pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	IUPAC digitized pKa	1	0	COc1nc[nH+]cc1N,COc1ncncc1[NH3+],COc1[nH+]cncc1N	COc1ncncc1N	mol7090	COc1ncncc1N
4.21999979019165	QSARToolbox	1	0	COc1nc[nH+]cc1N,COc1ncncc1[NH3+],COc1[nH+]cncc1N	COc1ncncc1N	mol7090	COc1ncncc1N