Mercurial > repos > bgruening > ctb_im_constrained_conf_gen
directory /test-data/ @ 0:9c5121dd2fd4 draft
| name | size | permissions |
|---|---|---|
| [up] | drwxr-xr-x | |
 Kinase_inhibs.sdf
|
70460 | -rw-r--r-- |
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XChemReactionMaker1.sdf
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209652 | -rw-r--r-- |
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cluster_butina_matrix_output1.tsv
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3853 | -rw-r--r-- |
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cluster_butina_output1.sdf
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102904 | -rw-r--r-- |
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constrained_conf_gen_output1.sdf
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400005 | -rw-r--r-- |
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dhfr_3d.sdf
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2501648 | -rw-r--r-- |
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hits-17.sdf
|
21921 | -rw-r--r-- |
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pbf_ev_output1.sdf
|
107645 | -rw-r--r-- |
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poses.sdf
|
34037 | -rw-r--r-- |
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pyrimethamine.mol
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2301 | -rw-r--r-- |
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ref_mol.sdf
|
1690 | -rw-r--r-- |
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rxn_maker_output1.sdf
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2910582 | -rw-r--r-- |
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screen_output1.sdf
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45352 | -rw-r--r-- |
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screen_output2.sdf
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66114 | -rw-r--r-- |
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sdf-aliphatic-primary-amines-175.sdf
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1324577 | -rw-r--r-- |
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standardize_output1.sdf
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102091 | -rw-r--r-- |
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standardize_output2.sdf
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102091 | -rw-r--r-- |
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sulfonyl_chloride.sdf
|
1070 | -rw-r--r-- |