pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-7.11	AttenGpKa training set	1	0	O=[N+]([O-])c1cc([N+](=O)[O-])c([NH2+]CCO)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1	mol24104	O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1