pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.34	Datawarrior	0	-1	CC1(C)SC[NH2+][C@@H]1C(=O)[O-]	CC1(C)SCN[C@@H]1C(=O)[O-]	mol7578	CC1(C)SCNC1C(=O)O
6.3400002	OCHEM	0	-1	CC1(C)SC[NH2+][C@@H]1C(=O)[O-]	CC1(C)SCN[C@@H]1C(=O)[O-]	mol7578	CC1(C)SCNC1C(=O)O
6.34000015258789	QSARToolbox	0	-1	CC1(C)SC[NH2+][C@@H]1C(=O)[O-]	CC1(C)SCN[C@@H]1C(=O)[O-]	mol7578	CC1(C)SCNC1C(=O)O
1.6	IUPAC digitized pKa	1	0	CC1(C)SC[NH2+][C@@H]1C(=O)O	CC1(C)SC[NH2+][C@@H]1C(=O)[O-]	mol7578	CC1(C)SCNC1C(=O)O