[
  {
    "molid": "mol15477",
    "smiles": "Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -4.710948944091797,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -3.3368723392486572,
        "relative_population": 0.8439954416357425
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -1.6486104726791382,
        "relative_population": 0.15600455836425747
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": 5.428897857666016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.0300002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.3500003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]