[
  {
    "molid": "mol28949",
    "smiles": "O=P(O)(O)Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)Cc1ccccc1O",
        "std_free_energy": -2.4106669425964355,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])Cc1ccccc1[O-]",
        "std_free_energy": 0.7464225888252258,
        "relative_population": 0.9913988142674
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)Cc1ccccc1O",
        "std_free_energy": -12.046524047851562,
        "relative_population": 0.999976855523709
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])([O-])Cc1ccccc1O",
        "std_free_energy": -12.352262496948242,
        "relative_population": 0.9999896472027868
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.45,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.17,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]