pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1999998092651	QSARToolbox	0	-1	CCOC(=O)[C@@H](Cc1ccc(C#N)cc1)C(C)=O	CCOC(=O)[C-](Cc1ccc(C#N)cc1)C(C)=O	mol34443	CCOC(=O)C(Cc1ccc(C#N)cc1)C(C)=O
11.2299995422363	QSARToolbox	0	-1	CCOC(=O)[C@@H](Cc1ccc(C#N)cc1)C(C)=O	CCOC(=O)[C-](Cc1ccc(C#N)cc1)C(C)=O	mol34443	CCOC(=O)C(Cc1ccc(C#N)cc1)C(C)=O