Mercurial > repos > bgruening > sucos_docking_scoring

comparison test-data/split_1.sdf @ 0:f8f53668d5a2 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit ef86cfa5f7ab5043de420511211579d03df58645"
author bgruening
date Wed, 02 Oct 2019 12:58:43 -0400
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-1:000000000000 0:f8f53668d5a2
1
2 RDKit 3D
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45 $$$$
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47 RDKit 3D
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74 $$$$
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76 RDKit 3D
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78 11 12 0 0 0 0 0 0 0 0999 V2000
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103 $$$$
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105 RDKit 3D
106
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142 RDKit 3D
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177 RDKit 3D
178
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219 $$$$
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221 RDKit 3D
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268 M END
269 $$$$
270
271 RDKit 3D
272
273 20 21 0 0 0 0 0 0 0 0999 V2000
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316 $$$$
317
318 RDKit 3D
319
320 20 21 0 0 0 0 0 0 0 0999 V2000
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362 M END
363 $$$$
364
365 RDKit 3D
366
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388 M END
389 $$$$