pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	AttenGpKa training set	0	-1	COc1ccc2c(C[C@H]([NH3+])C(=O)[O-])c[nH]c2c1	COc1ccc2c(C[C@H](N)C(=O)[O-])c[nH]c2c1	mol26529	COc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1
16.7	AttenGpKa training set	-1	-2	COc1ccc2c(C[C@H](N)C(=O)[O-])c[nH]c2c1	COc1ccc2c(C[C@H](N)C(=O)[O-])c[n-]c2c1	mol26529	COc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1