pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.99	AttenGpKa training set	0	-1	O=C1C[C@@]2(C(=O)O)CCC[C@H]2O1	O=C1C[C@@]2(C(=O)[O-])CCC[C@H]2O1	mol22322	O=C1C[C@@]2(C(=O)O)CCC[C@H]2O1