pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.33	IUPAC digitized pKa	1	0	Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1[NH3+],Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH+]c1N	Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N	mol5520	Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N