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[
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[
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1,
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] | 17
| 4
| 0
|
[
0,
0,
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] |
[
"CHON_2984"
] | null |
data/MD/3233/MD_2603606962396995252223233.json
| null | null | null |
{"method_functional": "HYB_GGA_XC_B3LYP", "hash": "2603606962396995252223233721056331920148283036663714759082281407633048653260908427923877970298895596628211886349647056563628085348439042899413221234778918", "id": "MD_2603606962396995252223233"}
|
PO_4283633461819056951532098
|
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| 2025-04-16T20:27:55
|
DS_3td9plyix4ib_0
| 1
|
Gaussian
| null | -11,342.148536
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1184634517966097014061990
|
11846345179660970140619904562971474285888183383581810821903091778253759809149677273100421329846786557270171378208134162914923605694252728371308642328338803
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[
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[
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[
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[
false,
false,
false
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C6H6N2O
|
C6H6N2O
|
A6B6C2D
|
[
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"N",
"O"
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[
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6,
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7,
6,
1,
1,
1,
1,
1,
1
] | 15
| 4
| 0
|
[
0,
0,
0
] |
[
"CHON_4543"
] | null |
data/MD/3233/MD_2603606962396995252223233.json
| null | null | null |
{"method_functional": "HYB_GGA_XC_B3LYP", "hash": "2603606962396995252223233721056331920148283036663714759082281407633048653260908427923877970298895596628211886349647056563628085348439042899413221234778918", "id": "MD_2603606962396995252223233"}
|
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