[
  {
    "molid": "mol36291",
    "smiles": "FC1CNCCNCCCNCCNC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC1CNCCNCCCNCCNC1",
        "std_free_energy": 0.46665459871292114,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC1CNCCNCCCNCC[NH2+]C1",
        "std_free_energy": -7.294075012207031,
        "relative_population": 0.10184571949794291
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "FC1CNCCNCCC[NH2+]CCNC1",
        "std_free_energy": -9.47095775604248,
        "relative_population": 0.898154280502057
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.960000038147,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.40999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]