[
  {
    "molid": "mol29477",
    "smiles": "CC(=O)NC(Cc1c(F)c(F)c(O)c(F)c1F)C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N[C@H](Cc1c(F)c(F)c(O)c(F)c1F)C(N)=O",
        "std_free_energy": -4.429166793823242,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N[C@H](Cc1c(F)c(F)c([O-])c(F)c1F)C(N)=O",
        "std_free_energy": -4.197055339813232,
        "relative_population": 0.9867726276119204
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]