pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.2	IUPAC digitized pKa	1	0	COc1cccc2nc[n+](O)cc12,COc1cccc2[nH+]c[n+]([O-])cc12	COc1cccc2nc[n+]([O-])cc12	mol4655	COc1cccc2nc[n+]([O-])cc12