pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.57	AttenGpKa training set	0	-1	CCC(OO)(c1ccccc1)c1ccccc1	CCC(O[O-])(c1ccccc1)c1ccccc1	mol31380	CCC(OO)(c1ccccc1)c1ccccc1