pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95	Datawarrior	0	-1	C[C@H](C#N)CC(=O)O	C[C@H](C#N)CC(=O)[O-]	mol12488	CC(C#N)CC(=O)O
3.95000004768372	QSARToolbox	0	-1	C[C@H](C#N)CC(=O)O	C[C@H](C#N)CC(=O)[O-]	mol12488	CC(C#N)CC(=O)O