[
  {
    "molid": "mol13333",
    "smiles": "CCCCCCCCNCCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCCC[NH2+]CCC(=O)[O-]",
        "std_free_energy": -12.084368705749512,
        "relative_population": 0.9999931062216143
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCC[NH2+]CCC(=O)O",
        "std_free_energy": -5.196557998657227,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCNCCC(=O)[O-]",
        "std_free_energy": -3.140781879425049,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.5599999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]