pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Baltruschat ChEMBL	1	0	[NH3+]CCc1c[nH]c2c1C(=O)C(=O)C=C2O	[NH3+]CCc1c[nH]c2c1C(=O)C(=O)C=C2[O-]	mol18179	NCCc1c[nH]c2c1C(=O)C(=O)C=C2O