[
  {
    "molid": "mol21539",
    "smiles": "CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)OC)[N+](C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCC(=O)[N-]CCCC[C@@H](C(=O)OC)[N+](C)(C)C",
        "std_free_energy": 7.206615447998047,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)OC)[N+](C)(C)C",
        "std_free_energy": -5.797506332397461,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]