pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	AttenGpKa training set	0	-1	CC1(C)OC(O)(c2ccc([N+](=O)[O-])cc2)OC1(C)C	CC1(C)OC([O-])(c2ccc([N+](=O)[O-])cc2)OC1(C)C	mol31272	CC1(C)OC(O)(c2ccc([N+](=O)[O-])cc2)OC1(C)C