[
  {
    "molid": "mol26522",
    "smiles": "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "N[C@@H](Cc1c[n-]c2ccc([O-])cc12)C(=O)[O-]",
        "std_free_energy": 14.648502349853516,
        "relative_population": 1.0
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "N[C@@H](Cc1c[nH]c2ccc([O-])cc12)C(=O)[O-]",
        "std_free_energy": 3.894024610519409,
        "relative_population": 0.9984439799821734
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 18.575,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]