pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	IUPAC digitized pKa	0	-1	CN(C)c1ccnc(O)n1	CN(C)c1ccnc([O-])n1	mol4181	CN(C)c1ccnc(O)n1
4.21	IUPAC digitized pKa	1	0	C[NH+](C)c1ccnc(O)n1,CN(C)c1ccnc(O)[nH+]1,CN(C)c1cc[nH+]c(O)n1	CN(C)c1ccnc(O)n1	mol4181	CN(C)c1ccnc(O)n1
4.15	IUPAC digitized pKa	1	0	C[NH+](C)c1ccnc(O)n1,CN(C)c1ccnc(O)[nH+]1,CN(C)c1cc[nH+]c(O)n1	CN(C)c1ccnc(O)n1	mol4181	CN(C)c1ccnc(O)n1