pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.68	IUPAC digitized pKa	1	0	NC1=[NH+]c2nccnc2CN1,NC1=Nc2ncc[nH+]c2CN1,NC1=Nc2[nH+]ccnc2CN1	NC1=Nc2nccnc2CN1	mol8045	NC1=Nc2nccnc2CN1
7.73	AttenGpKa training set	1	0	NC1=[NH+]c2nccnc2CN1,NC1=Nc2ncc[nH+]c2CN1,NC1=Nc2[nH+]ccnc2CN1	NC1=Nc2nccnc2CN1	mol8045	NC1=Nc2nccnc2CN1