	0.01	0.109	0.009	0.476	0.755	0.885	0.641
Compound_678	Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])cccc2	0.821	0.528	0.955	0.603	0.853	0.739	0.936	0.995	0.466	0.706	0.17
Compound_679	CC(CC(C)(C)C)CCOC(=O)C(=C)C	0.968	0.031	0.066	0.54	0.566	0.092	0.962	0.891	0.819	0.994	0.919
Compound_680	CC(Cc1ccccc1)N=C=S	0.233	0.27	0.722	0.518	0.017	0.859	0.759	0.679	0.658	0.97	0.813
Compound_681	CCO[Si](N(C(=O)c1ccccc1)C)(N(C(=O)c1ccccc1)C)C	0.6	0.747	0.218	0.55	0.042	0.557	0.588	0.171	0.388	0.153	0.482
Compound_682	O=COC1CC(C)C2C(C(=C1)C)CC(=C(C)C)C2	0.953	0.427	0.2	0.6	0.708	0.315	0.786	0.997	0.542	1.0	0.904
Compound_683	Nc1cc(C)c(c(c1)C)O	0.285	0.349	0.751	0.536	0.185	0.455	0.904	0.843	0.881	0.369	0.881
Compound_684	CCCCCOC(OCC)C	0.82	0.045	0.434	0.588	0.052	0.094	0.997	0.861	0.548	0.999	0.9
Compound_685	CCN1CCCC(C1)O	0.085	0.196	0.033	0.129	0.004	0.017	0.003	0.109	0.205	0.416	0.024
Compound_686	CCC#CCC1CO1	0.813	0.22	0.228	0.543	0.143	0.686	0.991	0.648	0.75	0.998	0.818
Compound_687	c1ccc(cc1)C12OCC(O1)Cn1c2nc2c1cccc2	0.234	0.596	0.682	0.508	0.457	0.654	0.044	0.34	0.439	0.356	0.495
Compound_688	C[N+](CCC[N+](C)(C)C)(C)C	0.256	0.556	0.045	0.545	0.027	0.042	0.013	0.156	0.118	0.006	0.137
Compound_689	C=CCCC(=O)C1=CC(C)CC(C1)(C)C	0.991	0.2	0.276	0.617	0.314	0.153	0.524	0.99	0.265	1.0	0.85
Compound_690	CCC(C)(C)[O-]	0.809	0.045	0.051	0.56	0.02	0.005	0.786	0.818	0.658	0.987	0.926
Compound_691	CCCCCCC(CCCCCCCCCCC(=O)N(CCCC)CCCC)O	0.691	0.092	0.053	0.55	0.014	0.627	0.177	0.147	0.171	0.245	0.182
Compound_692	ON(S(=O)(=O)O)S(=O)(=O)O	0.856	0.167	0.029	0.22	0.712	0.353	0.187	0.658	0.369	0.266	0.402
Compound_693	CCCCCC(c1ccco1)O	0.377	0.262	0.133	0.469	0.059	0.204	0.562	0.635	0.334	0.518	0.245
Compound_694	CCN(c1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)C)CC	0.326	0.464	0.102	0.281	0.315	0.556	0.201	0.25	0.179	0.618	0.253
Compound_695	CCc1ccc(nc1)c1ccccc1	0.396	0.629	0.911	0.76	0.093	0.355	0.006	0.845	0.382	0.284	0.801
Compound_696	COC(=O)c1c(OC)cc(cc1OC)O	0.633	0.189	0.911	0.581	0.682	0.349	0.566	0.006	0.732	0.165	0.209
Compound_697	COC(=O)C1(CC[NH+](CC1)CCc1ccccc1)NC(=O)C(c1ccccc1)C	0.117	0.518	0.078	0.259	0.03	0.06	0.129	0.239	0.387	0.0	0.224
Compound_698	CCOC(=O)C=COC(=O)C	0.931	0.05	0.827	0.747	0.63	0.463	0.999	0.978	0.874	0.969	0.935
Compound_699	C=CC(CCC(C(=C)C)OC(=O)C)C	0.962	0.025	0.235	0.643	0.563	0.052	0.912	0.999	0.791	0.993	0.898
Compound_700	N#CC(c1cc(C)c(cc1Cl)N)c1ccc(cc1)Cl	0.696	0.64	0.918	0.478	0.948	0.715	0.992	0.946	0.786	0.997	0.946
Compound_701	CC(C(=O)NC(=CC(=O)N)C)C	0.095	0.107	0.068	0.303	0.106	0.012	0.028	0.782	0.241	0.5	0.715
Compound_702	CCCCOCCOC(=O)C(c1ccccc1)N1CCCCC1	0.106	0.335	0.07	0.332	0.032	0.022	0.017	0.267	0.441	0.431	0.052
Compound_703	C=CCCC(=O)C1=CC(CC(C1)C)(C)C	0.995	0.2	0.258	0.576	0.314	0.153	0.524	0.989	0.233	1.0	0.85
Compound_704	C=CC(CC(=O)C1=CCCC(C1)(C)C)C	0.991	0.166	0.306	0.638	0.314	0.153	0.524	0.994	0.667	0.999	0.85
Compound_705	CCCCCCCCCCCCCCN(CC(O)C)CC(O)C	0.566	0.075	0.053	0.115	0.061	0.599	0.29	0.141	0.486	0.295	0.234
Compound_706	CCC1Oc2c(C1)cc(cc2)CC(=O)O	0.177	0.31	0.2	0.262	0.227	0.532	0.577	0.037	0.254	0.856	0.285
Compound_707	ClC(=O)c1c(F)cccc1F	0.985	0.093	0.778	0.718	0.075	0.117	0.999	0.996	0.666	0.999	0.743
Compound_708	CC([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl	0.87	0.185	0.36	0.627	0.173	0.359	0.966	0.94	0.876	0.999	0.69
Compound_709	CC=C[Si](Cl)(Cl)Cl	0.866	0.195	0.7	0.679	0.327	0.17	0.995	0.976	0.965	1.0	0.702
Compound_710	Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)N=Nc1ccc(cc1S(=O)(=O)[O-])c1ccc(cc1)N=Nc1c(C)nn(c1O)c1ccc(cc1)S(=O)(=O)[O-]	0.746	0.509	0.672	0.61	0.777	0.653	0.692	0.972	0.403	0.18	0.22
Compound_711	CCCCCCCCCCCCCCCCNC(=O)C=CC(=O)O	0.159	0.091	0.019	0.269	0.375	0.541	0.427	0.247	0.647	0.118	0.055
Compound_712	CCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.239	0.378	0.014	0.331	-0.0	0.428	0.571	0.109	0.424	0.018	0.101
Compound_713	CC(C(c1cccc(c1)C(F)(F)F)O)O	0.095	0.159	0.052	0.573	0.328	0.133	0.752	0.42	0.154	0.37	0.58
Compound_714	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O	0.952	0.189	0.483	0.658	0.681	0.166	1.0	0.996	0.872	0.999	0.798
Compound_715	Sc1ccnc2c1ccc(c2)C(F)(F)F	0.565	0.529	0.844	0.617	0.392	0.408	0.938	0.747	0.905	0.975	0.93
Compound_716	CC(=O)OCC(C1CCC2(C(C1)O2)C)C	0.916	0.265	0.003	0.582	0.71	0.098	0.836	0.459	0.777	0.991	0.606
Compound_717	COC1N(C)C(=O)N(C1OC)C	0.059	0.259	0.212	0.423	0.044	0.014	0.001	0.043	0.487	0.174	0.238
Compound_718	Cc1c(CCO)sc[n+]1C	0.393	0.437	0.89	0.519	0.042	0.675	0.533	0.597	0.264	0.005	0.632
Compound_719	COC(=S)SCC(=O)O	0.332	0.09	0.091	0.234	0.084	0.052	0.938	0.715	0.461	0.128	0.555
Compound_720	CCCCCCCCCCCCCCCCS(=O)(=O)NN=C(c1ccccc1Cl)N1CCCCC1	0.46	0.439	0.821	0.464	0.152	0.816	0.13	0.056	0.405	0.728	0.37
