[
  {
    "molid": "mol32335",
    "smiles": "CC1NC(CCCCCCCC(=O)O)CCC1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]1[NH2+][C@@H](CCCCCCCC(=O)[O-])CC[C@@H]1O",
        "std_free_energy": -11.118086814880371,
        "relative_population": 0.9999592684505894
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H]1[NH2+][C@@H](CCCCCCCC(=O)O)CC[C@@H]1O",
        "std_free_energy": -6.4673686027526855,
        "relative_population": 0.9797714038754628
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1N[C@@H](CCCCCCCC(=O)[O-])CC[C@@H]1O",
        "std_free_energy": -2.2898168563842773,
        "relative_population": 0.9995040108658862
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]