pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	Baltruschat ChEMBL	0	-1	O=C1O[C@@H]([C@H](O)CO)C(O)=C1OCCCCCCO[N+](=O)[O-]	O=C1O[C@@H]([C@H](O)CO)C([O-])=C1OCCCCCCO[N+](=O)[O-]	mol20464	O=C1OC(C(O)CO)C(O)=C1OCCCCCCO[N+](=O)[O-]