pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.81	IUPAC digitized pKa	0	-1	CN(C)c1nc(O)c2nccnc2n1	CN(C)c1nc([O-])c2nccnc2n1	mol4803	CN(C)c1nc(O)c2nccnc2n1
2.26	IUPAC digitized pKa	1	0	CN(C)c1nc2nccnc2c(O)[nH+]1,CN(C)c1nc(O)c2[nH+]ccnc2n1,C[NH+](C)c1nc(O)c2nccnc2n1,CN(C)c1nc(O)c2ncc[nH+]c2n1,CN(C)c1nc(O)c2nccnc2[nH+]1	CN(C)c1nc(O)c2nccnc2n1	mol4803	CN(C)c1nc(O)c2nccnc2n1