[
  {
    "molid": "mol35520",
    "smiles": "Nc1cc([N+](=O)[O-])ccc1N1CCNCCNCCNCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc([N+](=O)[O-])ccc1N1CCNCCNCCNCC1",
        "std_free_energy": -2.4811854362487793,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc([N+](=O)[O-])ccc1N1CCNCC[NH2+]CCNCC1",
        "std_free_energy": -9.383550643920898,
        "relative_population": 0.5221929014481431
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1cc([N+](=O)[O-])ccc1N1CCNCCNCC[NH2+]CC1",
        "std_free_energy": -9.139291763305664,
        "relative_population": 0.4090257784318311
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7399997711182,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]