[
  {
    "molid": "mol38405",
    "smiles": "CC(C)(CCN)CCN",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(CCN)CC[NH3+]",
        "std_free_energy": -8.046928405761719,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC(C)(CC[NH3+])CC[NH3+]",
        "std_free_energy": -14.450887680053711,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.85000038146973,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]