[
  {
    "molid": "mol36012",
    "smiles": "Cc1ncc(CN2CCCCC2)c(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncc(CN2CCCCC2)c(N)n1",
        "std_free_energy": -4.127478122711182,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ncc(CN2CCCCC2)c([NH3+])n1",
        "std_free_energy": -6.319558620452881,
        "relative_population": 0.08552657329334505
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ncc(C[NH+]2CCCCC2)c(N)n1",
        "std_free_energy": -8.631452560424805,
        "relative_population": 0.8632644423875633
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]