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false
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C2H3N3O
|
C2H3N3O
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A3B3C2D
|
[
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[
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[
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data/MD/4048/MD_1326505941519380428594048.json
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{"basis-set": "6-31G(d)", "hash": "13265059415193804285940486986601840844167690830119652120650823267020981355326059468241401111637652389167693306665581583981856242021428872146855715896629420", "id": "MD_1326505941519380428594048"}
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DS_sn0csplf32qj_0
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ORCA 5.0.2
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DFT-wb97x
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C2H3N3
|
C2H3N3
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A3B3C2
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[
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[
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[
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data/MD/4048/MD_1326505941519380428594048.json
| null | null | null |
{"basis-set": "6-31G(d)", "hash": "13265059415193804285940486986601840844167690830119652120650823267020981355326059468241401111637652389167693306665581583981856242021428872146855715896629420", "id": "MD_1326505941519380428594048"}
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PO_1003503232394841784752484
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| 2025-04-16T18:47:00
|
DS_sn0csplf32qj_0
| 1
|
ORCA 5.0.2
|
DFT-wb97x
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[] | null | null | null | null | null | null | 1.664922
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C2H3N3O
|
C2H3N3O
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A3B3C2D
|
[
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[
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[
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data/MD/4048/MD_1326505941519380428594048.json
| null | null | null |
{"basis-set": "6-31G(d)", "hash": "13265059415193804285940486986601840844167690830119652120650823267020981355326059468241401111637652389167693306665581583981856242021428872146855715896629420", "id": "MD_1326505941519380428594048"}
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