pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53	AttenGpKa training set	1	0	C[NH2+]c1ncnc2c1[n+](C)c([O-])c(=O)n2C,CNc1ncnc2c1[n+](C)c(O)c(=O)n2C	CNc1ncnc2c1[n+](C)c([O-])c(=O)n2C	mol26286	CNc1ncnc2c1[n+](C)c(O)c(=O)n2C