[
  {
    "molid": "mol15583",
    "smiles": "C=C(C)[C@@H]1CN(C(C)=O)[C@H](C(=O)OC)[C@@H]1CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(C)[C@@H]1CN(C(C)=O)[C@H](C(=O)OC)[C@@H]1CC(=O)O",
        "std_free_energy": -3.862982749938965,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(C)[C@@H]1CN(C(C)=O)[C@H](C(=O)OC)[C@@H]1CC(=O)[O-]",
        "std_free_energy": -8.534721374511719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]