pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	AttenGpKa training set	0	-1	CCC[C@H](C(=O)O)[C@@H](CCC)C(=O)O	CCC[C@H](C(=O)O)[C@@H](CCC)C(=O)[O-]	mol22603	CCC[C@H](C(=O)O)[C@@H](CCC)C(=O)O