pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.08	AttenGpKa training set	1	0	CN1C[NH+](C)c2c1[nH]c(=O)[nH]c2=O,CN1C[NH+](C)c2[nH]c(=O)[nH]c(=O)c21	CN1CN(C)c2c1[nH]c(=O)[nH]c2=O	mol29550	CN1CN(C)c2c1[nH]c(=O)[nH]c2=O