Mercurial > repos > bgruening > ctb_im_conformers

annotate test-data/sulfonyl_chloride.sdf @ 1:8b94af89278d draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit d1d0ec4ebc97b2274b18a0aab99f41addd5357ae"
author bgruening
date Mon, 27 Jul 2020 15:28:53 +0000
parents 6aa5680d30e2
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
1
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
2 RDKit
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
3
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
4 12 12 0 0 0 0 0 0 0 0999 V2000
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
5 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
7 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
8 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
9 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
12 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
13 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
14 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
15 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
16 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
17 1 2 3 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
18 2 3 1 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
19 3 4 2 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
20 4 5 1 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
21 5 6 2 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
22 6 7 1 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
23 7 8 2 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
24 8 9 1 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
25 9 10 2 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
26 9 11 2 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
27 9 12 1 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
28 8 3 1 0
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
29 M END
6aa5680d30e2 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff changeset
30 $$$$