[
  {
    "molid": "mol17198",
    "smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21",
        "std_free_energy": -4.8823089599609375,
        "relative_population": 0.9963699946799098
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)[O-])c(=O)c2cc(Cl)cc(Cl)c21",
        "std_free_energy": -6.623476982116699,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]