[
  {
    "molid": "mol28896",
    "smiles": "CC(C)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CP(=O)(O)O",
        "std_free_energy": -1.4889590740203857,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CP(=O)([O-])O",
        "std_free_energy": -12.34045696258545,
        "relative_population": 0.999999929412759
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)CP(=O)([O-])[O-]",
        "std_free_energy": -11.482674598693848,
        "relative_population": 0.999999935663692
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.43,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.43000030517578,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]