pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.875	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.88	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.9	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.66	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.86	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.69	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.89	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.7	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.873	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.87	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.891	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.901	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.912	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
5.07	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
5.3	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
5.64	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
5.92	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.5	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.35	IUPAC digitized pKa	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.83	Datawarrior	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.874	OCHEM	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.8299999	OCHEM	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
5.48999977111816	QSARToolbox	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.88000011444092	QSARToolbox	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
4.86999988555908	QSARToolbox	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O