pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	IUPAC digitized pKa	0	-1	Cc1cnc2cnc(=O)[nH]c2n1	Cc1cnc2cnc(=O)[n-]c2n1	mol10100	Cc1cnc2cnc(=O)[nH]c2n1
8.07	AttenGpKa training set	0	-1	Cc1cnc2cnc(=O)[nH]c2n1	Cc1cnc2cnc(=O)[n-]c2n1	mol10100	Cc1cnc2cnc(=O)[nH]c2n1