pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.18	AttenGpKa training set	1	0	C[N+]1(C)CCC[C@@H](C(=O)O)C1	C[N+]1(C)CCC[C@@H](C(=O)[O-])C1	mol22675	C[N+]1(C)CCCC(C(=O)O)C1