[
  {
    "molid": "mol29316",
    "smiles": "C=CC(NC(C)=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C[C@H](NC(C)=O)C(=O)O",
        "std_free_energy": -2.6906862258911133,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C[C@H](NC(C)=O)C(=O)[O-]",
        "std_free_energy": -10.749167442321777,
        "relative_population": 0.9999929987980867
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]