[
  {
    "molid": "mol33165",
    "smiles": "CCC(C)N(CC(C)O)CC(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C)N(C[C@H](C)O)C[C@H](C)O",
        "std_free_energy": -3.0409343242645264,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H](C)[NH+](C[C@H](C)O)C[C@H](C)O",
        "std_free_energy": -9.180893898010254,
        "relative_population": 0.9994625065698771
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]