pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.655	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.54	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.953	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.868	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.791	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.72	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.595	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.491	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.446	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.406	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.369	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.337	IUPAC digitized pKa	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.64999961853027	QSARToolbox	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
9.66	AttenGpKa training set	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1