[
  {
    "molid": "mol31594",
    "smiles": "COc1cccc(/C(C)=N/O)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(/C(C)=N/[O-])c1O",
        "std_free_energy": 1.4173569679260254,
        "relative_population": 0.12535818255845657
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cccc(/C(C)=N/O)c1[O-]",
        "std_free_energy": -0.5252823829650879,
        "relative_population": 0.8746418174415435
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cccc(/C(C)=N/[O-])c1[O-]",
        "std_free_energy": 13.053905487060547,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.56,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]