pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	AttenGpKa training set	1	0	O=C(O)C1=[NH+]CC=C1	O=C([O-])C1=[NH+]CC=C1	mol25262	O=C(O)C1=NCC=C1