[
  {
    "molid": "mol13320",
    "smiles": "O=C(/C=N/O)NCCN1CCOCC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(/C=N/O)NCCN1CCOCC1",
        "std_free_energy": -6.908440589904785,
        "relative_population": 0.9907182130692187
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(/C=N/O)NCC[NH+]1CCOCC1",
        "std_free_energy": -6.290782451629639,
        "relative_population": 0.994478022946144
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]