Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.081	0.024	0.999	0.777	0.146	0.998	0.915
Compound_2	OCCCCCCO	0.79	0.166	0.115	0.517	0.044	0.09	0.94	0.319	0.078	0.333	0.612
Compound_3	OCC(CO)O	0.569	0.113	0.051	0.388	0.09	0.098	0.212	0.035	0.092	0.118	0.114
Compound_4	CCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_5	O=[Ce]=O	0.903	0.183	0.428	0.503	0.648	0.055	0.74	0.98	0.948	0.999	0.904
Compound_6	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_7	CC(CCCCCCC(=O)[O-])C	0.952	0.016	0.452	0.323	0.058	0.002	0.98	0.341	0.011	0.985	0.829
Compound_8	O=[Si]1O[Al](O[Ca]O[Al]2O[Si](=O)O[Si](=O)O2)O[Si](=O)O1	0.652	0.412	0.32	0.502	0.667	0.622	0.368	0.951	0.953	0.779	0.717
Compound_9	Clc1cccc(c1)N1N=C([C-](C1=O)N=Nc1cc(ccc1[O-])S(=O)(=O)C)C	0.426	0.569	0.1	0.453	0.5	0.646	0.093	0.496	0.408	0.799	0.379
Compound_10	O[Cr](O)O	0.869	0.109	0.135	0.482	0.673	0.061	0.456	0.366	0.901	0.837	0.828
Compound_11	[NH3-3]	0.916	0.17	0.135	0.482	0.628	0.05	0.457	0.366	0.966	0.999	0.896
Compound_12	[O-]C(=O)C=CC(=O)[O-]	0.894	0.065	0.129	0.298	0.337	0.054	0.996	0.891	0.927	0.989	0.979
Compound_13	[O-]S(=O)(=O)[O-]	0.889	0.122	0.395	0.359	0.537	0.09	0.561	0.841	0.583	0.997	0.226
Compound_14	[O-]S(=O)(=O)[O-]	0.889	0.122	0.395	0.359	0.537	0.09	0.561	0.841	0.583	0.997	0.226
Compound_15	[SiH4]	0.954	0.116	0.433	0.496	0.644	0.101	0.686	0.897	0.972	1.0	0.839
Compound_16	CCCCC(C(=O)O)CC	0.563	0.01	0.072	0.2	0.063	0.005	0.838	0.226	0.038	0.854	0.358
Compound_17	CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O	0.976	0.051	0.025	0.338	0.403	0.075	0.97	0.899	0.074	0.976	0.366
Compound_18	CCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_19	CC(=O)[C-](C(=O)Nc1ccccc1)N=Nc1cc(ccc1[O-])N(=O)=O	0.641	0.712	0.982	0.601	0.445	0.64	0.379	0.701	0.511	0.979	0.815
Compound_20	[O-]c1ccc(cc1N=Nc1c([O-])ccc2c1cccc2)S(=O)(=O)N	0.638	0.388	0.163	0.245	0.525	0.654	0.482	0.084	0.511	0.259	0.353
Compound_21	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_22	[O-]c1ccccc1N=Cc1c([O-])ccc2c1cccc2	0.55	0.797	0.963	0.516	0.85	0.845	0.934	0.918	0.572	0.999	0.998
Compound_23	OS(=O)(=O)c1ccc2c(c1)C1=NC3=NC(=Nc4[n-]c([N-]C5=NC(=NC2=N1)c1cc(ccc51)S(#N)(O)O)c1c4ccc(c1)S(#[NH+])(O)O)c1c3ccc(c1)S(=O)(=N)O	0.496	0.359	0.955	0.539	0.733	0.653	0.149	0.653	0.422	0.204	0.384
Compound_24	OS(=O)(=O)NC1CCCCC1	0.141	0.176	0.105	0.241	0.087	0.34	0.002	0.481	0.241	0.047	0.402
Compound_25	CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)O)O)O)O)O)O)O)O	0.971	0.161	0.07	0.747	0.917	0.604	0.875	0.833	0.24	0.98	0.71
Compound_26	OC(=O)CCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_27	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_28	CCCCCOC(=O)/C=C/C(=O)OCCCCC	0.954	0.089	0.234	0.807	0.733	0.371	0.997	0.994	0.83	0.999	0.93
