pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.62	IUPAC digitized pKa	1	0	c1cnc2c(n1)C[NH2+]CN2	c1cnc2c(n1)CNCN2	mol8216	c1cnc2c(n1)CNCN2
0.1	AttenGpKa training set	2	1	c1cnc2c(n1)C[NH2+]C[NH2+]2,c1c[nH+]c2c(n1)C[NH2+]CN2	c1cnc2c(n1)C[NH2+]CN2	mol8216	c1cnc2c(n1)CNCN2