[
  {
    "molid": "mol38391",
    "smiles": "CN(CCN)CCN(C)CCN",
    "microspecies": [
      {
        "id": "3_2",
        "charge": 3,
        "smiles": "CN(CC[NH3+])CC[NH+](C)CC[NH3+]",
        "std_free_energy": -15.542628288269043,
        "relative_population": 0.9998024173954472
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "C[NH+](CC[NH3+])CC[NH+](C)CC[NH3+]",
        "std_free_energy": -7.933423042297363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.61000001430511,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]