Compound_29	O=[Ce]O[Ce]=O	0.887	0.19	0.502	0.508	0.648	0.055	0.74	0.964	0.953	0.994	0.903
Compound_30	Cl[Mn]Cl	0.95	0.167	0.518	0.607	0.73	0.061	0.892	0.983	0.978	1.0	0.635
Compound_31	C=CC(=O)OCCCCCCCCCOC(=O)C=C	1.0	0.151	0.239	0.768	0.854	0.801	0.998	0.999	0.929	1.0	0.968
Compound_32	CCCCCCCCC=CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.982	0.078	0.461	0.741	0.509	0.148	0.998	0.969	0.39	1.0	0.943
Compound_33	CC[N+](CCOC(=O)C=C)(C)C	0.18	0.274	0.104	0.761	0.646	0.103	0.097	0.931	0.462	0.03	0.279
Compound_34	CCCCCCCCCCCCCCCCN(C(=O)Cl)CCCCCCCCCCCCCCCC	0.934	0.123	0.272	0.702	0.109	0.632	0.994	0.997	0.878	0.998	0.888
Compound_35	[O-]P(=O)(O)O	0.883	0.151	0.054	0.355	0.61	0.088	0.131	0.026	0.835	0.636	0.546
Compound_36	C1CC=CCCC=C1	0.783	0.14	0.313	0.606	0.283	0.017	0.998	0.829	0.929	0.999	0.567
Compound_37	[Li]O[Li]	0.901	0.194	0.407	0.502	0.605	0.05	0.686	0.755	0.953	1.0	0.894
Compound_38	[O-]P(=O)(O)O	0.883	0.151	0.054	0.355	0.61	0.088	0.131	0.026	0.835	0.636	0.546
Compound_39	ClC(C=Cc1cnc2c(n1)cccc2)(Cl)Cl	0.458	0.736	0.929	0.686	0.312	0.246	0.234	0.806	0.214	0.905	0.985
Compound_40	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.204	0.406	0.002	0.264	0.012	0.246	0.387	0.714	0.4	0.197	0.452
Compound_41	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.939	0.011	0.221	0.719	0.184	0.229	0.995	0.738	0.206	0.943	0.921
Compound_42	[O-]P(=O)(OP(=O)([O-])[O-])[O-]	0.889	0.221	0.615	0.538	0.588	0.328	0.442	0.982	0.902	0.936	0.828
Compound_43	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_44	[O-][Ti](=O)[O-]	0.899	0.131	0.446	0.569	0.648	0.055	0.74	0.988	0.914	0.999	0.864
Compound_45	CC(COC(=O)C(=C)C)OCC(OC(=O)C(=C)C)C	0.976	0.107	0.194	0.652	0.571	0.083	0.985	0.523	0.895	0.999	0.943
Compound_46	OCCNc1nc(Nc2ccc(c(c2)C)N=Nc2cc3c(c(c2)S(=O)(=O)O)cccc3S(=O)(=O)O)nc(n1)Nc1ccc(c(c1)C)N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O	0.772	0.542	0.989	0.393	0.775	0.683	0.744	0.654	0.449	0.014	0.594
Compound_47	O=C(C=CC(=O)[O-])OCCS(=O)(=O)[O-]	0.8	0.099	0.386	0.504	0.261	0.389	0.993	0.99	0.457	0.993	0.291
Compound_48	[O-]P(=O)(O)[O-]	0.883	0.149	0.06	0.363	0.61	0.088	0.131	0.026	0.835	0.837	0.632
Compound_49	OS(=O)(=O)C1=CC2=C3[N-]C(=NC4=NC(c5c4cccc5)N=c4[n-]c(=NC5=NC(=N3)c3ccc(cc53)S(=O)(=O)O)c3c4cccc3)C2C=C1	0.693	0.639	0.978	0.405	0.74	0.654	0.814	0.777	0.392	0.171	0.444
Compound_50	[O-]C(=O)C(NC)C	0.026	0.051	0.036	0.239	0.035	-0.001	0.0	0.059	0.09	0.134	0.536
Compound_51	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCCCCC	0.127	0.065	0.043	0.293	0.025	0.171	0.131	0.099	0.35	0.153	0.235
