[
  {
    "molid": "mol35825",
    "smiles": "CCNCCOP(=O)(O)Oc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH2+]CCO[P@@](=O)([O-])Oc1ccccc1",
        "std_free_energy": -12.099895477294922,
        "relative_population": 0.9999926146758104
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCNCCO[P@@](=O)([O-])Oc1ccccc1",
        "std_free_energy": -6.798559665679932,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]