Compound_721	COc1ccc(cc1)C(C(=O)O)O	0.033	0.096	0.104	0.337	0.227	0.07	0.733	0.033	0.236	0.166	0.074
Compound_722	CCN1CCSC1=CC=C1SC(=S)N(C1=O)CC	0.392	0.55	0.074	0.304	0.251	0.589	0.224	0.531	0.534	0.998	0.591
Compound_723	Cc1cc[n+](o1)C(C)(C)C	0.125	0.274	0.918	0.61	0.087	0.105	0.002	0.914	0.257	0.821	0.851
Compound_724	C=CC[Si](c1ccccc1)(c1ccccc1)CC=C	0.88	0.587	0.743	0.678	0.466	0.512	0.999	0.963	0.396	0.996	0.528
Compound_725	CCCCCCCCCCCCC(C(=O)O)Br	0.735	0.031	0.067	0.463	0.731	0.132	0.952	0.991	0.124	0.972	0.649
Compound_726	CC=CCCCl	0.921	0.087	0.308	0.675	0.472	0.032	0.996	0.966	0.958	0.982	0.914
Compound_727	CCCCCCNc1[nH]cnc2c1ncn2	0.15	0.459	0.615	0.377	0.278	0.788	0.001	0.714	1.004	0.461	0.088
Compound_728	CCCCCCC=CCCCCCCCCO	0.981	0.078	0.123	0.558	0.364	0.3	0.991	0.632	0.227	0.947	0.622
Compound_729	CCCCOC(=O)OOC(=O)OCCCC	0.802	0.033	0.136	0.624	0.149	0.102	0.988	0.328	0.795	0.924	0.458
Compound_730	CCCCCCCCCCCCCCCCCCOCC1CO1	0.982	0.218	0.15	0.705	0.452	0.395	0.998	0.929	0.95	0.999	0.916
Compound_731	CC(CC1OCCC(O1)C)CCC=C(C)C	0.931	0.237	0.293	0.604	0.058	0.068	0.905	0.987	0.511	0.96	0.687
Compound_732	CC(C1CC(=O)OC1=O)C=C(CC(CC(C)C)C)C	0.895	0.265	0.854	0.571	0.334	0.013	0.995	0.993	0.649	0.953	0.93
Compound_733	CCC=CO	0.809	0.118	0.133	0.547	0.146	0.02	0.967	0.772	0.79	0.893	0.745
Compound_734	BrCc1ccc(cc1)N=Nc1ccccc1	0.945	0.822	0.97	0.753	0.623	0.905	1.0	0.943	0.873	0.989	0.895
Compound_735	O=C(c1cc(N=Nc2ccccc2)c2c(c1O)cccc2)Nc1ccc(cc1)Oc1ccc(cc1)C(C)(C)C	0.921	0.746	0.997	0.745	0.98	0.969	0.866	0.898	0.511	0.869	0.772
Compound_736	C=Cc1ccccc1C(Cl)(Cl)Cl	0.968	0.346	0.584	0.702	0.206	0.378	0.994	0.981	0.158	0.999	0.683
Compound_737	COc1ccc(cc1)NNC(=O)c1ccc(cc1)Cl	0.392	0.755	0.947	0.489	0.571	0.888	0.933	0.011	0.496	0.974	0.345
Compound_738	[NH3+]C1CCSc2c1cccc2	0.221	0.355	0.135	0.463	0.224	0.406	0.009	0.527	0.363	0.65	0.265
Compound_739	Clc1cccc[n+]1C	0.529	0.291	0.684	0.596	0.043	0.19	0.439	0.988	0.951	0.79	0.203
Compound_740	C#CC1(CCC2C1(C)CCC1C2CCC2C1(C)CC=CC2)OC(=O)C	0.989	0.885	0.06	0.658	0.968	0.89	0.196	0.977	0.095	1.0	0.418
Compound_741	COc1ccc(cc1OC)CCN(CCCC1(c2ccc(c(c2)OC)OC)S(=O)(=O)CCCS1(=O)=O)C	0.258	0.648	0.023	0.076	0.432	0.736	0.007	0.024	0.352	0.451	0.218
Compound_742	CCC#CCC1CCCC1=O	0.889	0.3	0.294	0.494	0.054	0.814	0.936	0.103	0.337	0.999	0.689
Compound_743	CC(C=O)CSC	0.66	0.096	0.213	0.499	0.081	0.248	0.994	0.083	0.511	0.973	0.899
Compound_744	CC(=O)OC1N=C(c2c(NC1=O)ccc(n2)Cl)c1ccccc1Cl	0.573	0.685	0.932	0.538	0.585	0.612	0.144	0.834	0.611	0.106	0.473
Compound_745	[O-]C(=O)c1ccc2c(c1)C(=O)C(C2=O)c1ccc2c(n1)ccc(c2)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-]	0.611	0.566	0.999	0.617	0.628	0.684	0.98	0.979	0.446	0.028	0.316
Compound_746	CC1(C)SC2N(C1C(=O)O)C(=O)C2NC(=O)C(c1ccccc1)NCNC(=O)C1=C(O)C(N(C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O	0.386	0.579	-0.0	0.091	0.781	0.577	0.033	0.178	0.333	0.17	0.318
Compound_747	OC(=O)C(c1cccc(c1)Cl)O	0.035	0.149	0.568	0.396	0.174	0.074	0.895	0.056	0.21	0.252	0.345
Compound_748	COCC=Cc1ccccc1	0.937	0.188	0.868	0.742	0.051	0.239	0.992	0.851	0.831	0.968	0.4
Compound_749	Oc1cc(ccc1N=Nc1c(N)ccc2c1cccc2)N(=O)=O	0.986	0.715	0.988	0.664	0.869	0.593	0.994	0.994	0.577	0.963	0.986
Compound_750	NCc1ccc(c(c1)O)O	0.375	0.101	0.583	0.563	0.126	0.081	0.002	0.898	0.114	0.003	0.181
Compound_751	c1ccc2c(c1)C1Cc3c(C1C2)cccc3	0.601	0.545	0.946	0.538	0.5	0.419	0.864	0.681	0.382	1.0	0.965
Compound_752	CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(n1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1cc(OC)ccc1OC	0.488	0.817	0.558	0.478	0.617	0.687	0.353	0.221	0.424	0.759	0.689
Compound_753	CCCCCCCCCCCCc1ccccc1C[S+](C)C	0.693	0.312	0.585	0.539	0.259	0.193	0.996	0.83	0.838	0.988	0.781
Compound_754	COC(=O)c1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(cc1)NC(=O)C)C(=O)Nc1cccc(c1Cl)Cl	0.789	0.793	0.982	0.705	0.826	0.719	0.951	0.867	0.427	0.986	0.607
Compound_755	Clc1cc(ccc1N=Nc1ccc(c2c1cccc2S(=O)(=O)[O-])Nc1ccccc1)N(=O)=O	0.956	0.529	0.992	0.612	0.691	0.723	0.828	0.997	0.471	0.979	0.4
Compound_756	OCCN(c1ccc(cc1)C1=[N+](C)c2c3c1cccc3c(cc2)Br)CC	0.745	0.521	0.258	0.528	0.594	0.654	0.878	0.6	0.436	0.48	0.331
Compound_757	CC(CC)CC=O	0.826	0.055	0.188	0.416	0.023	0.107	0.991	0.278	0.717	0.986	0.882
Compound_758	CC(CCCCCC(=O)Cl)C	0.99	0.06	0.743	0.672	0.117	0.079	0.997	0.997	0.102	0.997	0.949
Compound_759	O=N(=O)c1cc(cc(c1OCC(N(=O)=O)(N(=O)=O)F)N(=O)=O)N(=O)=O	0.771	0.431	0.874	0.728	0.767	0.84	0.95	0.973	0.733	0.177	0.88
Compound_760	ClCCO[Si](OCCCl)(C)C	0.954	0.141	0.41	0.648	0.054	0.18	0.994	0.984	0.93	0.68	0.958
Compound_761	ClCC(C[Si](Cl)(Cl)Cl)C	0.935	0.247	0.195	0.652	0.487	0.379	0.993	0.795	0.876	0.999	0.712
