pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.91	Datawarrior	0	-1	O=S(=O)([O-])C[C@@H](O)C[NH+]1CCOCC1	O=S(=O)([O-])C[C@@H](O)CN1CCOCC1	mol13302	O=S(=O)(O)CC(O)CN1CCOCC1
6.9099998	OCHEM	0	-1	O=S(=O)([O-])C[C@@H](O)C[NH+]1CCOCC1	O=S(=O)([O-])C[C@@H](O)CN1CCOCC1	mol13302	O=S(=O)(O)CC(O)CN1CCOCC1
6.87	AttenGpKa training set	0	-1	O=S(=O)([O-])C[C@@H](O)C[NH+]1CCOCC1	O=S(=O)([O-])C[C@@H](O)CN1CCOCC1	mol13302	O=S(=O)(O)CC(O)CN1CCOCC1