pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Datawarrior	0	-1	CC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O	[CH2-]C(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O,CC(=O)[C-](Cc1ccc([N+](=O)[O-])cc1)C(C)=O	mol15254	CC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O
9.53999996185303	QSARToolbox	0	-1	CC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O	[CH2-]C(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O,CC(=O)[C-](Cc1ccc([N+](=O)[O-])cc1)C(C)=O	mol15254	CC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O