pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.97	IUPAC digitized pKa	1	0	C[NH2+]c1nc(C)nc(SC)c1N,CNc1nc(C)[nH+]c(SC)c1N,CNc1nc(C)nc(SC)c1[NH3+],CNc1[nH+]c(C)nc(SC)c1N	CNc1nc(C)nc(SC)c1N	mol7100	CNc1nc(C)nc(SC)c1N
6.02	AttenGpKa training set	1	0	C[NH2+]c1nc(C)nc(SC)c1N,CNc1nc(C)[nH+]c(SC)c1N,CNc1nc(C)nc(SC)c1[NH3+],CNc1[nH+]c(C)nc(SC)c1N	CNc1nc(C)nc(SC)c1N	mol7100	CNc1nc(C)nc(SC)c1N