[
  {
    "molid": "mol26123",
    "smiles": "CN(C)S(=O)(=O)c1cccc2cccnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)S(=O)(=O)c1cccc2cccnc12",
        "std_free_energy": -6.9685540199279785,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)S(=O)(=O)c1cccc2cccnc12",
        "std_free_energy": 3.9615328311920166,
        "relative_population": 0.30940632163968645
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)S(=O)(=O)c1cccc2ccc[nH+]c12",
        "std_free_energy": 3.1586365699768066,
        "relative_population": 0.6905936783603135
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]