pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.47	AttenGpKa training set	1	0	Cn1cc[n+](CCCCCCCC(=O)O)c1	Cn1cc[n+](CCCCCCCC(=O)[O-])c1	mol25542	Cn1cc[n+](CCCCCCCC(=O)O)c1