[
  {
    "molid": "mol32612",
    "smiles": "CCC1(O)CC(C)NC2CCCCC21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@]1(O)C[C@@H](C)N[C@H]2CCCC[C@@H]21",
        "std_free_energy": -1.316770315170288,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[C@]1(O)C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]21",
        "std_free_energy": -9.226186752319336,
        "relative_population": 0.9981364699840022
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.023334,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]