[
  {
    "molid": "mol9826",
    "smiles": "O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O",
        "std_free_energy": -1.8780134916305542,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O",
        "std_free_energy": -11.107569694519043,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]",
        "std_free_energy": -11.130672454833984,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.97000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 0.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.84,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.11,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]