pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	AttenGpKa training set	-1	-2	O=C([O-])CCCC(=O)Nc1nncs1	O=C([O-])CCCC(=O)[N-]c1nncs1	mol25525	O=C(O)CCCC(=O)Nc1nncs1