pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.79	Organic Oxygen Acids and Nitrogen Bases	1	0	CCO[C@]1(c2ccccc2)OCC[NH+](C)[C@H]1C	CCO[C@]1(c2ccccc2)OCCN(C)[C@H]1C	mol21836	CCOC1(c2ccccc2)OCCN(C)C1C