[
  {
    "molid": "mol21826",
    "smiles": "CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN(CC)C[C@H]1CO[C@]2(CC[C@H](C(C)(C)C)CC2)O1",
        "std_free_energy": -3.023751735687256,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+](CC)C[C@H]1CO[C@]2(CC[C@H](C(C)(C)C)CC2)O1",
        "std_free_energy": -8.094684600830078,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]