pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Datawarrior	0	-1	[O-][S@@+](Cc1ccccc1)c1ncc[nH]1	[O-][S@@+](Cc1ccccc1)c1ncc[n-]1	mol13405	[O-][S+](Cc1ccccc1)c1ncc[nH]1
9.8000002	OCHEM	0	-1	[O-][S@@+](Cc1ccccc1)c1ncc[nH]1	[O-][S@@+](Cc1ccccc1)c1ncc[n-]1	mol13405	[O-][S+](Cc1ccccc1)c1ncc[nH]1
9.80000019073486	QSARToolbox	0	-1	[O-][S@@+](Cc1ccccc1)c1ncc[nH]1	[O-][S@@+](Cc1ccccc1)c1ncc[n-]1	mol13405	[O-][S+](Cc1ccccc1)c1ncc[nH]1