pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.93	AttenGpKa training set	0	-1	N#CNC(=O)c1ccccc1	N#C[N-]C(=O)c1ccccc1	mol27187	N#CNC(=O)c1ccccc1