[
  {
    "molid": "mol12530",
    "smiles": "O=C1C[C@H](C(=O)O)[C@@H](C(=O)O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@H](C(=O)O)[C@@H](C(=O)O)O1",
        "std_free_energy": 2.6801199913024902,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@H](C(=O)O)[C@@H](C(=O)[O-])O1",
        "std_free_energy": -8.031155586242676,
        "relative_population": 0.6985359443257809
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C[C@H](C(=O)[O-])[C@@H](C(=O)O)O1",
        "std_free_energy": -7.19081974029541,
        "relative_population": 0.30146405567421913
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])O1",
        "std_free_energy": -14.770747184753418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.82,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]