[
  {
    "molid": "mol32877",
    "smiles": "COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1",
        "std_free_energy": -6.024347305297852,
        "relative_population": 0.9999999978818384
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1",
        "std_free_energy": 0.7012091279029846,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]