pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.69	IUPAC digitized pKa	1	0	O=[N+]([O-])c1cccc2[nH+]cccc12	O=[N+]([O-])c1cccc2ncccc12	mol4463	O=[N+]([O-])c1cccc2ncccc12
2.73	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc2[nH+]cccc12	O=[N+]([O-])c1cccc2ncccc12	mol4463	O=[N+]([O-])c1cccc2ncccc12