[
  {
    "molid": "mol31146",
    "smiles": "CC(=O)/C=C(O)/C=C(/C)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)/C=C(O)/C=C(/C)[O-]",
        "std_free_energy": -1.9702637195587158,
        "relative_population": 0.4239415313125422
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)/C=C([O-])/C=C(/C)O",
        "std_free_energy": -2.2768771648406982,
        "relative_population": 0.5760583704551785
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(=O)/C=C([O-])/C=C(/C)[O-]",
        "std_free_energy": 10.041322708129883,
        "relative_population": 0.9774451174859479
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]