[
  {
    "molid": "mol31301",
    "smiles": "COc1cc(/C=C/C(=O)c2ccc(O)c(=O)cc2)cc(OC)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(/C=C/C(=O)c2ccc(O)c(=O)cc2)cc(OC)c1OC",
        "std_free_energy": -2.862417697906494,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(/C=C/C(=O)c2ccc([O-])c(=O)cc2)cc(OC)c1OC",
        "std_free_energy": -4.056585788726807,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]