[
  {
    "molid": "mol31107",
    "smiles": "CC(=O)/C(C)=C(/C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)/C(C)=C(/C)O",
        "std_free_energy": -5.523636817932129,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)/C(C)=C(/C)[O-]",
        "std_free_energy": -0.4996923804283142,
        "relative_population": 0.6791299169161046
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]/C(O)=C(\\C)C(C)=O",
        "std_free_energy": 0.2500839829444885,
        "relative_population": 0.32087000798001303
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]