pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	AttenGpKa training set	0	-1	CC(=O)N(C)c1cc(C(=O)O)ccc1C(=O)O	CC(=O)N(C)c1cc(C(=O)O)ccc1C(=O)[O-],CC(=O)N(C)c1cc(C(=O)[O-])ccc1C(=O)O	mol23031	CC(=O)N(C)c1cc(C(=O)O)ccc1C(=O)O
4.31	AttenGpKa training set	-1	-2	CC(=O)N(C)c1cc(C(=O)O)ccc1C(=O)[O-],CC(=O)N(C)c1cc(C(=O)[O-])ccc1C(=O)O	CC(=O)N(C)c1cc(C(=O)[O-])ccc1C(=O)[O-]	mol23031	CC(=O)N(C)c1cc(C(=O)O)ccc1C(=O)O