[
  {
    "molid": "mol32080",
    "smiles": "NC(Cc1cc([N+](=O)[O-])ccc1O)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@@H](Cc1cc([N+](=O)[O-])ccc1O)C(=O)[O-]",
        "std_free_energy": -9.734024047851562,
        "relative_population": 0.9950659645572288
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@@H](Cc1cc([N+](=O)[O-])ccc1O)C(=O)[O-]",
        "std_free_energy": -7.216283321380615,
        "relative_population": 0.16972358246207944
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]",
        "std_free_energy": -8.80277156829834,
        "relative_population": 0.8293641933267548
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]