pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	OCHEM	0	-1	CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol30765	CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
4.7	AttenGpKa training set	0	-1	CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol30765	CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O