Compound_52	CCCCCCCCCCCCc1ccccc1	0.9	0.12	0.443	0.557	0.124	0.149	0.999	0.926	0.972	1.0	0.528
Compound_53	CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.826	0.322	0.255	0.415	0.415	0.36	0.993	0.941	0.473	0.995	0.122
Compound_54	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.717	0.298	0.227	0.273	0.65	0.454	0.989	0.104	0.469	0.935	0.093
Compound_55	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.717	0.298	0.227	0.273	0.65	0.454	0.989	0.104	0.469	0.935	0.093
Compound_56	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_57	OCC(CO)O	0.569	0.113	0.051	0.388	0.09	0.098	0.212	0.035	0.092	0.118	0.114
Compound_58	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_59	C=CC(=O)OCCOCCOc1ccccc1	0.646	0.277	0.865	0.778	0.613	0.215	0.959	0.973	0.977	0.998	0.427
Compound_60	CCCCOC(=O)C=C	0.981	0.017	0.216	0.804	0.595	0.287	1.0	0.998	0.899	0.985	0.884
Compound_61	CC[O]=[Ti+2]12(=[O]C(C)C)([O]=C(C)[CH-]C(=[O]1)C)[O]=C(C)[CH-]C(=[O]2)C	0.713	0.594	0.216	0.804	0.055	0.614	0.984	0.998	0.511	0.228	0.859
Compound_62	CCOC(=O)CC[Si](OCC)(OCC)OCC	0.95	0.045	0.48	0.629	0.123	0.106	0.98	0.713	0.121	0.995	0.632
Compound_63	NCCN	0.169	0.073	0.058	0.379	0.019	0.008	0.0	0.004	0.38	0.108	0.402
Compound_64	CCOC(=O)C=CC(=O)O	0.924	0.055	0.227	0.478	0.723	0.347	0.97	0.98	0.731	0.769	0.906
Compound_65	CCCCCCCCCCCCc1ccccc1S(=O)(=O)O	0.717	0.298	0.227	0.273	0.65	0.454	0.989	0.104	0.469	0.935	0.093
Compound_66	O=C(c1ccccc1)/C=C(/C(F)(F)F)\O	0.8	0.331	0.713	0.756	0.233	0.593	0.986	0.765	0.359	0.871	0.859
Compound_67	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_68	O=[Eu]	0.912	0.195	0.407	0.494	0.605	0.049	0.686	0.904	0.948	1.0	0.891
Compound_69	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.628	0.348	0.681	0.52	0.927	0.098	1.0	0.197	0.957	0.999	0.783
Compound_70	O=C(C(F)(F)F)[CH-]C(=O)c1cccs1	0.759	0.458	0.375	0.625	0.454	0.899	0.987	0.979	0.419	0.626	0.96
Compound_71	[NH4+]	0.856	0.149	0.808	0.474	0.598	0.032	0.28	0.483	0.966	0.998	0.865
Compound_72	OCC(CO)O	0.569	0.113	0.051	0.388	0.09	0.098	0.212	0.035	0.092	0.118	0.114
Compound_73	CCCCCCCCCCCCCCCCCC(=C)CCC(CC)C	0.992	0.099	0.372	0.519	0.273	0.037	0.999	0.965	0.986	1.0	0.969
Compound_74	[O-]C(=O)CN	0.141	0.042	0.058	0.255	0.029	0.002	0.0	0.039	0.189	0.007	0.466
Compound_75	[O-]C(=O)CN	0.141	0.042	0.058	0.255	0.029	0.002	0.0	0.039	0.189	0.007	0.466
Compound_76	[O-]C(=O)CN(C(=O)[O-])CCCN(C(=O)[O-])C(=O)[O-]	0.113	0.121	0.123	0.312	0.145	0.04	0.05	0.375	0.172	0.924	0.714
Compound_77	C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C	0.83	0.049	0.76	0.521	0.193	0.036	0.996	0.923	0.888	0.996	0.934