Compound_762	ClCC(C[Si](Cl)(C)C)C	0.964	0.382	0.195	0.646	0.229	0.34	0.993	0.655	0.876	0.989	0.573
Compound_763	COC(=O)CC[Si](Cl)(Cl)Cl	0.821	0.165	0.274	0.709	0.058	0.144	1.0	0.987	0.457	0.781	0.729
Compound_764	CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(C)C	0.872	0.073	0.027	0.68	0.47	0.397	0.994	0.929	0.929	0.989	0.622
Compound_765	CCO[SiH2]OCC	0.872	0.09	0.741	0.512	0.027	0.079	0.971	0.132	0.461	1.0	0.864
Compound_766	ClCCC[Si](OC)(C)C	0.97	0.217	0.042	0.651	0.146	0.184	0.999	0.993	0.064	0.614	0.679
Compound_767	CC([Si](Cl)(Cl)Cl)(C)C	0.887	0.206	0.428	0.632	0.063	0.154	0.992	0.936	0.947	0.998	0.622
Compound_768	OCC(C(CO)(C)C)O	0.544	0.169	0.04	0.415	0.049	0.042	0.796	0.053	0.189	0.289	0.081
Compound_769	CCN(C(=O)C(C(=O)C)Cl)CC	0.388	0.153	0.395	0.598	0.43	0.154	0.944	0.991	0.384	0.93	0.788
Compound_770	CCC(=Cc1oc2c([n+]1C)cc(cc2)OC)C=c1sc2c(n1CCCS(=O)(=O)[O-])cccc2	0.606	0.575	0.627	0.606	0.677	0.648	0.159	0.967	0.309	0.81	0.529
Compound_771	CC[n+]1c(C=CC=c2n(CC)c3c(n2CCCCS(=O)(=O)[O-])cc(cc3)C(F)(F)F)oc2c1cc(cc2)c1ccccc1	0.691	0.594	0.433	0.652	0.487	0.709	0.713	0.943	0.377	0.387	0.532
Compound_772	CC(=CCOC(OCC=C(CCC=C(C)C)C)(OCC=C(CCC=C(C)C)C)[SiH3])CCC=C(C)C	0.744	0.128	0.813	0.442	0.339	0.405	0.996	0.868	0.816	0.999	0.522
Compound_773	CCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)OC1OC(CO)C(C(C1O)O)O)O)O	0.36	0.25	0.032	0.603	0.126	0.186	0.748	0.242	0.291	0.811	0.025
Compound_774	CN(c1ccccc1)N=CC1=[N+](C)c2c(C1(C)C)cccc2	0.466	0.713	0.274	0.606	0.441	0.472	0.899	0.125	0.481	0.761	0.701
Compound_775	CN1C(=O)N(C)C(=O)C(=c2[nH]c3c4c2cccc4c(cc3)C(=O)c2ccccc2)C1=O	0.611	0.721	0.954	0.512	0.431	0.685	0.706	0.731	0.409	0.024	0.529
Compound_776	c1ccc(cc1)CN1c2ccccc2Sc2c1cccc2	0.388	0.587	0.788	0.614	0.957	0.227	0.779	0.284	0.204	0.927	0.418
Compound_777	N#Cc1cc(F)ccc1Br	0.997	0.138	0.87	0.692	0.244	0.646	0.997	0.849	0.786	0.996	0.848
Compound_778	O=C(OC(C)(C)C)NC(C1=CCC=CC1)C(=O)O	0.21	0.351	0.067	0.283	0.205	0.109	0.044	0.934	0.312	0.232	0.458
Compound_779	O=C(c1ccc(cc1)Cl)NC(C(=O)O)CCC(=O)O	0.017	0.209	0.191	0.178	0.094	0.167	0.065	0.033	0.334	0.032	0.032
Compound_780	NN=C(c1ccccc1)C	0.746	0.252	0.877	0.547	0.084	0.216	0.965	0.504	0.863	0.736	0.272
Compound_781	CCN(c1ccccc1)CC[n+]1ccccc1	0.367	0.642	0.761	0.61	0.082	0.574	0.029	0.981	0.4	0.061	0.5
Compound_782	COc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N(c1nc(Cl)nc(n1)Nc1cccc(c1)S(=O)(=O)O)C	0.777	0.448	1.0	0.576	0.744	0.684	0.912	0.872	0.493	0.698	0.514
Compound_783	ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl	0.272	0.534	0.98	0.463	0.979	0.835	0.288	0.723	0.715	0.248	0.756
Compound_784	O=C=NCCC[Si](Cl)(C)C	0.738	0.364	0.335	0.618	0.034	0.284	0.563	0.962	0.764	0.33	0.567
Compound_785	CCCCC(COC(=O)CCSCCC(=O)OCC(CCCC)CC)CC	0.578	-0.0	0.088	0.7	0.388	0.154	0.995	0.466	0.303	0.995	0.942
Compound_786	CCC1CCC(CC1)C(CC(O)C)(C)C	0.936	0.178	0.122	0.5	0.148	0.074	0.324	0.295	0.304	0.983	0.664
Compound_787	CC(CC(C1CCC(CC1)C(C)C)(C)C)O	0.936	0.178	0.076	0.511	0.148	0.074	0.324	0.206	0.284	0.868	0.379
Compound_788	CCCC(c1ccc(cc1)OCC)[NH+](CC)CC	0.061	0.276	0.341	0.481	0.019	0.615	0.005	0.781	0.37	0.69	0.258
Compound_789	C=CC1C(OC=C2C1=CCOC2=O)OC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.775	0.766	0.226	0.608	0.297	0.657	0.978	0.991	0.83	0.841	0.51
Compound_790	CCOC(=O)c1[nH]c2c(c1O)cccc2	0.563	0.534	0.968	0.543	0.658	0.624	0.7	0.114	0.383	0.039	0.888
Compound_791	CC(C(C(C)C)(C#N)C)C	0.942	0.109	0.327	0.559	0.375	0.06	0.398	0.755	0.695	0.915	0.812
Compound_792	CC1=NN(C(=O)C1N=Nc1ccc(cc1Cl)N(=O)=O)c1ccccc1	0.709	0.684	0.974	0.748	0.515	0.756	0.955	0.918	0.409	0.789	0.679
Compound_793	Cc1cc(ccc1N=Nc1ccccc1C)N=Nc1c(O)ccc2c1cccc2	0.893	0.874	0.972	0.723	0.952	0.84	0.809	0.987	0.596	0.991	0.909
Compound_794	CC1=NN(C(=O)C1N=Nc1ccc2c(c1S(=O)(=O)[O-])cccc2)c1c(C)cccc1Cl	0.52	0.624	0.978	0.596	0.718	0.682	0.978	0.973	0.407	0.7	0.262
Compound_795	O=CN1CCc2c(C1)cccc2OCC1OC1	0.066	0.587	0.499	0.597	0.127	0.365	0.227	0.958	0.721	0.417	0.16
Compound_796	CCCCCC#CCC=CCCCOC(OCC)C	0.627	0.166	0.287	0.632	0.305	0.881	1.0	0.985	0.575	1.0	0.755
Compound_797	OC(=O)C(c1ccc(cc1)O)C(=O)O	0.066	0.179	0.04	0.25	0.709	0.567	0.494	0.063	0.11	0.017	0.094
Compound_798	CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.14	0.149	0.993	0.27	0.756	0.995	0.825
Compound_799	CCN(c1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccccc1)Cc1cccc(c1)S(=O)(=O)[O-]	0.536	0.427	0.92	0.485	0.739	0.895	0.61	0.982	0.406	0.724	0.26
Compound_800	CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)Cl)Cl	0.776	0.56	0.658	0.697	0.748	0.678	0.836	0.801	0.406	0.98	0.508
