pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	Datawarrior	0	-1	O=CCC=O	O=C[CH-]C=O	mol15905	O=CCC=O
4.5700002	OCHEM	0	-1	O=CCC=O	O=C[CH-]C=O	mol15905	O=CCC=O
4.57000017166138	QSARToolbox	0	-1	O=CCC=O	O=C[CH-]C=O	mol15905	O=CCC=O
5.0	AttenGpKa training set	0	-1	O=CCC=O	O=C[CH-]C=O	mol15905	O=CCC=O