pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.15	IUPAC digitized pKa	0	-1	O=C(O)Cc1c[nH]c(=S)[nH]c1=O	O=C([O-])Cc1c[nH]c(=S)[nH]c1=O	mol9895	O=C(O)Cc1c[nH]c(=S)[nH]c1=O
8.44	IUPAC digitized pKa	-1	-2	O=C([O-])Cc1c[nH]c(=S)[nH]c1=O	O=C([O-])Cc1c[n-]c(=S)[nH]c1=O,O=C([O-])Cc1c[nH]c(=S)[n-]c1=O	mol9895	O=C(O)Cc1c[nH]c(=S)[nH]c1=O
13.5	IUPAC digitized pKa	-2	-3	O=C([O-])Cc1c[n-]c(=S)[nH]c1=O,O=C([O-])Cc1c[nH]c(=S)[n-]c1=O	O=C([O-])Cc1c[n-]c(=S)[n-]c1=O	mol9895	O=C(O)Cc1c[nH]c(=S)[nH]c1=O