Compound_801	CN1C=N[NH+](C1)c1cc2c(oc1=O)ccc1c2cccc1	0.272	0.657	0.751	0.453	0.243	0.809	0.951	0.666	0.306	0.002	0.278
Compound_802	OCC(C(C(C1SCC(N1)C(=O)O)O)O)O	0.068	0.374	0.008	0.276	0.287	0.023	0.006	0.031	0.124	0.049	0.165
Compound_803	CCOC(=O)C=Cc1ccc(cc1)C=CC(=O)OCC	0.97	0.19	0.92	0.827	0.344	0.7	0.998	0.934	0.707	0.99	0.709
Compound_804	Nc1c2c(cc(c1N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-]	0.664	0.499	0.882	0.5	0.745	0.707	0.724	0.968	0.402	0.182	0.306
Compound_805	CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.825	0.074	0.026	0.652	0.542	0.404	0.998	0.965	0.929	0.989	0.591
Compound_806	CC(=O)OCC1OC(C2C1OC(O2)(C)C)n1cnc2c1ncnc2N	0.681	0.625	0.395	0.524	0.279	0.425	0.037	0.827	0.384	0.177	0.78
Compound_807	CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCCCCCCCCCC	0.103	0.084	0.009	0.123	0.045	0.029	0.053	0.03	0.386	0.02	0.032
Compound_808	CCCCCCCCCCCC(=O)NC(C(=O)O)CO	0.047	0.114	0.006	0.183	0.058	0.029	0.001	0.038	0.252	0.018	0.071
Compound_809	CCCCCCCCCCC(S)C	0.921	0.064	0.059	0.562	0.212	0.261	0.998	0.525	0.975	0.999	0.493
Compound_810	C1CCC(=CC1)C1CCCCC21OCCO2	0.977	0.645	0.752	0.596	0.492	0.599	0.933	0.758	0.405	0.945	0.889
Compound_811	CCCCCCCC1=NC(CO1)(CC)CO	0.664	0.41	0.107	0.648	0.03	0.106	0.631	0.249	0.402	0.012	0.52
Compound_812	CC(CC(Nc1ccc(cc1)Nc1ccc(cc1)C)C)C	0.619	0.389	0.962	0.419	0.418	0.946	0.546	0.875	0.676	0.902	0.848
Compound_813	CCOC(=O)C1CCCCN1	0.02	0.145	0.052	0.374	0.021	0.003	0.002	0.015	0.18	0.078	0.017
Compound_814	CCCOC(=O)CC1CCCCC1	0.894	0.063	0.392	0.65	0.081	0.023	0.993	0.817	0.313	0.996	0.568
Compound_815	COc1ccc2c(c1)ccc(c2)Cl	0.911	0.742	0.964	0.687	0.727	0.621	0.907	0.379	0.712	0.991	0.985
Compound_816	CCc1c(Cl)cc(cc1N=Nc1c(O)ccc2c1cccc2)S(=O)(=O)[O-]	0.756	0.569	0.763	0.621	0.747	0.657	0.695	0.987	0.461	0.976	0.226
Compound_817	CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)C(C(=O)C(C)(C)C)n1cncc1C(=O)OC)S(=O)(=O)NC	0.442	0.682	0.013	0.385	0.355	0.643	0.286	0.489	0.373	0.932	0.234
Compound_818	OCC(C(=O)NC(C(=O)OC)Cc1c[nH]c2c1cccc2)N	0.332	0.502	0.54	0.333	0.243	0.585	0.044	0.693	0.19	0.027	0.556
Compound_819	O=C(c1ccccc1C(=O)O)c1ccc2c(c1)[nH]c(=O)o2	0.398	0.565	0.089	0.385	0.655	0.584	0.92	0.321	0.483	0.563	0.529
Compound_820	CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCN	0.162	0.406	0.067	0.461	0.014	0.4	0.04	0.015	0.864	0.131	0.136
Compound_821	CCC(C(C(=O)Oc1ccc(cc1)N(=O)=O)NC(=O)OC(C)(C)C)C	0.446	0.546	0.077	0.504	0.783	0.648	0.008	0.877	0.288	0.071	0.451
Compound_822	O=C=C(C1=C(O)C(C(=CC1=O)OC)(C)C)Cc1ccccc1	0.774	0.626	0.616	0.534	0.181	0.897	0.991	0.97	0.761	0.544	0.925
Compound_823	CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CC	0.952	0.67	0.327	0.606	0.905	0.884	1.0	0.988	1.0	1.0	0.918
Compound_824	CC1C=CCC1C	0.907	0.237	0.324	0.615	0.236	0.003	0.971	0.559	0.858	0.989	0.693
Compound_825	CC(c1ccc(cc1)Br)(C1CC1)O	0.606	0.355	0.595	0.632	0.244	0.587	0.784	0.318	0.433	0.891	0.723
Compound_826	CCCCCCCC[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	0.748	0.059	0.255	0.603	0.896	0.878	0.996	0.956	0.107	0.89	0.759
Compound_827	CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCO	0.253	0.153	0.023	0.317	0.073	0.472	0.045	0.259	0.334	0.212	0.069
Compound_828	OCC1OC(OC2C(C)OC(C(C2O)O)OC2CCC3(C(C2)(O)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)C(C(C1O)O)O	0.923	0.97	0.002	0.702	0.97	0.952	0.911	0.559	0.856	0.446	0.486
Compound_829	CCC=CCCC(O)(C)C	0.748	0.091	0.048	0.529	0.225	0.018	0.385	0.498	0.584	0.996	0.867
Compound_830	CCC=CCCC(O)C	0.749	0.035	0.058	0.527	0.221	0.033	0.631	0.634	0.207	0.994	0.754
Compound_831	CCCC[Sn]1(CCCC)SCC(=O)OCCOC(=O)CS1	0.72	0.386	0.147	0.648	0.944	0.949	0.993	0.963	0.824	0.961	0.606
Compound_832	CCN(c1ccc(cc1)N=Nc1ncc(s1)N(=O)=O)CC[n+]1ccccc1	0.402	0.582	0.95	0.714	0.362	0.706	0.045	0.835	0.764	0.105	0.507
Compound_833	CSCCC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N	0.357	0.505	0.013	0.323	0.533	0.54	0.047	0.012	0.381	0.043	0.077
Compound_834	COc1ccc(cc1C(=O)NCC1CCCN1C)S(=O)(=O)N	0.058	0.405	0.001	0.092	0.021	0.258	0.039	-0.0	0.106	0.001	0.081
Compound_835	Cc1ccc(c(c1)C(Cl)C)C	0.652	0.138	0.796	0.631	0.244	0.25	0.989	0.953	0.846	0.997	0.333
Compound_836	ClC(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.553	0.637	0.49	0.691	0.989	0.742	0.998	0.976	0.824	0.772	0.839
Compound_837	CN=C(NC#N)NCCS	0.028	0.153	0.844	0.311	0.07	0.13	0.0	0.432	0.435	0.027	0.165
Compound_838	CCCCCCCC(OP(=O)([O-])[O-])CC(C)C	0.99	0.121	0.467	0.608	0.095	0.035	0.996	0.783	0.578	0.996	0.794
Compound_839	CNCc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O	0.505	0.415	0.853	0.399	0.723	0.64	0.568	0.773	0.364	0.008	0.454
Compound_840	OCCN(C(=O)CC(=O)N(CCO)CCO)CCO	0.059	0.093	0.134	0.492	0.041	0.12	0.002	0.043	0.372	0.037	0.393
