[
  {
    "molid": "mol28910",
    "smiles": "C[Si](C)(C)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[Si](C)(C)CP(=O)(O)O",
        "std_free_energy": -1.283066987991333,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[Si](C)(C)CP(=O)([O-])O",
        "std_free_energy": -11.912692070007324,
        "relative_population": 0.9999997129601259
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[Si](C)(C)CP(=O)([O-])[O-]",
        "std_free_energy": -10.097467422485352,
        "relative_population": 0.9999992287430453
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.22000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]