pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.73999977111816	QSARToolbox	0	-1	COC(=O)c1cc([N+](=O)[O-])ccc1S	COC(=O)c1cc([N+](=O)[O-])ccc1[S-]	mol36636	COC(=O)c1cc([N+](=O)[O-])ccc1S