[
  {
    "molid": "mol35672",
    "smiles": "CCN1c2cc(C)c(C)cc2N(C)C2=NC(=O)N(C)C(=O)C21O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN1c2cc(C)c(C)cc2N(C)C2=NC(=O)N(C)C(=O)[C@@]21O",
        "std_free_energy": -6.413488388061523,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN1c2cc(C)c(C)cc2N(C)C2=NC(=O)N(C)C(=O)[C@@]21[O-]",
        "std_free_energy": -0.7237327098846436,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.89999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]