pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.39	IUPAC digitized pKa	1	0	CCOC(=O)C[NH2+]c1ccc(Cl)cc1	CCOC(=O)CNc1ccc(Cl)cc1	mol5458	CCOC(=O)CNc1ccc(Cl)cc1