Compound_78	O=[Hf]=O	0.907	0.183	0.428	0.503	0.648	0.055	0.74	0.98	0.948	0.999	0.904
Compound_79	CCCCCCC(=O)[O-]	0.867	0.017	0.103	0.367	0.02	0.002	0.995	0.777	0.109	0.998	0.915
Compound_80	CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.54	0.207	1.0	0.967	0.933	1.0	0.973
Compound_81	COCN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC	0.704	0.414	0.194	0.352	0.129	0.067	0.002	0.482	0.773	0.799	0.431
Compound_82	COCN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC	0.704	0.414	0.194	0.352	0.129	0.067	0.002	0.482	0.773	0.799	0.431
Compound_83	OCC(COC(=O)CCCCC(=O)O)(CO)CO	0.52	0.142	0.053	0.329	0.077	0.159	0.048	0.18	0.269	0.403	0.5
Compound_84	CCCCC(C(=O)[O-])CC	0.897	0.024	0.121	0.339	0.032	0.003	0.981	0.92	0.123	0.998	0.916
Compound_85	CC(CC(C)(C)C)CC(=O)OCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C	0.833	0.01	0.111	0.537	0.225	0.189	0.959	0.792	0.368	0.899	0.862
Compound_86	CCCC(CC(C(=NCCCCCC(=O)O)O)C)C	0.221	0.044	0.064	0.164	0.043	0.019	0.023	0.043	0.204	0.192	0.07
Compound_87	O=[Al]O[Si](=O)O[Si](=O)O[Si](=O)[O-]	0.774	0.139	0.446	0.655	0.689	0.531	0.442	0.976	0.92	0.991	0.716
Compound_88	O=[Si]=O	0.914	0.183	0.428	0.503	0.648	0.184	0.74	0.98	0.948	0.999	0.904
Compound_89	[O-]P(=O)(O)[O-]	0.883	0.149	0.06	0.363	0.61	0.088	0.131	0.026	0.835	0.837	0.632
Compound_90	CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl	0.991	0.357	0.309	0.705	0.305	0.306	1.0	0.986	1.003	1.0	0.761
Compound_91	OCCCCCC(=O)OCCCCCC(=O)OCCOC(=O)C=C	0.939	0.359	0.111	0.772	0.834	0.895	0.936	0.972	0.258	0.932	0.686
Compound_92	OP(=O)(P(=O)(O)O)O	0.878	0.136	0.047	0.261	0.607	0.309	0.131	0.011	0.901	0.234	0.355
Compound_93	CCCCCCCCCCCCc1ccc(cc1)[I+]c1ccc(cc1)CCCCCCCCCCCC	0.918	0.375	0.568	0.621	0.623	0.652	0.995	0.902	0.787	0.998	0.717
Compound_94	O=C(C(=O)c1ccccc1)OCCOCCOC(=O)C(=O)c1ccccc1	0.536	0.59	0.564	0.634	0.114	0.714	0.99	0.262	0.445	0.982	0.906
Compound_95	[O-]C(=O)[O-]	0.829	0.056	0.37	0.368	0.652	0.046	0.612	0.841	0.808	0.879	0.361
Compound_96	CC(CCCCCCC(=O)[O-])C	0.952	0.016	0.452	0.323	0.058	0.002	0.98	0.341	0.011	0.985	0.829
Compound_97	S=[Fe]	0.942	0.148	0.407	0.494	0.646	0.103	0.779	0.904	0.966	1.0	0.623
Compound_98	[O-]C(=O)[O-]	0.829	0.056	0.37	0.368	0.652	0.046	0.612	0.841	0.808	0.879	0.361
Compound_99	[O-]S(=O)(=O)[O-]	0.889	0.122	0.395	0.359	0.537	0.09	0.561	0.841	0.583	0.997	0.226
Compound_100	COC(=O)C12C[N]34Cc5n([Fe]674([N](C1c1ccccn61)(C)C(C(C2(O)O)(C3)C(=O)OC)c1n7cccc1)[Cl-])cccc5	0.668	0.727	0.395	0.359	0.785	0.652	0.546	0.841	0.378	0.246	0.612
Compound_101	[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O	0.43	0.033	0.039	0.294	0.054	0.051	0.064	0.083	0.552	0.014	0.795
