pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.91	IUPAC digitized pKa	1	0	COC(=O)[C@@H]1CSC[NH2+]1	COC(=O)[C@@H]1CSCN1	mol4243	COC(=O)C1CSCN1
3.92	Datawarrior	1	0	COC(=O)[C@@H]1CSC[NH2+]1	COC(=O)[C@@H]1CSCN1	mol4243	COC(=O)C1CSCN1
3.9200001	OCHEM	1	0	COC(=O)[C@@H]1CSC[NH2+]1	COC(=O)[C@@H]1CSCN1	mol4243	COC(=O)C1CSCN1
4.0	AttenGpKa training set	1	0	COC(=O)[C@@H]1CSC[NH2+]1	COC(=O)[C@@H]1CSCN1	mol4243	COC(=O)C1CSCN1