[
  {
    "molid": "mol14775",
    "smiles": "CCCCCCCCCCCCN(CCO)CC(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCN(CCO)C[C@@H](C)O",
        "std_free_energy": -7.198199272155762,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCC[NH+](CCO)C[C@@H](C)O",
        "std_free_energy": -7.359416484832764,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]