[
  {
    "molid": "mol26127",
    "smiles": "CN(C)S(=O)(=O)c1ccnc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)S(=O)(=O)c1ccnc2ccccc12",
        "std_free_energy": -6.590300559997559,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)S(=O)(=O)c1cc[nH+]c2ccccc12",
        "std_free_energy": 1.3889319896697998,
        "relative_population": 0.4371637491828682
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)S(=O)(=O)c1ccnc2ccccc12",
        "std_free_energy": 1.1362510919570923,
        "relative_population": 0.5628362508171317
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]