pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Datawarrior	0	-1	O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc([S-])c([N+](=O)[O-])c1	mol13877	O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1
3.4000001	OCHEM	0	-1	O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc([S-])c([N+](=O)[O-])c1	mol13877	O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1
3.40000009536743	QSARToolbox	0	-1	O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc([S-])c([N+](=O)[O-])c1	mol13877	O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1