pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cccnc1S	O=[N+]([O-])c1cccnc1[S-]	mol6511	O=[N+]([O-])c1cccnc1S
6.90000009536743	QSARToolbox	0	-1	O=[N+]([O-])c1cccnc1S	O=[N+]([O-])c1cccnc1[S-]	mol6511	O=[N+]([O-])c1cccnc1S
-2.49000000953674	QSARToolbox	1	0	O=[N+]([O-])c1ccc[nH+]c1S	O=[N+]([O-])c1cccnc1S	mol6511	O=[N+]([O-])c1cccnc1S