[
  {
    "molid": "mol17781",
    "smiles": "CC(C)CC1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@@H]1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O",
        "std_free_energy": -4.8202033042907715,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@@H]1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1[O-]",
        "std_free_energy": -4.519771575927734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]