pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.72	IUPAC digitized pKa	1	0	O=[N+]([O-])c1ccc2[nH+]cccc2c1	O=[N+]([O-])c1ccc2ncccc2c1	mol4464	O=[N+]([O-])c1ccc2ncccc2c1
2.76	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2[nH+]cccc2c1	O=[N+]([O-])c1ccc2ncccc2c1	mol4464	O=[N+]([O-])c1ccc2ncccc2c1