[
  {
    "molid": "mol35315",
    "smiles": "C/C(OP(=O)(O)O)=C1\\C=CC=CC1=[N+]([O-])O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C/C(OP(=O)([O-])O)=C1\\C=CC=CC1=[N+]([O-])O",
        "std_free_energy": -11.71008014678955,
        "relative_population": 0.9999765420362704
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/C(OP(=O)([O-])O)=C1\\C=CC=CC1=[N+]([O-])[O-]",
        "std_free_energy": -12.348068237304688,
        "relative_population": 0.6906240910216297
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "C/C(OP(=O)([O-])[O-])=C1\\C=CC=CC1=[N+]([O-])O",
        "std_free_energy": -11.545029640197754,
        "relative_population": 0.30937590897837014
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.83999991416931,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]