[
  {
    "molid": "mol35105",
    "smiles": "C[C@H]1CCC[C@@H](N(C)C)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CCC[C@@H](N(C)C)C1",
        "std_free_energy": -0.4176815152168274,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CCC[C@@H]([NH+](C)C)C1",
        "std_free_energy": -9.372859954833984,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5100002288818,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]