Compound_841	CCc1c(Cl)cc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)[O-])S(=O)(=O)[O-]	0.73	0.584	0.92	0.639	0.739	0.661	0.938	0.827	0.424	0.95	0.243
Compound_842	CCCCCCCCCCCCCCC=CS(=O)(=O)[O-]	0.969	0.11	0.347	0.464	0.36	0.165	1.0	0.98	0.718	1.0	0.253
Compound_843	CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCC(C)C	0.867	0.237	0.363	0.71	0.354	0.101	0.995	0.582	0.166	0.999	0.82
Compound_844	CC1=NN(C(=O)C1=Cc1c(C)[nH]n(c1=O)c1ccccc1)c1ccccc1	0.587	0.769	0.484	0.487	0.335	0.678	0.572	0.215	0.388	0.376	0.367
Compound_845	OCC(C(C(C(C1SCC(N1)C(=O)O)O)O)O)O	0.091	0.374	0.008	0.276	0.311	0.022	0.001	0.031	0.14	0.049	0.165
Compound_846	CCCCCCOC(=O)C=CCCC	0.972	0.009	0.235	0.74	0.679	0.34	0.998	0.992	0.868	1.0	0.942
Compound_847	Cc1c(Cl)cc(cc1N=Nc1c(O)ccc2c1cccc2)S(=O)(=O)[O-]	0.836	0.549	0.903	0.582	0.747	0.657	0.695	0.992	0.469	0.977	0.204
Compound_848	CCCCCCCCCCCCCC(NC(=O)Nc1cccc(c1C)NC(=O)NC(CCCCCCCCCCCCC)C)C	0.583	0.316	0.687	0.54	0.445	0.57	0.292	0.563	0.559	0.701	0.126
Compound_849	C=CC(=O)OCCOCCOCCOCCOCCOCC1CCCO1	0.976	0.26	0.058	0.755	0.949	0.937	1.0	0.996	0.931	0.999	0.845
Compound_850	CC1CCC2C(C1)C1CCC2C1(C)C	0.993	0.522	0.161	0.52	0.46	0.141	0.164	0.678	0.616	0.996	0.5
Compound_851	CCOC(=O)c1ccc(cc1)N=CCC(CCCC(O)(C)C)C	0.552	0.447	0.783	0.524	0.349	0.864	0.638	0.033	0.262	0.024	0.312
Compound_852	CCCCC1(C)OCCC(O1)C	0.876	0.273	0.172	0.52	0.06	0.075	0.989	0.918	0.657	0.962	0.729
Compound_853	COC(=O)CC1CC(C1(C)C)C(=O)C	0.796	0.115	0.229	0.478	0.313	0.557	0.838	0.951	0.36	0.746	0.751
Compound_854	COC1=CCC2=C(C1)CCC1C2CCC2(C1CCC2(O)C#N)C	0.923	0.95	0.007	0.537	0.979	0.845	0.03	0.908	0.48	0.323	0.589
Compound_855	CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOC(=O)C=CC(=O)O	0.574	0.199	0.001	0.33	0.47	0.777	0.266	0.903	0.42	0.273	0.078
Compound_856	O=C(c1ccccc1)Nc1cc(c2nnc(o2)c2cc(NC(=O)c3ccccc3)c3c(c2N)C(=O)c2c(C3=O)cccc2)c(c2c1C(=O)c1c(C2=O)cccc1)N	0.605	0.687	0.908	0.703	0.73	0.645	0.961	0.822	0.544	0.294	0.936
Compound_857	OC(=O)CCCCCN(S(=O)(=O)c1cccc(c1)N(=O)=O)C	0.584	0.363	0.189	0.303	0.159	0.459	0.02	0.222	0.313	0.01	0.364
Compound_858	ClCCC[Si](CCCCl)(Cl)Cl	0.922	0.412	0.588	0.638	0.589	0.431	0.993	0.564	0.076	0.999	0.756
Compound_859	CC(c1ccccc1)c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(c1ccccc1)C)Oc1ccc(cc1)C(c1ccccc1)C	0.821	0.594	0.917	0.626	0.983	0.667	0.984	0.479	0.409	0.97	0.718
Compound_860	CC(C=C1OC(=O)c2c1cccc2)C	0.7	0.265	0.917	0.695	0.085	0.095	0.992	0.769	0.538	0.99	0.465
Compound_861	O=C(C(C(=O)C)N=Nc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.539	0.606	0.996	0.683	0.445	0.739	0.746	0.317	0.504	0.462	0.796
Compound_862	CCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]	0.962	0.065	0.039	0.475	0.13	0.548	0.999	0.867	0.093	0.994	0.374
Compound_863	CCCCCCCCCC[SiH](C)C	0.997	0.167	0.763	0.557	0.129	0.274	0.996	0.882	1.0	0.997	0.841
Compound_864	N#CNN=Nc1cccc(c1)Cl	0.856	0.394	0.995	0.614	0.727	0.569	0.978	0.842	0.696	0.691	0.648
Compound_865	C=CC(=C)CC(C=C(C)C)O	0.751	0.13	0.291	0.679	0.24	0.06	0.063	0.98	0.372	0.712	0.906
Compound_866	CCOC(=O)C(=O)CC(=O)C(C)C	0.645	0.014	0.317	0.575	0.023	0.106	0.978	0.136	0.316	0.612	0.935
Compound_867	Clc1ccc(c(c1)Cl)ON=C(c1ccc(cc1Cl)Cl)Cn1cncc1	0.273	0.713	0.915	0.813	0.806	0.874	0.009	0.833	0.429	0.903	0.882
Compound_868	S=C=Nc1ccccc1Br	0.949	0.394	0.892	0.695	0.582	0.529	0.999	0.975	0.824	0.999	0.837
Compound_869	COc1cc2c(cc1OC)CCN(C2Cc1ccc(c(c1)OC)OC)CCC(=O)OCCCCCOC(=O)CCN1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC	0.275	0.822	0.117	0.35	0.684	0.898	0.373	0.064	0.076	0.331	0.648
Compound_870	OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1cc(ccc1S(=O)(=O)O)Nc1nc(Cl)nc(n1)Cl)O)N)N=Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O)S(=O)(=O)O	0.738	0.363	1.0	0.597	0.744	0.665	0.582	0.953	0.454	0.193	0.515
Compound_871	CCCCCCC(CC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC(CCCCCC)O)C)O	0.975	0.132	0.088	0.717	0.645	0.241	0.894	0.863	0.214	0.749	0.603
Compound_872	OC(=O)CC(C(=O)O)Cc1ccc(cc1)N(=O)=O	0.803	0.224	0.225	0.218	0.446	0.161	0.955	0.609	0.493	0.053	0.54
Compound_873	O=C(c1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cccc(c1C)Cl)Nc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cccc(c1C)Cl	0.9	0.748	0.996	0.781	0.928	0.836	0.949	0.989	0.458	0.979	0.774
Compound_874	CCCCC(=O)OC(C1CCC(=CC1)C)(C)C	0.857	0.186	0.563	0.592	0.24	0.016	0.506	0.723	0.37	1.0	0.86
Compound_875	CSCCC(C(=O)NCC(=O)O)N	0.001	0.101	0.011	0.283	0.111	0.005	0.0	0.015	0.136	0.002	0.069
Compound_876	CC(Cc1cc(CC(C)C)cc(c1)O)C	0.758	0.14	0.549	0.581	0.323	0.11	0.548	0.92	0.655	0.706	0.098
Compound_877	COC(=O)C=Cc1c[nH]cn1	0.531	0.366	0.663	0.512	0.263	0.764	0.0	0.967	0.855	0.187	0.826
