pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.04	Datawarrior	0	-1	CC(C)(C#N)CC(=O)O	CC(C)(C#N)CC(=O)[O-]	mol13504	CC(C)(C#N)CC(=O)O
4.03999996185303	QSARToolbox	0	-1	CC(C)(C#N)CC(=O)O	CC(C)(C#N)CC(=O)[O-]	mol13504	CC(C)(C#N)CC(=O)O