pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	Datawarrior	0	-1	CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O	CC(=O)[C-](Cc1ccc(C#N)cc1)C(C)=O	mol14465	CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O
9.6899996	OCHEM	0	-1	CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O	CC(=O)[C-](Cc1ccc(C#N)cc1)C(C)=O	mol14465	CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O
9.6899995803833	QSARToolbox	0	-1	CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O	CC(=O)[C-](Cc1ccc(C#N)cc1)C(C)=O	mol14465	CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O