Compound_878	CCOC(=O)C1(CCCN(C1)C)c1ccccc1	0.047	0.484	0.041	0.163	0.009	0.029	0.0	0.023	0.119	0.009	0.197
Compound_879	Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1F	0.853	0.766	0.91	0.766	0.648	0.874	0.572	0.394	0.629	0.83	0.524
Compound_880	CCCCCCCCCCCCOC(=O)CC(=O)C	0.885	0.027	0.243	0.711	0.225	0.143	0.999	0.842	0.57	0.948	0.908
Compound_881	CC(OC(=O)CC#N)CC	0.853	0.062	0.109	0.541	0.183	0.033	0.963	0.817	0.537	0.57	0.855
Compound_882	CCCCCCCCC=CCCCCCCCCOP(=O)(OCCCCCCCCC=CCCCCCCCC)O	0.973	0.112	0.05	0.449	0.569	0.117	0.994	0.392	0.714	0.963	0.473
Compound_883	C1=CC=C2C(=Cc3c2cc2c(c3)cccc2)C1	0.659	0.713	0.948	0.693	0.491	0.411	0.984	0.986	0.971	0.998	0.967
Compound_884	CC(CN(CCN(CC(O)C)CC(O)C)CCN(CC(O)C)CC(O)C)O	0.016	0.031	0.065	0.108	0.055	0.087	0.033	0.131	0.206	0.174	0.177
Compound_885	ON=CC(=O)Nc1ccc(cc1)Cl	0.669	0.58	0.992	0.754	0.32	0.631	0.383	0.832	0.523	0.957	0.826
Compound_886	Fc1ccc(cc1)CCCC(=O)c1ccc(cc1)F	0.917	0.523	0.45	0.582	0.35	0.695	0.976	0.794	0.23	0.967	0.724
Compound_887	C=CC(=O)OCCCCC(COC(=O)C=C)O	0.924	0.232	0.067	0.723	0.918	0.801	0.522	0.996	0.762	0.959	0.576
Compound_888	CCC#CC(C(C(=O)OCC)C#N)C	0.889	0.192	0.349	0.634	0.314	0.631	0.959	0.884	0.458	0.188	0.807
Compound_889	CCCCCCCCCCCC(=O)N(=O)CCCN(C)C	0.857	0.174	0.349	0.634	0.024	0.681	0.903	0.884	0.611	0.624	0.657
Compound_890	CC(CCC(C(=O)C)C)CCC=C(C)C	0.992	0.05	0.467	0.585	0.104	0.006	0.889	0.924	0.401	1.0	0.954
Compound_891	CCOC(=O)C(=O)C(C(=O)CC)C	0.655	0.006	0.517	0.575	0.019	0.116	0.978	0.16	0.191	0.138	0.921
Compound_892	CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1	0.214	0.433	0.022	0.39	0.033	0.154	0.183	0.532	0.357	0.192	0.208
Compound_893	COc1cc(OC)cc(c1)C(=O)Cl	0.717	0.163	0.866	0.771	0.43	0.225	0.653	0.196	0.857	0.384	0.551
Compound_894	CC(=O)C1CCc2c(C1=O)cccc2	0.852	0.582	0.383	0.463	0.133	0.787	0.197	0.212	0.564	0.415	0.932
Compound_895	[O-]CCN(C)C	0.154	0.118	0.006	0.141	0.01	0.006	0.009	0.222	0.19	0.03	0.428
Compound_896	C=CCOC(=O)c1c(C(=O)O)c(C(=O)OCC=C)c(c(c1C(=O)O)C(=O)OCC=C)C(=O)O	0.659	0.213	0.8	0.43	0.304	0.32	0.926	0.919	0.55	0.89	0.756
Compound_897	C=CC(C1CCC=CC1C=O)C(C)C	0.964	0.171	0.298	0.58	0.192	0.147	0.879	0.943	0.638	0.995	0.49
Compound_898	CCCC(C(COC(=O)C(=C)C)CC)OC(=O)C(=C)C	0.984	0.087	0.011	0.665	0.412	0.052	0.996	0.621	0.739	0.999	0.975
Compound_899	OCC(C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C	0.987	0.99	0.018	0.733	0.88	0.963	0.044	0.072	0.044	0.818	0.136
Compound_900	CCC(C1OCCO1)C	0.812	0.132	0.159	0.485	0.036	0.072	0.995	0.711	0.356	0.994	0.714
Compound_901	O=P(OCc1ccccc1)OCc1ccccc1	0.732	0.483	0.765	0.559	0.18	0.059	0.999	0.667	0.802	0.997	0.409
Compound_902	O=C(Oc1cc(Cl)c(cc1Cl)Cl)OC(C)(C)C	0.76	0.247	0.301	0.748	0.581	0.487	0.682	0.986	0.566	0.984	0.244
Compound_903	OC(=O)C(NSc1ccccc1N(=O)=O)COC(C)(C)C	0.348	0.41	0.026	0.381	0.642	0.339	0.004	0.623	0.273	0.054	0.626
Compound_904	OCC(N(=O)=O)(N(=O)=O)F	0.415	0.111	0.056	0.597	0.058	0.088	0.052	0.973	0.561	0.009	0.651
Compound_905	FC(N(=O)=O)(N(=O)=O)COCOCC(N(=O)=O)(N(=O)=O)F	0.377	0.152	0.388	0.608	0.128	0.119	0.033	0.993	0.742	0.613	0.668
Compound_906	CCCCC1CCC(CC1)c1ccc(cc1)C#N	0.968	0.313	0.145	0.517	0.753	0.157	0.754	0.663	0.833	0.986	0.882
Compound_907	CCCO[Si](OCCC)(OCCC)CCCCl	0.885	0.176	0.354	0.701	0.353	0.174	1.0	0.985	0.077	0.992	0.831
Compound_908	C=CCNc1cccc(c1)C(F)(F)F	0.533	0.353	0.927	0.597	0.189	0.085	0.698	0.588	0.2	0.22	0.681
Compound_909	C=CCN(C(=O)C(Cl)Cl)c1cccc(c1)C(F)(F)F	0.796	0.531	0.793	0.564	0.944	0.228	0.98	0.912	0.403	0.99	0.891
Compound_910	CCC1(CC)NC(=O)C2(O1)CC(C)(C)NC(C2)(C)C	0.063	0.495	0.008	0.337	0.008	0.118	0.007	0.007	0.303	0.907	0.235
Compound_911	CCCCCCCCC1CC(C(=O)O1)Cl	0.942	0.421	0.113	0.678	0.295	0.144	0.999	0.994	0.611	0.999	0.759
Compound_912	CCCCCCCCCCCCCCCCCCc1cc(O)c(cc1O)C(CS(=O)(=O)[O-])(C)C	0.686	0.476	0.497	0.457	0.357	0.738	0.084	0.929	0.451	0.975	0.254
Compound_913	CCN([Si](N(CC)CC)(N(CC)CC)N(CC)CC)CC	0.222	0.143	0.492	0.5	0.052	0.186	0.62	0.248	0.792	0.971	0.376
Compound_914	CN(C=C(C(=O)c1ccccc1)c1ccccc1)C	0.541	0.615	0.044	0.253	0.076	0.719	0.018	0.745	0.467	0.752	0.752
Compound_915	OCc1ccc(cc1F)F	0.71	0.078	0.714	0.68	0.049	0.029	0.965	0.668	0.58	0.9	0.526
Compound_916	CC(NC(=O)C1(CCCC1C)C(C)C)C	0.193	0.251	0.22	0.376	0.026	0.207	0.001	0.149	0.24	0.045	0.159
Compound_917	CCNC(=O)C1(CCCC1C)C(C)C	0.193	0.341	0.157	0.333	0.024	0.138	0.001	0.14	0.343	0.519	0.211
Compound_918	CCOC(=O)CNC(=O)C1(CCCCCC1)C(C)C	0.165	0.147	0.321	0.358	0.235	0.02	0.003	0.225	0.371	0.037	0.176
Compound_919	CCNC(=O)C1(CCCCCC1)C(CC)C	0.244	0.132	0.065	0.257	0.097	0.044	0.002	0.114	0.412	0.6	0.21
Compound_920	CNC(=O)C1(CCCCCC1C)C(C)C	0.337	0.147	0.181	0.357	0.123	0.026	0.006	0.383	0.421	0.066	0.139
