Mercurial > repos > bgruening > sdf_to_tab
annotate test-data/mols.smi @ 6:4beb3e026bbb draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit c1d813d3f0fec60ea6efe8a11e59d98bfdc1636f"
author | bgruening |
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date | Sat, 04 Dec 2021 16:39:05 +0000 |
parents | 193389d3a5f0 |
children |
rev | line source |
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1
193389d3a5f0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06"
bgruening
parents:
diff
changeset
|
1 NCCCCC(N)C(=O)O lysine |
193389d3a5f0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06"
bgruening
parents:
diff
changeset
|
2 O=C(O)C(N)C alanine |
193389d3a5f0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06"
bgruening
parents:
diff
changeset
|
3 N[C@@H](CC1=CC=CC=C1)C(O)=O phenylanaline |