[
  {
    "molid": "mol31662",
    "smiles": "NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.23,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.57,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.99,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.05,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "OCHEM"
      }
    ]
  }
]