[
  {
    "molid": "mol19239",
    "smiles": "NCCCCCNOC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C1CCCC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CCCCCNOC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C1CCCC1",
        "std_free_energy": -10.731575012207031,
        "relative_population": 0.8581489607825574
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "NCCCCCNOC(=O)CN(C(=O)[C@@H](CC1CCCCC1)[NH2+]CC(=O)[O-])C1CCCC1",
        "std_free_energy": -8.92842960357666,
        "relative_population": 0.14140559054215224
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NCCCCCNOC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-])C1CCCC1",
        "std_free_energy": -3.460488796234131,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]