[
  {
    "molid": "mol37141",
    "smiles": "O=P(O)(O)C(F)c1cccc(C(F)P(=O)(O)O)c1",
    "microspecies": [
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "O=P([O-])([O-])[C@H](F)c1cccc([C@@H](F)P(=O)([O-])O)c1",
        "std_free_energy": -14.151515007019043,
        "relative_population": 0.9999849728299947
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])(O)[C@H](F)c1cccc([C@@H](F)P(=O)([O-])O)c1",
        "std_free_energy": -13.629563331604004,
        "relative_population": 0.9210977328120453
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=P([O-])([O-])[C@H](F)c1cccc([C@@H](F)P(=O)(O)O)c1",
        "std_free_energy": -11.165867805480957,
        "relative_population": 0.07840366082607397
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.01000022888184,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.36999988555908,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]