pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.29	Hunt	0	-1	C[C@](C#N)(C(=O)O)c1ccccc1	C[C@](C#N)(C(=O)[O-])c1ccccc1	mol2548	C[C@](C#N)(C(=O)O)c1ccccc1