[
  {
    "molid": "mol38381",
    "smiles": "CN(C)CCNc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCNc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -4.311651706695557,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -9.602542877197266,
        "relative_population": 0.9794804745371435
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.43000030517578,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]