Mercurial > repos > bgruening > openbabel
directory /modify/test-data/ @ 1:b52872a1755a draft
| name | size | permissions |
|---|---|---|
| [up] | drwxr-xr-x | |
 CID_2244.can
|
27 | -rw-r--r-- |
|
CID_2244.inchi
|
69 | -rw-r--r-- |
|
CID_2244.sdf
|
3585 | -rw-r--r-- |
|
CID_2244.smi
|
31 | -rw-r--r-- |
|
CID_2244_FP2.fps
|
378 | -rw-r--r-- |
|
CID_2244_FP3.fps
|
134 | -rw-r--r-- |
|
CID_2244_FP4.fps
|
199 | -rw-r--r-- |
|
CID_2244_addh.can
|
30 | -rw-r--r-- |
|
CID_2244_maccs.fps
|
165 | -rw-r--r-- |
|
CID_3033.sdf
|
5622 | -rw-r--r-- |
|
change_title_on_CID_3033.sdf
|
5644 | -rw-r--r-- |
|
ob_genprop_on_CID2244.sdf
|
4424 | -rw-r--r-- |
|
ob_genprop_on_CID2244.tabular
|
729 | -rw-r--r-- |