[
  {
    "molid": "mol30076",
    "smiles": "Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1",
        "std_free_energy": -7.117021560668945,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)[N-]C(=O)NC3CCCCC3)cc2)cn1",
        "std_free_energy": -10.471963882446289,
        "relative_population": 0.9999899964221965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]