pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.09	IUPAC digitized pKa	1	0	CNc1ncc(NC=O)c(N)[nH+]1,C[NH2+]c1ncc(NC=O)c(N)n1,CNc1nc(N)c(NC=O)c[nH+]1,CNc1ncc(NC=O)c([NH3+])n1	CNc1ncc(NC=O)c(N)n1	mol7066	CNc1ncc(NC=O)c(N)n1
6.12	AttenGpKa training set	1	0	CNc1ncc(NC=O)c(N)[nH+]1,C[NH2+]c1ncc(NC=O)c(N)n1,CNc1nc(N)c(NC=O)c[nH+]1,CNc1ncc(NC=O)c([NH3+])n1	CNc1ncc(NC=O)c(N)n1	mol7066	CNc1ncc(NC=O)c(N)n1