[
  {
    "molid": "mol38456",
    "smiles": "NCCCCCCCCCCCCCCCCCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCCCCCCCCCCCCCCCCCN",
        "std_free_energy": 1.9367268085479736,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NCCCCCCCCCCCCCCCCCC[NH3+]",
        "std_free_energy": -7.969608783721924,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5600004196167,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]