[
  {
    "molid": "mol32082",
    "smiles": "NC(Cc1cc(O)ccc1[N+](=O)[O-])C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -9.620011329650879,
        "relative_population": 0.9986349632830859
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](Cc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -7.055797100067139,
        "relative_population": 0.17512306699482288
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)[O-]",
        "std_free_energy": -8.604557037353516,
        "relative_population": 0.8240645828002803
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]