[
  {
    "molid": "mol32237",
    "smiles": "COC(=O)CC1c2ccc(Cl)cc2NC(=O)C1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1[N+](=O)[O-]",
        "std_free_energy": -4.6193437576293945,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C-]1[N+](=O)[O-]",
        "std_free_energy": -4.823158264160156,
        "relative_population": 0.9891841375382288
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]