pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.22	IUPAC digitized pKa	0	-1	Cc1ccc(OCC(=O)O)c(C)c1	Cc1ccc(OCC(=O)[O-])c(C)c1	mol11227	Cc1ccc(OCC(=O)O)c(C)c1
3.08	IUPAC digitized pKa	0	-1	Cc1ccc(OCC(=O)O)c(C)c1	Cc1ccc(OCC(=O)[O-])c(C)c1	mol11227	Cc1ccc(OCC(=O)O)c(C)c1
3.15	OCHEM	0	-1	Cc1ccc(OCC(=O)O)c(C)c1	Cc1ccc(OCC(=O)[O-])c(C)c1	mol11227	Cc1ccc(OCC(=O)O)c(C)c1
3.22000002861023	QSARToolbox	0	-1	Cc1ccc(OCC(=O)O)c(C)c1	Cc1ccc(OCC(=O)[O-])c(C)c1	mol11227	Cc1ccc(OCC(=O)O)c(C)c1
3.79999995231628	QSARToolbox	0	-1	Cc1ccc(OCC(=O)O)c(C)c1	Cc1ccc(OCC(=O)[O-])c(C)c1	mol11227	Cc1ccc(OCC(=O)O)c(C)c1