pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Baltruschat ChEMBL	1	0	[NH3+][C@@H]1CCN(OCc2ccccc2)C1=O	N[C@@H]1CCN(OCc2ccccc2)C1=O	mol16246	NC1CCN(OCc2ccccc2)C1=O
6.6	Baltruschat ChEMBL	1	0	[NH3+][C@@H]1CCN(OCc2ccccc2)C1=O	N[C@@H]1CCN(OCc2ccccc2)C1=O	mol16246	NC1CCN(OCc2ccccc2)C1=O