[
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    "molid": "mol31998",
    "smiles": "Oc1nc2c(O)ccc(CCNCCCCCCNCC(F)(F)c3ccccc3)c2s1",
    "microspecies": [
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        "smiles": "[O-]c1nc2c(O)ccc(CC[NH2+]CCCCCCNCC(F)(F)c3ccccc3)c2s1",
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        "smiles": "Oc1nc2c(O)ccc(CCNCCCCCC[NH2+]CC(F)(F)c3ccccc3)c2s1",
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        "id": "1_7",
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        "smiles": "Oc1nc2c(O)ccc(CC[NH2+]CCCCCCNCC(F)(F)c3ccccc3)c2s1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]