[
  {
    "molid": "mol14533",
    "smiles": "COc1cc(C)nc(-n2nc(C)cc2O)n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COc1cc(C)[nH+]c(-n2nc(C)cc2[O-])n1",
        "std_free_energy": -3.7519755363464355,
        "relative_population": 0.07913482288337624
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "COc1cc(C)nc(-n2nc(C)cc2O)n1",
        "std_free_energy": -6.179624080657959,
        "relative_population": 0.8967719208948136
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(C)nc(-n2nc(C)cc2[O-])n1",
        "std_free_energy": -5.035150527954102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.9000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]