[
  {
    "molid": "mol31524",
    "smiles": "CC(C)=CCC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)=CCC(=O)/C=N/O",
        "std_free_energy": -6.143923759460449,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)=CCC(=O)/C=N/[O-]",
        "std_free_energy": -1.7105748653411865,
        "relative_population": 0.9742194601508817
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]