pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.0	QSARToolbox	0	-1	C[C@@H](O)c1ccccn1	C[C@@H]([O-])c1ccccn1,C[C-](O)c1ccccn1	mol6495	CC(O)c1ccccn1
4.8	IUPAC digitized pKa	1	0	C[C@@H](O)c1cccc[nH+]1	C[C@@H](O)c1ccccn1	mol6495	CC(O)c1ccccn1
4.80000019073486	QSARToolbox	1	0	C[C@@H](O)c1cccc[nH+]1	C[C@@H](O)c1ccccn1	mol6495	CC(O)c1ccccn1