pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	IUPAC digitized pKa	0	-1	CC[C@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	CC[C@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	mol11880	CCC(CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O