[
  {
    "molid": "mol1231",
    "smiles": "CC(C)(C)N1CCCC(=O)[C@H](O)CCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)N1CCCC(=O)[C@H](O)CCC1",
        "std_free_energy": -4.928908348083496,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)[NH+]1CCCC(=O)[C@H](O)CCC1",
        "std_free_energy": -7.6167192459106445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]