[
  {
    "molid": "mol37165",
    "smiles": "O=P(O)(O)Cc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)Cc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1CP(=O)(O)O",
        "std_free_energy": -7.376548767089844,
        "relative_population": 0.9896842979474184
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=P([O-])(O)Cc1cc(CP(=O)([O-])O)c(CP(=O)(O)O)cc1CP(=O)(O)O",
        "std_free_energy": -10.324403762817383,
        "relative_population": 0.2885311247801063
      },
      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "O=P([O-])(O)Cc1cc(CP(=O)(O)O)c(CP(=O)([O-])O)cc1CP(=O)(O)O",
        "std_free_energy": -10.385004997253418,
        "relative_population": 0.3065571504263323
      },
      {
        "id": "-2_10",
        "charge": -2,
        "smiles": "O=P([O-])(O)Cc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1CP(=O)([O-])O",
        "std_free_energy": -10.551870346069336,
        "relative_population": 0.3622264425737962
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]