pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.57	IUPAC digitized pKa	1	0	CN(C)c1nc2c(c(C(=O)O)n1)N=C(O)C[NH2+]2,CN(C)c1nc2c(c(C(=O)O)[nH+]1)N=C(O)CN2,C[NH+](C)c1nc2c(c(C(=O)O)n1)N=C(O)CN2,CN(C)c1nc2c(c(C(=O)O)n1)[NH+]=C(O)CN2	C[NH+](C)c1nc2c(c(C(=O)[O-])n1)N=C(O)CN2,CN(C)c1nc2c(c(C(=O)O)n1)N=C(O)CN2,CN(C)c1nc2c(c(C(=O)[O-])[nH+]1)N=C(O)CN2	mol4746	CN(C)c1nc2c(c(C(=O)O)n1)N=C(O)CN2
7.31	IUPAC digitized pKa	-1	-2	CN(C)c1nc2c(c(C(=O)[O-])n1)N=C(O)CN2	CN(C)c1nc2c(c(C(=O)[O-])n1)N=C([O-])CN2	mol4746	CN(C)c1nc2c(c(C(=O)O)n1)N=C(O)CN2