[
  {
    "molid": "mol31194",
    "smiles": "COC(=O)/C=C(\\O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)/C=C(\\O)c1ccccn1",
        "std_free_energy": -4.034430980682373,
        "relative_population": 0.9792092845414702
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)/C=C(\\[O-])c1ccccn1",
        "std_free_energy": -0.861678957939148,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]