[
  {
    "molid": "mol16656",
    "smiles": "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1",
        "std_free_energy": -6.449795246124268,
        "relative_population": 0.9999970047551281
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)N[O-])n1",
        "std_free_energy": -0.9876275062561035,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]