[
  {
    "molid": "mol31156",
    "smiles": "OC(O)C#Cc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C(O)C#Cc1ccccc1",
        "std_free_energy": 5.416098594665527,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]C([O-])C#Cc1ccccc1",
        "std_free_energy": 7.836306571960449,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.77,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]