[
  {
    "molid": "mol25339",
    "smiles": "Cc1cc(C)n(C(=O)O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(C)n(C(=O)O)n1",
        "std_free_energy": -4.5422234535217285,
        "relative_population": 0.9987270881490631
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)n(C(=O)[O-])n1",
        "std_free_energy": -9.888835906982422,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]