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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| q_GSH_ideal.sdf | 2025-08-08 14:15 | 2.5K | |
| q_GSH_ideal.mol2 | 2025-08-08 14:15 | 3.7K | |
| lserr | 2025-08-08 14:15 | 0 | |
| 3log | 2025-08-08 14:18 | 613 | |
| 0log | 2025-08-08 14:19 | 615 | |
| 1log | 2025-08-08 14:20 | 613 | |
| 2log | 2025-08-08 14:20 | 615 | |
| out.txt | 2025-08-08 14:20 | 356 | |
| mol2/ | 2025-08-08 14:20 | - | |
| q_GSH_ideal.mol | 2025-08-08 14:20 | 3.4K | |
| lbs_all_temp.log | 2025-08-08 14:21 | 48 | |
| out_all.txt | 2025-08-08 14:21 | 970 | |
| xlogp1.txt | 2025-08-08 14:21 | 501 | |
| xlogp2.txt | 2025-08-08 14:21 | 72 | |
| py_error | 2025-08-08 14:21 | 3.8K | |
| q_GSH_ideal.svg | 2025-08-08 14:21 | 5.1K | |
| T5S1649-super.mol2 | 2025-08-08 14:21 | 4.8K | |
| T8178-super.mol2 | 2025-08-08 14:21 | 3.3K | |
| T3672-super.mol2 | 2025-08-08 14:21 | 3.8K | |
| T5S1054-super.mol2 | 2025-08-08 14:21 | 6.1K | |
| T5165-super.mol2 | 2025-08-08 14:22 | 6.3K | |
| T5738-super.mol2 | 2025-08-08 14:22 | 6.3K | |
| T1085-super.mol2 | 2025-08-08 14:22 | 2.7K | |
| TJP2872-super.mol2 | 2025-08-08 14:22 | 3.4K | |
| T5798-super.mol2 | 2025-08-08 14:22 | 4.7K | |
| TN1166-super.mol2 | 2025-08-08 14:22 | 5.5K | |
| TN1417-super.mol2 | 2025-08-08 14:22 | 5.4K | |
| T3856-super.mol2 | 2025-08-08 14:22 | 5.4K | |
| TN1131-super.mol2 | 2025-08-08 14:23 | 4.2K | |
| T2S2046-super.mol2 | 2025-08-08 14:23 | 4.0K | |
| T5S0281-super.mol2 | 2025-08-08 14:23 | 6.8K | |
| T20089-super.mol2 | 2025-08-08 14:23 | 3.9K | |
| T2543-super.mol2 | 2025-08-08 14:23 | 6.2K | |
| T1034-super.mol2 | 2025-08-08 14:23 | 6.2K | |
| T4S1999-super.mol2 | 2025-08-08 14:23 | 3.0K | |
| T3674-super.mol2 | 2025-08-08 14:24 | 5.4K | |
| q_GSH_ideal-20250808114530.tar.gz | 2025-08-08 14:24 | 2.4K | |
| status.txt | 2025-08-08 14:24 | 4 | |
| err | 2025-08-08 14:24 | 323 | |
| log | 2025-08-08 14:24 | 54 | |
| py_log | 2025-08-08 14:24 | 29K | |