pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.03	AttenGpKa training set	1	0	O=[N+]([O-])c1c[nH+]c2ccccc2c1	O=[N+]([O-])c1cnc2ccccc2c1	mol4462	O=[N+]([O-])c1cnc2ccccc2c1