pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	IUPAC digitized pKa	0	-1	S=c1cnc2cnc[nH]c-2n1	S=c1cnc2cnc[n-]c-2n1	mol9636	S=c1cnc2cnc[nH]c-2n1