[
  {
    "molid": "mol11628",
    "smiles": "CN(C)C12CCC(C(=O)O)(CC1)CC2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)[C@]12CC[C@](C(=O)[O-])(CC1)CC2",
        "std_free_energy": -11.357172012329102,
        "relative_population": 0.9999711763293627
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)[C@]12CC[C@](C(=O)O)(CC1)CC2",
        "std_free_energy": -6.769309997558594,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.083,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]