pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	IUPAC digitized pKa	1	0	O=[N+]([O-])c1cccc2cnc[nH+]c12,O=[N+]([O-])c1cccc2c[nH+]cnc12	O=[N+]([O-])c1cccc2cncnc12	mol4650	O=[N+]([O-])c1cccc2cncnc12
3.98000001907349	QSARToolbox	1	0	O=[N+]([O-])c1cccc2cnc[nH+]c12,O=[N+]([O-])c1cccc2c[nH+]cnc12	O=[N+]([O-])c1cccc2cncnc12	mol4650	O=[N+]([O-])c1cccc2cncnc12
4.0	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc2cnc[nH+]c12,O=[N+]([O-])c1cccc2c[nH+]cnc12	O=[N+]([O-])c1cccc2cncnc12	mol4650	O=[N+]([O-])c1cccc2cncnc12