pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	IUPAC digitized pKa	0	-1	[O-][n+]1ccccc1S,O[n+]1ccccc1[S-]	[O-][n+]1ccccc1[S-]	mol3836	[O-][n+]1ccccc1S
4.57999992370606	QSARToolbox	0	-1	[O-][n+]1ccccc1S,O[n+]1ccccc1[S-]	[O-][n+]1ccccc1[S-]	mol3836	[O-][n+]1ccccc1S
0.5	QSARToolbox	1	0	O[n+]1ccccc1S	[O-][n+]1ccccc1S,O[n+]1ccccc1[S-]	mol3836	[O-][n+]1ccccc1S