pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	IUPAC digitized pKa	1	0	Cn1c[nH+]c2nc(=N)cnc-2c1,Cn1cnc2nc(=N)c[nH+]c-2c1,Cn1cnc2[nH+]c(=N)cnc-2c1,Cn1cnc2nc(=[NH2+])cnc-2c1	Cn1cnc2nc(=N)cnc-2c1	mol8157	Cn1cnc2nc(=N)cnc-2c1
6.82	AttenGpKa training set	1	0	Cn1c[nH+]c2nc(=N)cnc-2c1,Cn1cnc2nc(=N)c[nH+]c-2c1,Cn1cnc2[nH+]c(=N)cnc-2c1,Cn1cnc2nc(=[NH2+])cnc-2c1	Cn1cnc2nc(=N)cnc-2c1	mol8157	Cn1cnc2nc(=N)cnc-2c1