pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	1	0	[NH3+]c1ncncc1NC=O,Nc1nc[nH+]cc1NC=O,Nc1[nH+]cncc1NC=O	Nc1ncncc1NC=O	mol7063	Nc1ncncc1NC=O
4.45	AttenGpKa training set	1	0	[NH3+]c1ncncc1NC=O,Nc1nc[nH+]cc1NC=O,Nc1[nH+]cncc1NC=O	Nc1ncncc1NC=O	mol7063	Nc1ncncc1NC=O