pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.90000009536743	QSARToolbox	1	0	CCS[C@H]1[C@H](O)[C@H]2CC(=O)C[C@@H]1[NH+]2C,CCS[C@H]1[C@H](O)[C@H]2CC(=[OH+])C[C@@H]1N2C	CCS[C@H]1[C@H](O)[C@H]2CC(=O)C[C@@H]1N2C	mol36039	CCSC1[C@H](O)[C@H]2CC(=O)C[C@@H]1N2C