pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.43	IUPAC digitized pKa	0	-1	CN(C)c1nc(O)nc2nccnc12	CN(C)c1nc([O-])nc2nccnc12	mol8175	CN(C)c1nc(O)nc2nccnc12
2.72	IUPAC digitized pKa	1	0	CN(C)c1nc(O)[nH+]c2nccnc12,C[NH+](C)c1nc(O)nc2nccnc12,CN(C)c1nc(O)nc2[nH+]ccnc12,CN(C)c1nc(O)nc2ncc[nH+]c12,CN(C)c1[nH+]c(O)nc2nccnc12	CN(C)c1nc(O)nc2nccnc12	mol8175	CN(C)c1nc(O)nc2nccnc12