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name changed and data folder added

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This commit is contained in:
zinph
2020-01-21 21:39:52 -05:00
parent 79be6fda23
commit 4784da6f77
4 changed files with 28 additions and 11 deletions
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13
Data/selected_extenders.txt Normal file
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[*R*]C[*R*]
[*R*][C@@H](C)[*R*]
[*R*][C@@H](CC)[*R*]
[*R*][C@@H](O)[*R*]
[*R*][C@@H](OC)[*R*]
[*R*][C@@](O)(C)[*R*]
[*R*][C@@](OC)(C)[*R*]
[*R*][C@@H](CC=O)[*R*]
[*R*]C(=O)[*R*]
[*R*][C@](C)(F)[*R*]
[*R*][C@@H](OC(=O)C)[*R*]
[*R*][C@@]2(OC2)[*R*]
[*R*][N@@](C)[*R*]

7
Data/sugars Normal file
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[*R*][C@H](O[C@H]9C[C@@](C)(OC)[C@@H](O)[C@H](C)O9)[*R*]
[*R*][C@H](O[C@@H]9O[C@H](C)C[C@@H]([C@H]9O)N(C)C)[*R*]
[*R*][C@H](O[C@@H]9O[C@H](C)C[C@@H]([C@H]9OC(C)=O)N(C)C)[*R*]
[*R*][C@H](O[C@H]9C[C@H](OC)O[C@@H](C)[C@@H]9OC(C)=O)[*R*]
[*R*][C@H](O[C@H]9C[C@H](OC)[C@@H](O)[C@H](C)O9)[*R*]
[*R*][C@H](O[C@H]9C[C@@H](O)[C@H](O)[C@@H](C)O9)[*R*]
[*R*][C@H](O[C@@H]9O[C@H](C)C[C@H](NC)[C@H]9O)[*R*]