pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.27	AttenGpKa training set	1	0	C[N@+]12CC[C@H](CC1)[C@@H](C(=O)O)C2	C[N@+]12CC[C@H](CC1)[C@@H](C(=O)[O-])C2	mol22683	C[N+]12CCC(CC1)C(C(=O)O)C2