[
  {
    "molid": "mol17195",
    "smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(F)ccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)ccc21",
        "std_free_energy": -5.495357990264893,
        "relative_population": 0.993803295531056
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)[O-])c(=O)c2cc(F)ccc21",
        "std_free_energy": -6.309760093688965,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.179,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]