pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.91	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccccc1[C@@H](OCC[NH+](C)C)c1ccccc1	Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1	mol16585	Cc1ccccc1C(OCCN(C)C)c1ccccc1
8.4	Baltruschat ChEMBL	1	0	Cc1ccccc1[C@@H](OCC[NH+](C)C)c1ccccc1	Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1	mol16585	Cc1ccccc1C(OCCN(C)C)c1ccccc1