pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.03	IUPAC digitized pKa	1	0	O=[N+]([O-])c1ccc2cnc[nH+]c2c1,O=[N+]([O-])c1ccc2c[nH+]cnc2c1	O=[N+]([O-])c1ccc2cncnc2c1	mol4649	O=[N+]([O-])c1ccc2cncnc2c1
4.05	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2cnc[nH+]c2c1,O=[N+]([O-])c1ccc2c[nH+]cnc2c1	O=[N+]([O-])c1ccc2cncnc2c1	mol4649	O=[N+]([O-])c1ccc2cncnc2c1