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view test-data/sample_output.smi @ 0:a0e07a0bc047 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/rem_complex commit 833f7671d1e1b713d52ba5c7e59d28be38b92b1e
author recetox
date Mon, 27 Nov 2023 09:04:04 +0000
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C[C@@]1(CO)C[C@@H]1C#Cc1ccccc1	
C=C(C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12	
Cc1ccc(SCCNCC(=O)O)cc1	
COc1ccc(NC2=NC(C)(CO)CS2)cc1	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C(=NN1c1ccccc1)C(F)(F)F	
CC1=CC[C@@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12	
COc1ccc(CCN(CC(=O)O)P(=O)(OC(C)C)OC(C)C)cc1	
CC[C@]12CCCN([C@@H](C)c3ccccc3)[C@H]1CC(=O)CC2	
CC(=O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(=O)C)C[C@@]1(C)OC(=O)C	
C=C(C(=O)C)[C@@]1(C(C)(C)C)C=C[C@H](C)O1	
C[C@@H]1[C@@H](OCc2ccccc2)C[C@H]2O[C@@H]1CC2=O