[
  {
    "molid": "mol21783",
    "smiles": "Cc1cc(=O)oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]3O)ccc12",
        "std_free_energy": -2.506187915802002,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@H]3O)ccc12",
        "std_free_energy": -10.19101333618164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]