pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	AttenGpKa training set	1	0	Cc1[nH]c2cc([N+](=O)[O-])cc(O)c2[nH+]1	Cc1[nH]c2cc([N+](=O)[O-])cc([O-])c2[nH+]1,Cc1nc2c(O)cc([N+](=O)[O-])cc2[nH]1	mol26490	Cc1nc2c(O)cc([N+](=O)[O-])cc2[nH]1