[
  {
    "molid": "mol38351",
    "smiles": "CC(C(=O)CCN1CCCCC1)N1C(=O)C2CC=CCC2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)CCN1CCCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O",
        "std_free_energy": -3.415175199508667,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H](C(=O)CC[NH+]1CCCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O",
        "std_free_energy": -8.093992233276367,
        "relative_population": 0.9899691535879863
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]