[
  {
    "molid": "mol38485",
    "smiles": "NCCCCCNc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCCCCNc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -1.4972598552703857,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CCCCCNc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -10.878362655639648,
        "relative_population": 0.9924045574077651
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4499998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]