[
  {
    "molid": "mol37191",
    "smiles": "O=P(O)(O)c1ccccc1OCCOCCOCCOCCOCCOc1ccccc1P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)c1ccccc1OCCOCCOCCOCCOCCOc1ccccc1P(=O)(O)O",
        "std_free_energy": -0.11391127109527588,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1ccccc1OCCOCCOCCOCCOCCOc1ccccc1P(=O)(O)O",
        "std_free_energy": -8.938657760620117,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.05999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]