pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Nc1ccccc1C(=O)O	CC(=O)Nc1ccccc1C(=O)[O-]	mol10985	CC(=O)Nc1ccccc1C(=O)O
3.63	OCHEM	0	-1	CC(=O)Nc1ccccc1C(=O)O	CC(=O)Nc1ccccc1C(=O)[O-]	mol10985	CC(=O)Nc1ccccc1C(=O)O
3.60999989509583	QSARToolbox	0	-1	CC(=O)Nc1ccccc1C(=O)O	CC(=O)Nc1ccccc1C(=O)[O-]	mol10985	CC(=O)Nc1ccccc1C(=O)O
3.67	AttenGpKa training set	0	-1	CC(=O)Nc1ccccc1C(=O)O	CC(=O)Nc1ccccc1C(=O)[O-]	mol10985	CC(=O)Nc1ccccc1C(=O)O