pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.59	AttenGpKa training set	0	-1	O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c21	O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c([O-])c21	mol30806	O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c21