[
  {
    "molid": "mol11723",
    "smiles": "Cc1cccc2[nH]cc(CC(N)C(=O)O)c12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccc2[nH]cc(C[C@@H](N)C(=O)[O-])c12",
        "std_free_energy": -6.4440836906433105,
        "relative_population": 0.9999999952217734
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cccc2[n-]cc(C[C@@H](N)C(=O)[O-])c12",
        "std_free_energy": 13.192604064941406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 16.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]