[
  {
    "molid": "mol29046",
    "smiles": "CC(CC(C)(C)C)CP(=O)(O)CC(C)CC(C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CC(C)(C)C)C[P@](=O)(O)C[C@@H](C)CC(C)(C)C",
        "std_free_energy": -2.7820804119110107,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](CC(C)(C)C)C[P@](=O)([O-])C[C@@H](C)CC(C)(C)C",
        "std_free_energy": -9.959124565124512,
        "relative_population": 0.9999999564391373
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]