[
  {
    "molid": "mol2908",
    "smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1",
        "std_free_energy": -6.241324424743652,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)c[nH+]1",
        "std_free_energy": -1.6592108011245728,
        "relative_population": 0.7951986298787199
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(-c2[nH+]cc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1",
        "std_free_energy": -0.30265945196151733,
        "relative_population": 0.20480137012128005
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]