[
  {
    "molid": "mol35591",
    "smiles": "Cc1ccc(OP(=O)(NN)N(CCCl)CCCl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O[P@@](=O)(NN)N(CCCl)CCCl)cc1",
        "std_free_energy": -6.19521427154541,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(O[P@@](=O)([N-]N)N(CCCl)CCCl)cc1",
        "std_free_energy": 3.1252923011779785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7700004577637,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]