[
  {
    "molid": "mol9521",
    "smiles": "O=P(O)(O)CN(CCO)CCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P([O-])(O)C[NH+](CCO)CCO",
        "std_free_energy": -10.175285339355469,
        "relative_population": 0.9991052927302518
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])([O-])C[NH+](CCO)CCO",
        "std_free_energy": -13.384016990661621,
        "relative_population": 0.9544878558148575
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])CN(CCO)CCO",
        "std_free_energy": -7.90725040435791,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.46,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]