pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.5	AttenGpKa training set	0	-1	O=C(O)c1c[n+]([O-])ccc1[N+](=O)[O-]	O=C([O-])c1c[n+]([O-])ccc1[N+](=O)[O-]	mol9630	O=C(O)c1c[n+]([O-])ccc1[N+](=O)[O-]