pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	IUPAC digitized pKa	1	0	NC1=Nc2[nH+]ccnc2[C@@H](C[N+](=O)[O-])N1,NC1=Nc2ncc[nH+]c2[C@@H](C[N+](=O)[O-])N1,NC1=[NH+]c2nccnc2[C@@H](C[N+](=O)[O-])N1	NC1=Nc2nccnc2[C@@H](C[N+](=O)[O-])N1	mol8069	NC1=Nc2nccnc2C(C[N+](=O)[O-])N1
7.25	AttenGpKa training set	1	0	NC1=Nc2[nH+]ccnc2[C@@H](C[N+](=O)[O-])N1,NC1=Nc2ncc[nH+]c2[C@@H](C[N+](=O)[O-])N1,NC1=[NH+]c2nccnc2[C@@H](C[N+](=O)[O-])N1	NC1=Nc2nccnc2[C@@H](C[N+](=O)[O-])N1	mol8069	NC1=Nc2nccnc2C(C[N+](=O)[O-])N1