pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94	IUPAC digitized pKa	0	-1	Cc1cc(=O)[nH]c(=S)[nH]1	Cc1cc(=O)[n-]c(=S)[nH]1,Cc1cc(=O)[nH]c(=S)[n-]1	mol9495	Cc1cc(=O)[nH]c(=S)[nH]1
7.73	Datawarrior	0	-1	Cc1cc(=O)[nH]c(=S)[nH]1	Cc1cc(=O)[n-]c(=S)[nH]1,Cc1cc(=O)[nH]c(=S)[n-]1	mol9495	Cc1cc(=O)[nH]c(=S)[nH]1
8.10000038146973	QSARToolbox	0	-1	Cc1cc(=O)[nH]c(=S)[nH]1	Cc1cc(=O)[n-]c(=S)[nH]1,Cc1cc(=O)[nH]c(=S)[n-]1	mol9495	Cc1cc(=O)[nH]c(=S)[nH]1
7.36999988555908	QSARToolbox	0	-1	Cc1cc(=O)[nH]c(=S)[nH]1	Cc1cc(=O)[n-]c(=S)[nH]1,Cc1cc(=O)[nH]c(=S)[n-]1	mol9495	Cc1cc(=O)[nH]c(=S)[nH]1