pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	IUPAC digitized pKa	0	-1	C[C@H]1CNc2[nH]c(N)nc(=O)c2N1	C[C@H]1CNc2[n-]c(N)nc(=O)c2N1	mol10234	CC1CNc2[nH]c(N)nc(=O)c2N1
5.4	IUPAC digitized pKa	1	0	C[C@H]1CNc2[nH]c(N)[nH+]c(=O)c2N1,C[C@H]1C[NH2+]c2[nH]c(N)nc(=O)c2N1,C[C@H]1CNc2[nH]c([NH3+])nc(=O)c2N1,C[C@H]1CNc2[nH]c(N)nc(=O)c2[NH2+]1	C[C@H]1CNc2[nH]c(N)nc(=O)c2N1	mol10234	CC1CNc2[nH]c(N)nc(=O)c2N1