pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95000004768372	QSARToolbox	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1S	O=C([O-])c1cc([N+](=O)[O-])ccc1S,O=C(O)c1cc([N+](=O)[O-])ccc1[S-]	mol36376	O=C(O)c1cc([N+](=O)[O-])ccc1S