pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.32	AttenGpKa training set	1	0	C[N@+]12CC[C@](C(=O)O)(CC1)CC2	C[N@+]12CC[C@](C(=O)[O-])(CC1)CC2	mol22682	C[N+]12CCC(C(=O)O)(CC1)CC2