pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.33	AttenGpKa training set	0	-1	COC(=O)/C=C(\O)c1ccccn1	COC(=O)/C=C(\[O-])c1ccccn1	mol31194	COC(=O)/C=C(\O)c1ccccn1