pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	AttenGpKa training set	0	-1	Cc1cc([N+](=O)[O-])c(C(C)C)c(O)c1[N+](=O)[O-]	Cc1cc([N+](=O)[O-])c(C(C)C)c([O-])c1[N+](=O)[O-]	mol30766	Cc1cc([N+](=O)[O-])c(C(C)C)c(O)c1[N+](=O)[O-]