[
  {
    "molid": "SM30",
    "smiles": "O=S(=O)(NC1(CCc2ccccc2)COC1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(NC1(CCc2ccccc2)COC1)c1ccccc1",
        "std_free_energy": -6.726957321166992,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([N-]C1(CCc2ccccc2)COC1)c1ccccc1",
        "std_free_energy": 1.5295464992523193,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL7"
      }
    ]
  }
]