[
  {
    "molid": "mol2706",
    "smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]",
        "std_free_energy": -3.039210796356201,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CCCC(=O)[C-]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]",
        "std_free_energy": -4.593564987182617,
        "relative_population": 0.9678394182772432
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]