pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.73	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
5.25	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.76	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.75	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.79	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.95	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
5.21	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
5.51	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
5.74	IUPAC digitized pKa	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.7	Datawarrior	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.756	OCHEM	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.55	OCHEM	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.6999998	OCHEM	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
4.76000022888184	QSARToolbox	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O