pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89	AttenGpKa training set	0	-1	NC(=O)/C=C(\O)c1ccccc1	NC(=O)/C=C(\[O-])c1ccccc1	mol31176	NC(=O)/C=C(\O)c1ccccc1