[
  {
    "molid": "mol34127",
    "smiles": "O=P(O)(O)Cc1ccncc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=P([O-])(O)Cc1cc[nH+]cc1",
        "std_free_energy": -7.801810264587402,
        "relative_population": 0.9966606316961172
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=P(O)(O)Cc1cc[nH+]cc1",
        "std_free_energy": 2.635965347290039,
        "relative_population": 0.6337457985154885
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OP(O)(=[OH+])Cc1ccncc1",
        "std_free_energy": 3.1842856407165527,
        "relative_population": 0.36625420148451154
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.13999998569489,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]