pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.76	AttenGpKa training set	1	0	CNC(=O)c1ccnc[nH+]1,CNC(=O)c1cc[nH+]cn1	CNC(=O)c1ccncn1	mol25718	CNC(=O)c1ccncn1