Mercurial > repos > bgruening > ctb_im_conformers
annotate test-data/sulfonyl_chloride.sdf @ 1:a4b1474efada draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit d1d0ec4ebc97b2274b18a0aab99f41addd5357ae"
author | bgruening |
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date | Mon, 27 Jul 2020 11:37:32 -0400 |
parents | b6cdd73f0c14 |
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rev | line source |
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b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
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1 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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2 RDKit |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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3 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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4 12 12 0 0 0 0 0 0 0 0999 V2000 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
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5 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
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6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
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7 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
changeset
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8 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
changeset
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9 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
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10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
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11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
changeset
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12 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
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13 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
changeset
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14 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
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15 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
parents:
diff
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16 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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17 1 2 3 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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18 2 3 1 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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19 3 4 2 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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20 4 5 1 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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21 5 6 2 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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22 6 7 1 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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23 7 8 2 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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24 8 9 1 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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25 9 10 2 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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26 9 11 2 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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27 9 12 1 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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28 8 3 1 0 |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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29 M END |
b6cdd73f0c14
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
bgruening
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30 $$$$ |