[
  {
    "molid": "mol16330",
    "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O",
        "std_free_energy": -5.929047107696533,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1O",
        "std_free_energy": -2.6501564979553223,
        "relative_population": 0.6576713447049545
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1[O-]",
        "std_free_energy": -1.9972224235534668,
        "relative_population": 0.3423286552950455
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]