[
  {
    "molid": "mol29028",
    "smiles": "O=C[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -1.397526741027832,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C[C@H](O)[C@@H](OP(=O)([O-])O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -11.1246976852417,
        "relative_population": 0.9996000563115466
      },
      {
        "id": "-2_8",
        "charge": -2,
        "smiles": "O=C[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@H](O)CO",
        "std_free_energy": -10.645549774169922,
        "relative_population": 0.9997831894227075
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.839999973773956,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 0.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.67,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]