pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.72	AttenGpKa training set	0	-1	O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	O=C([O-])c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	mol30880	O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
8.51	AttenGpKa training set	-1	-2	O=C([O-])c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	O=C([O-])c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O,O=C([O-])c1cc(O)c2c(c1)C(=O)c1cccc([O-])c1C2=O	mol30880	O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O