pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	Baltruschat ChEMBL	1	0	""	O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1	mol17052	O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)c1ccco1