[
  {
    "molid": "mol29684",
    "smiles": "Cn1c(=O)[nH]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)[nH]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O",
        "std_free_energy": -7.202704906463623,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "Cn1c(=O)[n-]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O",
        "std_free_energy": -1.0376877784729004,
        "relative_population": 0.9993647127853938
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]