Compound_921	Brc1c(Br)c(Br)c2c(c1Br)ccc(c2Br)Br	0.989	0.434	0.99	0.615	0.606	0.306	0.995	0.956	0.92	1.0	0.953
Compound_922	CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)OC1OC(CO)C(C(C1O)O)O)O)O	0.36	0.25	0.032	0.603	0.126	0.186	0.748	0.242	0.291	0.811	0.025
Compound_923	O=C(NC(C(=O)NC(C(=O)NC(C(=O)Nc1ccc(cc1)N(=O)=O)C(C)C)C)C)CCC(=O)O	0.24	0.231	0.203	0.396	0.228	0.406	0.001	0.449	0.393	0.312	0.147
Compound_924	COc1ccc(cc1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(cc1OC)OC	0.818	0.847	0.993	0.804	0.945	0.889	0.968	0.937	0.511	0.974	0.778
Compound_925	COc1ccc(c(c1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccccc1CC)OC	0.749	0.847	0.801	0.818	0.938	0.719	0.982	0.823	0.453	0.99	0.759
Compound_926	Oc1c(Cl)cc(cc1Cl)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Cl)c(c(c1)Cl)O	0.558	0.572	0.557	0.623	0.692	0.62	0.516	0.878	0.694	0.987	0.429
Compound_927	CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1C)N=Nc1ccc(cc1)O	0.86	0.782	0.975	0.498	0.922	0.953	0.499	0.198	0.868	0.792	0.483
Compound_928	CCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCO	0.458	0.568	0.101	0.565	0.3	0.619	0.914	0.523	0.424	0.322	0.255
Compound_929	C=CCC(C=CCC)(C=O)CC	0.682	0.089	0.195	0.644	0.246	0.202	0.973	0.973	0.39	1.0	0.949
Compound_930	CCCCCCCCCCCCCCCCCC(=O)NCCCO	0.104	0.093	0.013	0.272	0.017	0.362	0.03	0.041	0.367	0.044	0.13
Compound_931	SCCC(=O)OCC(C(=O)O)(COC(=O)CCS)C	0.257	0.091	0.03	0.358	0.371	0.274	0.793	0.259	0.383	0.589	0.449
Compound_932	COC(=O)CC(C(=O)OC)C=O	0.696	0.008	0.223	0.507	0.085	0.276	0.963	0.986	0.652	0.049	0.811
Compound_933	CCCCCCCC(=O)OC1C(OC(C(C1O)O)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCC)O)CO	0.596	0.572	0.017	0.562	0.128	0.251	0.859	0.176	0.301	0.609	0.532
Compound_934	COCC[Si](Cl)(Cl)C	0.855	0.319	0.61	0.662	0.042	0.251	0.988	0.959	0.714	0.735	0.734
Compound_935	CCO[Si](OCC)(OCC)CCCN1C=NCC1	0.197	0.511	0.43	0.524	0.009	0.21	0.001	0.548	0.082	0.15	0.359
Compound_936	OCCON(=O)=O	0.575	0.057	0.041	0.467	0.06	0.169	0.066	0.914	0.186	0.323	0.235
Compound_937	CCO[Si](OCC)(OCC)CC[Si](OCC)(OCC)OCC	0.788	0.073	0.561	0.518	0.061	0.15	0.938	0.605	0.437	0.996	0.727
Compound_938	O=C(C(=C)C)NCCCCCCNC(=O)C(=C)C	0.167	0.197	0.081	0.322	0.027	0.013	0.0	0.725	0.643	0.086	0.675
Compound_939	CCN1C(=S)SC(=c2sc(=S)n(n2C)c2cccc(c2)S(=O)(=O)[O-])C1=O	0.469	0.363	0.038	0.431	0.526	0.672	0.56	0.839	0.414	0.059	0.38
Compound_940	CCOC(=O)Nc1ccc(nc1N)NC(c1ccccc1)Cc1ccccc1	0.154	0.595	0.915	0.472	0.614	0.941	0.418	0.064	0.125	0.023	0.448
Compound_941	CO[Si](CCCNCCNCc1ccc(cc1)C=C)(OC)OC	0.103	0.389	0.029	0.41	0.006	0.308	0.012	0.272	0.18	0.006	0.287
Compound_942	OCC1OC(O)C(C(C1OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O)O)O	0.514	0.375	0.006	0.511	0.704	0.78	0.066	0.086	0.524	0.55	0.091
Compound_943	OCC#CCOCC(CS(=O)(=O)[O-])O	0.287	0.168	0.054	0.383	0.063	0.634	0.211	0.194	0.386	0.606	0.428
Compound_944	CC=CCCC(=O)O	0.346	0.03	0.194	0.115	0.207	0.002	0.99	0.114	0.283	0.265	0.162
Compound_945	Cc1ccccc1[Si](Cl)(C)C	0.848	0.33	0.759	0.676	0.059	0.428	0.996	0.939	0.819	0.991	0.472
Compound_946	OCc1cocc1CO	0.422	0.211	0.221	0.449	0.036	0.096	0.749	0.054	0.693	0.579	0.749
Compound_947	CCC12CCC3=C(C2=CCC1O)CCc1c3ccc(c1)OC	0.869	0.93	0.375	0.664	0.932	0.891	0.011	0.99	0.356	0.989	0.985
Compound_948	CCCCCCCCC=CCCCCCCCC(=O)NCCCCC(C(=O)O)N(C)C	0.384	0.132	0.002	0.142	0.111	0.061	0.111	0.393	0.378	0.026	0.143
Compound_949	CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCCCN(C)C	0.075	0.104	0.0	0.139	0.036	0.027	0.142	0.018	0.245	0.014	0.136
Compound_950	OCCN1CCOC1(C)CC	0.017	0.424	0.111	0.13	0.059	0.066	0.007	0.052	0.166	0.009	0.233
Compound_951	CCCCCCCCC=CCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.878	0.074	0.302	0.751	0.868	0.295	0.999	0.993	0.537	1.0	0.961
Compound_952	CS(=O)(=O)c1ccc(cc1)OCC1OC1	0.183	0.555	0.611	0.68	0.254	0.408	0.488	0.918	0.38	0.898	0.204
Compound_953	CCCC[Sn]1(SCCC(=O)O[Sn]2(CCCC)SCCC(=O)O2)SCCC(=O)O1	0.527	0.562	0.207	0.599	0.924	0.904	0.988	0.955	0.412	0.88	0.709
Compound_954	CC(=O)c1ccc(cc1)S(=O)(=O)[O-]	0.825	0.361	0.584	0.374	0.513	0.194	0.951	0.834	0.352	0.956	0.075
Compound_955	Oc1ccc(cc1N=Nc1ccccc1)C(c1ccccc1)(C)C	0.973	0.741	0.934	0.719	0.972	0.94	0.948	0.903	0.675	0.535	0.855
Compound_956	CC(CC(CCOC(=O)C)(C)C)C	0.843	0.025	0.599	0.544	0.17	0.067	0.971	0.487	0.703	0.735	0.691
Compound_957	C=CCCC=CCCC=C	0.785	0.108	0.313	0.632	0.351	0.02	0.987	0.96	0.423	1.0	0.875
Compound_958	CC1CC(C)(C)C=CC1=O	0.972	0.223	0.444	0.602	0.279	0.156	0.657	0.486	0.639	0.999	0.346
Compound_959	C1CCC2PC(C1)CC2	0.94	0.218	0.299	0.46	0.916	0.76	0.996	0.771	0.636	0.996	0.312
Compound_960	CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O	0.956	0.174	0.077	0.535	0.613	0.125	0.992	0.51	0.189	0.985	0.3
