[
  {
    "molid": "mol32620",
    "smiles": "Cc1ccc2c(c1)ncn2C1OCC(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -7.1123738288879395,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1[OH2+]",
        "std_free_energy": 0.06869082897901535,
        "relative_population": 0.13052086425920192
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H]([OH2+])[C@H](O)[C@H]1O",
        "std_free_energy": 0.9187214374542236,
        "relative_population": 0.055784858799636135
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H](O)[C@H]([OH2+])[C@H]1O",
        "std_free_energy": 0.48188942670822144,
        "relative_population": 0.08634358365990703
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)[nH+]cn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -1.6491848230361938,
        "relative_population": 0.7273506932812549
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1700001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]