[
  {
    "molid": "mol35153",
    "smiles": "CCC1(C(C)c2ccccc2)C(=O)NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC1([C@H](C)c2ccccc2)C(=O)NC(=O)NC1=[OH+]",
        "std_free_energy": 13.129579544067383,
        "relative_population": 0.9908152582629395
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCC1([C@H](C)c2ccccc2)C(=[OH+])NC(=O)NC1=[OH+]",
        "std_free_energy": 21.40485954284668,
        "relative_population": 0.499865055087505
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CCC1([C@H](C)c2ccccc2)C(=O)NC(=[OH+])NC1=[OH+]",
        "std_free_energy": 21.404319763183594,
        "relative_population": 0.5001349449124949
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.5200004577637,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]