[
  {
    "molid": "mol17196",
    "smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21",
        "std_free_energy": -5.297473907470703,
        "relative_population": 0.9921208978284851
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)[O-])c(=O)c2ccc(C(F)(F)F)cc21",
        "std_free_energy": -6.565993309020996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.599,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]