[
  {
    "molid": "mol36082",
    "smiles": "CN(C)C(C)(C)CN",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C(C)(C)C[NH3+]",
        "std_free_energy": -7.405073642730713,
        "relative_population": 0.3340468503848248
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)C(C)(C)CN",
        "std_free_energy": -8.095011711120605,
        "relative_population": 0.6659531496151753
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)C(C)(C)C[NH3+]",
        "std_free_energy": -8.236055374145508,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59000015258789,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]