Compound_102	[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-]	0.055	0.108	0.029	0.081	0.107	0.005	0.007	0.953	0.058	0.334	0.78
Compound_103	CC(=C)C(=O)OCCNC(C)(C)C	0.051	0.127	0.005	0.403	0.14	0.006	0.001	0.017	0.381	0.14	0.597
Compound_104	CC(CCCCCC(=O)[O-])C	0.946	0.016	0.452	0.323	0.058	0.002	0.98	0.341	0.009	0.985	0.829
Compound_105	CC(CCCCCC(=O)[O-])C	0.946	0.016	0.452	0.323	0.058	0.002	0.98	0.341	0.009	0.985	0.829
Compound_106	CC(CCCCCCCCCCCCCCC(=O)Cl)C	0.992	0.06	0.743	0.672	0.148	0.113	1.0	0.997	0.108	0.997	0.949
Compound_107	[O-][Si](=O)[O-]	0.918	0.131	0.446	0.569	0.648	0.184	0.74	0.988	0.914	0.999	0.864
Compound_108	[OH-]	0.905	0.146	0.732	0.514	0.633	0.054	0.391	0.825	0.927	0.948	0.936
Compound_109	CCCCCCCC(=O)[O-]	0.946	0.017	0.103	0.367	0.049	0.006	0.999	0.777	0.24	0.998	0.915
Compound_110	[O-]P(=O)(O)[O-]	0.883	0.149	0.06	0.363	0.61	0.088	0.131	0.026	0.835	0.837	0.632
Compound_111	[O-][Si]1([O-])O[Si]2(O1)O[Si](O2)([O-])[O-]	0.917	0.269	0.446	0.568	0.722	0.579	0.442	0.939	0.92	0.986	0.782
Compound_112	[O-]c1cccc2c1nccc2	0.742	0.783	0.966	0.522	0.124	0.241	0.122	0.954	0.46	0.999	0.997
Compound_113	OC(=O)C=CC(=O)O	0.766	0.07	0.047	0.233	0.55	0.059	0.928	0.377	0.873	0.317	0.843
Compound_114	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.021	0.037	0.014	0.029	0.168	0.007	0.002	0.873	0.95	0.072	0.347
Compound_115	CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O	0.976	0.051	0.025	0.338	0.403	0.075	0.97	0.899	0.074	0.976	0.366
Compound_116	[OH-]	0.905	0.146	0.732	0.514	0.633	0.054	0.391	0.825	0.927	0.948	0.936
Compound_117	[O-]S(=O)(=O)[O-]	0.889	0.122	0.395	0.359	0.537	0.09	0.561	0.841	0.583	0.997	0.226
Compound_118	[O-]P(=O)([O-])[O-]	0.914	0.213	0.615	0.547	0.588	0.084	0.442	0.989	0.896	0.998	0.803
Compound_119	[O-]C(=O)C	0.769	0.059	0.129	0.298	0.033	0.008	0.9	0.891	0.776	0.922	0.889
Compound_120	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C	0.963	0.702	0.851	0.771	0.876	0.984	0.995	0.926	0.971	0.987	0.974
Compound_121	[O-][Si](=O)[O-][Al](=[O][Si](=O)[O-])(=O)([O-][Si](=O)[O-])([F-])[F-]	0.813	0.192	0.851	0.771	0.75	0.536	0.516	0.926	0.925	0.937	0.636
Compound_122	CC(=CCCC(C1CCC2(C1C(O)CC1C2(C)CC(C2C1(C)CCC(C2(C)C)O)O)C)(O)C)C	0.97	0.99	0.057	0.759	0.918	0.904	0.088	0.891	0.383	0.997	0.851
Compound_123	C	0.888	0.142	0.433	0.496	0.508	0.072	0.686	0.897	0.934	1.0	0.788
Compound_124	OCCOCCO	0.665	0.097	0.086	0.458	0.076	0.188	0.631	0.178	0.187	0.475	0.672
Compound_125	CCCCN(P(=O)(OP(=O)(O)O)O)CCCC	0.278	0.162	0.038	0.326	0.223	0.418	0.016	0.03	0.73	0.148	0.31
Compound_126	C[Sn](=S)S[Sn](=S)C	0.873	0.205	0.313	0.521	0.873	0.918	0.949	0.95	0.915	1.0	0.708
