pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.53	IUPAC digitized pKa	1	0	CCOC(=O)C[NH2+]c1ncccc1[N+](=O)[O-],CCOC(=O)CNc1[nH+]cccc1[N+](=O)[O-]	CCOC(=O)CNc1ncccc1[N+](=O)[O-]	mol6485	CCOC(=O)CNc1ncccc1[N+](=O)[O-]