pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Datawarrior	0	-1	COCC1=C(C(=O)O)CCC1	COCC1=C(C(=O)[O-])CCC1	mol14122	COCC1=C(C(=O)O)CCC1