pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.1	AttenGpKa training set	1	0	Cn1n[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1,Cn1nnc(-c2ccc([N+](=O)[O-])cc2)[nH+]1,Cn1nc(-c2ccc([N+](=O)[O-])cc2)n[nH+]1	Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1	mol25962	Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1