pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	0	-1	CC(=O)/C(=N/O)C(C)C	CC(=O)/C(=N/[O-])C(C)C	mol31508	CC(=O)/C(=N/O)C(C)C