pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	Datawarrior	0	-1	C[C@@H](O)c1cccc(O)c1CO	C[C@@H](O)c1cccc([O-])c1CO	mol12560	CC(O)c1cccc(O)c1CO
9.8999996	OCHEM	0	-1	C[C@@H](O)c1cccc(O)c1CO	C[C@@H](O)c1cccc([O-])c1CO	mol12560	CC(O)c1cccc(O)c1CO