[
  {
    "molid": "mol32072",
    "smiles": "NC(Cc1cccc([N+](=O)[O-])c1O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1cccc([N+](=O)[O-])c1O)C(=O)[O-]",
        "std_free_energy": -9.709266662597656,
        "relative_population": 0.997678964275305
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](Cc1cccc([N+](=O)[O-])c1O)C(=O)[O-]",
        "std_free_energy": -6.878800868988037,
        "relative_population": 0.16203412795411
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1cccc([N+](=O)[O-])c1[O-])C(=O)[O-]",
        "std_free_energy": -8.520711898803711,
        "relative_population": 0.8369112314454122
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]