[
  {
    "molid": "mol35592",
    "smiles": "Cc1ccc(OP(=O)(NNS(=O)(=O)c2ccc(C)cc2)N(CCCl)CCCl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O[P@@](=O)(NNS(=O)(=O)c2ccc(C)cc2)N(CCCl)CCCl)cc1",
        "std_free_energy": -6.869324684143066,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(O[P@@](=O)(N[NH2+]S(=O)(=O)c2ccc(C)cc2)N(CCCl)CCCl)cc1",
        "std_free_energy": 4.662286281585693,
        "relative_population": 0.9918452363691657
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.15000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]