[
  {
    "molid": "mol13549",
    "smiles": "O=C1COC=C(O)C1=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[cH-]occ(O)c1=O",
        "std_free_energy": -2.959590435028076,
        "relative_population": 0.359957601250128
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1COC=C([O-])C1=O",
        "std_free_energy": -3.5351386070251465,
        "relative_population": 0.6400423987498721
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1[cH-]occ([O-])c1=O",
        "std_free_energy": 4.85426664352417,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.48,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]