[
  {
    "molid": "mol27873",
    "smiles": "COC(=O)[C@@H]([C@H](C)O)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)[C@@H]([C@H](C)O)[N+](=O)[O-]",
        "std_free_energy": -6.941537857055664,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)[C-]([C@H](C)O)[N+](=O)[O-]",
        "std_free_energy": -2.2910051345825195,
        "relative_population": 0.999987664449545
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]