[
  {
    "molid": "mol38112",
    "smiles": "O=[N+]([O-])c1ccc(OP(=O)(O)OCCNCC(F)(F)F)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(O[P@](=O)([O-])OCC[NH2+]CC(F)(F)F)c(Cl)c1",
        "std_free_energy": -8.157768249511719,
        "relative_population": 0.9970724414811265
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(O[P@](=O)([O-])OCCNCC(F)(F)F)c(Cl)c1",
        "std_free_energy": -11.331048965454102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]