pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.66	AttenGpKa training set	1	0	C[N@+]12CC[C@H](CC1)C[C@@H]2C(=O)O	C[N@+]12CC[C@H](CC1)C[C@@H]2C(=O)[O-]	mol22681	C[N+]12CCC(CC1)CC2C(=O)O