Compound_961	C[Si](C1SCCCS1)(C)C	0.516	0.368	0.201	0.501	0.418	0.475	0.986	0.725	0.685	0.947	0.209
Compound_962	COCCn1c(=CC(=Cc2oc3c([n+]2CCOC)cc(cc3)c2ccccc2)CC)oc2c1cc(cc2)c1ccccc1	0.603	0.779	0.892	0.686	0.759	0.658	0.995	0.983	0.642	0.639	0.865
Compound_963	O(CC1OC1)CC=CCOCC1OC1	0.957	0.229	0.416	0.611	0.964	0.209	0.991	0.953	0.94	0.996	0.971
Compound_964	CCC(CC(CC)N)C	0.188	0.051	0.235	0.319	0.018	0.063	0.002	0.006	0.768	0.906	0.135
Compound_965	CCCCCCCCC(C(=O)OCC(COC(=O)C(CCCCCCCC)CCCCCC)(COC(=O)C(CCCCCCCC)CCCCCC)COC(=O)C(CCCCCCCC)CCCCCC)CCCCCC	0.934	0.013	0.206	0.679	0.205	0.156	0.993	0.787	0.401	0.961	0.905
Compound_966	SCCOC(=O)CCC(=O)OCCS	0.655	0.065	0.099	0.666	0.273	0.392	0.986	0.522	0.71	0.961	0.899
Compound_967	O=C([n+]1ccccc1)C1OCCNC1	0.199	0.38	0.022	0.387	0.005	0.212	0.004	0.177	0.198	0.014	0.085
Compound_968	Cc1cc(C)c2c(c1)cccc2C	0.903	0.55	0.98	0.631	0.109	0.095	0.968	0.996	0.974	0.999	0.909
Compound_969	C=CC1(O)CC2CC1C1C2CCC1	0.967	0.491	0.105	0.537	0.844	0.779	0.417	0.941	0.429	0.959	0.5
Compound_970	CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2c(cc1S(=O)(=O)[O-])cc(cc2NS(=O)(=O)c1ccccc1)S(=O)(=O)[O-]	0.551	0.481	0.717	0.348	0.707	0.763	0.943	0.936	0.425	0.505	0.272
Compound_971	CCC(c1cccc(c1)C(F)(F)F)(c1ccccc1)O	0.484	0.518	0.753	0.675	0.599	0.458	0.218	0.613	0.236	0.889	0.85
Compound_972	CCC(c1cc(C)ccc1C)(c1ccccc1)O	0.34	0.512	0.67	0.542	0.34	0.524	0.182	0.076	0.562	0.992	0.928
Compound_973	CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)OC1OC(CO)C(C(C1O)O)O)O)O	0.36	0.25	0.032	0.603	0.126	0.186	0.748	0.242	0.291	0.811	0.025
Compound_974	OCc1c(F)cccc1Cl	0.844	0.083	0.714	0.638	0.243	0.075	0.937	0.826	0.58	0.933	0.72
Compound_975	OCC(=O)C1(Br)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F	0.951	1.0	0.17	0.962	0.864	0.805	0.036	0.023	0.113	0.447	0.175
Compound_976	CCCCCCCCC=CCCCCCCCCNCCCNCCCNCCCN	0.478	0.091	0.018	0.463	0.114	0.33	0.202	0.076	0.691	0.81	0.226
Compound_977	O=CN(c1ccccn1)C	0.333	0.261	0.328	0.466	0.02	0.27	0.006	0.865	0.829	0.16	0.044
Compound_978	COCC(CN(c1ccc(cc1)N=Nc1sc2c([n+]1C)ccc(c2)OC)CC)OC	0.797	0.78	0.992	0.687	0.472	0.834	0.02	0.481	0.627	0.851	0.645
Compound_979	Cc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccc(cc1C)Cl)C(=O)C	0.704	0.626	0.996	0.747	0.747	0.568	0.391	0.941	0.444	0.999	0.743
Compound_980	N#CCCOCC=C(CCC=C(C)C)C	0.881	0.159	0.434	0.48	0.474	0.132	0.887	0.831	0.67	0.749	0.942
Compound_981	CCCCc1ccccc1C(=O)[O-]	0.527	0.205	0.33	0.379	0.054	0.018	0.991	0.261	0.823	0.81	0.551
Compound_982	CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)Cl)C	0.974	0.435	0.985	0.688	0.354	0.64	0.974	0.594	0.592	0.956	0.57
Compound_983	COCC(=Cc1cc(OC)c(c(c1)OC)Br)C#N	0.845	0.604	0.683	0.723	0.526	0.645	0.857	0.706	0.538	0.74	0.911
Compound_984	ClCCC1CCCN1C	0.759	0.454	0.006	0.124	0.105	0.446	0.258	0.638	0.61	0.216	0.801
Compound_985	CCCC[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCC	0.918	0.062	0.159	0.773	0.996	0.994	1.0	0.995	0.972	0.999	0.736
Compound_986	CCCCC=CCO	0.725	0.092	0.088	0.561	0.192	0.042	0.916	0.647	0.739	0.93	0.776
Compound_987	CCCCCCCCOP(=O)[O-]	0.973	0.104	0.27	0.776	0.101	0.048	0.999	0.79	0.833	0.997	0.495
Compound_988	OC(=O)C(NC(=O)c1ccccc1)Cc1ccc(c(c1)O)O	0.266	0.556	0.054	0.227	0.247	0.214	0.542	0.19	0.204	0.219	0.009
Compound_989	CCC(=O)C(C(C(CC(C1OC(=O)CC2(O)CC=C(C(O2)C(=CCCCC(C=CC(CC1C)C)OC1OC(C)C(C(C1)OC(=O)N)O)C)C)C)C)O)C	0.722	0.789	0.004	0.465	0.655	0.678	0.617	0.643	0.124	0.611	0.667
Compound_990	CCCCC(Nc1cc(ccc1OC)NC(=O)C)C	0.3	0.438	0.808	0.494	0.084	0.17	0.001	0.093	0.746	0.037	0.064
Compound_991	CC(C1CCCCCC1C(=O)NC(C)(C)C)C	0.316	0.157	0.103	0.283	0.071	0.05	0.033	0.104	0.293	0.289	0.162
Compound_992	CCOC(=O)CNC(=O)C1CCCCCC1C(C)C	0.103	0.272	0.203	0.308	0.179	0.011	0.004	0.205	0.355	0.083	0.139
Compound_993	CCNC(=O)C1(CCCCCC1C)C(C)C	0.244	0.173	0.157	0.333	0.097	0.044	0.002	0.14	0.389	0.587	0.17
Compound_994	CCOC(=O)CNC(=O)C1(CCCCCC1C)C(C)C	0.165	0.276	0.321	0.35	0.266	0.029	0.036	0.275	0.372	0.047	0.134
Compound_995	C[Si](I)(C)C	0.899	0.321	0.428	0.624	0.299	0.259	0.898	0.952	0.765	0.996	0.46
Compound_996	C=C[Si](O[Si](C=C)(C=C)C)(C=C)C	0.821	0.117	0.156	0.661	0.169	0.369	0.953	0.994	0.873	0.998	0.639
Compound_997	OC(=O)C(C(C(F)(F)F)C(F)(F)F)N	0.027	0.066	0.009	0.375	0.223	0.008	0.06	0.471	0.057	0.003	0.641
Compound_998	NCCC[Si](O)(O)O	0.147	0.04	0.031	0.286	0.039	0.121	0.001	0.005	0.274	0.001	0.087
Compound_999	COC(C(c1ccccc1)O)c1ccccc1	0.063	0.543	0.091	0.273	0.358	0.58	0.112	0.127	0.084	0.285	0.819
Compound_1000	CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)C(C(=O)C(C)(C)C)Cl)S(=O)(=O)NC	0.58	0.636	0.016	0.356	0.587	0.614	0.122	0.755	0.385	0.921	0.357