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[
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C10H8S2
|
C5H4S
|
A5B4C
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[
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[
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| 3
| 0
|
[
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[
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"xxMD-CASSCF_dithiophene_train_state1_12170",
"xxMD-CASSCF_dithiophene_train_state0_12170",
"xxMD-DFT_dithiophene_train_12170"
] | null |
data/MD/6824/MD_7818358640943527974746824.json
| null | null | null |
{"basis-set": "6-31g", "hash": "7818358640943527974746824931004994267676097579572895711517924332456265853833149978407537042355021055785074519832252837149792691338967266241820231054880448", "id": "MD_7818358640943527974746824"}
|
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