pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Baltruschat ChEMBL	0	-1	N#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	N#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]c1=O	mol16116	N#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O