[
  {
    "molid": "mol31903",
    "smiles": "NC12C3C4C5C3C1C5C42",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@]12[C@H]3[C@@H]4C5[C@H]3[C@H]1[C@@H]5[C@@H]42",
        "std_free_energy": -4.5768327713012695,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@]12[C@H]3[C@@H]4C5[C@H]3[C@H]1[C@@H]5[C@@H]42",
        "std_free_energy": -0.9802113771438599,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.65999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]