Compound_127	CCCCCCCC[Sn](=S)S[Sn](=S)CCCCCCCC	0.779	0.181	0.291	0.604	0.93	0.987	1.0	0.928	0.993	1.0	0.693
Compound_128	CC(OC(=O)C=CC(=O)O)CC	0.913	0.07	0.028	0.355	0.825	0.443	0.989	0.885	0.842	0.722	0.737
Compound_129	OCCCN(CCCO)CCCO	0.046	0.089	0.074	0.116	0.05	0.143	0.005	0.174	0.064	0.047	0.266
Compound_130	O=C(NCc1ccccc1)CCCCC(=O)NCc1ccccc1	0.088	0.354	0.205	0.354	0.013	0.615	0.625	0.112	0.379	0.024	0.259
Compound_131	CCCCCCCCCCCCCCCCCC[N+](CCC[Si](O)(O)O)(C)C	0.845	0.391	0.016	0.632	0.075	0.257	0.952	0.216	0.884	0.022	0.312
Compound_132	CCCCCCCCNc1ccc(cc1)NCCCCCCCC	0.664	0.292	0.933	0.469	0.155	0.836	0.224	0.509	0.947	0.65	0.124
Compound_133	CCCCCC=CCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCC=CCCCCC	0.364	0.075	0.046	0.356	0.08	0.223	0.142	0.655	0.342	0.477	0.278
Compound_134	[O-]C(=O)CN(c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3ccc(cc3)S(=O)(=O)[O-])nc(n2)N(CC(=O)[O-])CC(=O)[O-])nc(n1)Nc1ccc(cc1)S(=O)(=O)[O-])CC(=O)[O-]	0.942	0.489	0.839	0.37	0.901	0.673	0.976	0.897	0.414	0.138	0.725
Compound_135	Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2	0.984	0.793	0.987	0.685	0.95	0.949	0.991	0.998	0.954	0.999	0.966
Compound_136	CCCCCCCCCCCCCCCCc1cccc2c1cccc2	0.934	0.487	0.617	0.611	0.198	0.456	0.983	0.921	0.791	1.0	0.923
Compound_137	CCCCCCCCCCCCCCCCCCc1cccc2c1cccc2	0.934	0.487	0.617	0.611	0.198	0.456	0.983	0.921	0.791	1.0	0.923
Compound_138	CCCCCCCCCc1c2ccccc2c(c(c1CCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O	0.674	0.451	0.253	0.333	0.809	0.664	0.629	0.579	0.496	0.972	0.159
Compound_139	CCCCCCCCCc1c2ccccc2c(c(c1CCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O	0.674	0.451	0.253	0.333	0.809	0.664	0.629	0.579	0.496	0.972	0.159
Compound_140	CCCCCC(C(=O)[O-])(CC)C	0.948	0.085	0.22	0.32	0.093	0.009	0.973	0.987	0.129	0.997	0.913
Compound_141	[O-]C(=O)CCCCCC(C)(C)C	0.949	0.07	0.103	0.314	0.089	0.008	0.973	0.662	0.116	0.98	0.803
Compound_142	CC(=Nc1ccc(cc1)c1cc(n(n1)C)N=C(O)C)O	0.405	0.556	0.2	0.489	0.383	0.697	0.092	0.674	0.746	0.771	0.256
Compound_143	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_144	[O-2]	0.916	0.151	0.433	0.496	0.605	0.049	0.686	0.897	0.948	0.999	0.943
Compound_145	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_146	CCCCCCCC(=O)[O-]	0.946	0.017	0.103	0.367	0.049	0.006	0.999	0.777	0.24	0.998	0.915
Compound_147	CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCC=CCCCCC	0.384	0.075	0.046	0.356	0.08	0.223	0.142	0.655	0.363	0.477	0.278
Compound_148	CCCCCCCCCc1ccccc1O	0.756	0.293	0.529	0.567	0.283	0.327	0.434	0.948	0.95	0.99	0.664
Compound_149	CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O	0.072	0.099	0.007	0.312	0.01	0.124	0.004	0.171	0.301	0.015	0.062