pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	AttenGpKa training set	1	0	C[C@H](O)c1[nH]c2ccc([N+](=O)[O-])cc2[nH+]1	C[C@H](O)c1nc2cc([N+](=O)[O-])ccc2[nH]1	mol26513	CC(O)c1nc2cc([N+](=O)[O-])ccc2[nH]1