[
  {
    "molid": "mol22832",
    "smiles": "O=Cc1cc(C(=O)O)cc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1cc(C(=O)O)cc([N+](=O)[O-])c1",
        "std_free_energy": -1.4743050336837769,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1",
        "std_free_energy": -10.541237831115723,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]