[
  {
    "molid": "mol38093",
    "smiles": "CCCCNCc1ccc([N+](C)(C)C)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCNCc1ccc([N+](C)(C)C)cc1",
        "std_free_energy": -4.0080485343933105,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCCC[NH2+]Cc1ccc([N+](C)(C)C)cc1",
        "std_free_energy": -8.36659049987793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.86999988555908,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]