[
  {
    "molid": "mol34718",
    "smiles": "CC(=O)NC(C(=O)O)c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N[C@@H](C(=O)O)c1ccc(F)cc1",
        "std_free_energy": -2.853875160217285,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)N[C@@H](C(O)=[OH+])c1ccc(F)cc1",
        "std_free_energy": 12.208693504333496,
        "relative_population": 0.11950062808804113
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=[OH+])N[C@@H](C(=O)O)c1ccc(F)cc1",
        "std_free_energy": 10.211525917053223,
        "relative_population": 0.8804993719119588
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]