pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	IUPAC digitized pKa	1	0	CC(=O)c1ccc(-n2cc[nH+]c2)cc1	CC(=O)c1ccc(-n2ccnc2)cc1	mol6630	CC(=O)c1ccc(-n2ccnc2)cc1