[
  {
    "molid": "mol9520",
    "smiles": "CCN(CC)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH+](CC)CP(=O)([O-])O",
        "std_free_energy": -10.902341842651367,
        "relative_population": 0.9999815897644446
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[NH+](CC)CP(=O)([O-])[O-]",
        "std_free_energy": -13.744502067565918,
        "relative_population": 0.9984278514234892
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCN(CC)CP(=O)([O-])[O-]",
        "std_free_energy": -4.937241554260254,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.32,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]