[
  {
    "molid": "mol29047",
    "smiles": "N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1ccc(C(F)(F)P(=O)([O-])O)cc1)C(=O)[O-]",
        "std_free_energy": -12.959135055541992,
        "relative_population": 0.9894534856446566
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[NH3+][C@@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)C(=O)[O-]",
        "std_free_energy": -14.90917682647705,
        "relative_population": 0.9928175463886552
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]