amoxicillin
oxacillin
amikacin
rifampicin
garbage
pseudomonic acid

>>> src/get_chembl_ids compounds.txt > compounds.tsv
Found no exact match for "garbage", trying a search
Found no match for "garbage", skipping
Found no exact match for "pseudomonic acid", trying a search

>>> src/get_target_ids compounds.tsv --organism "Escherichia coli"
chembl  target
CHEMBL1082      Q8GDC1
CHEMBL1082      P00959
CHEMBL1082      P62593
CHEMBL1082      P00811
CHEMBL1082      P0AD63
CHEMBL1082      A5HJU3
CHEMBL1082      Q5U7L7
CHEMBL177       P0A9A6
CHEMBL374478    P0A8V2 

>>> src/get_similar_molecules compounds.tsv --similarity 99
query   target
CHEMBL177       CHEMBL3637935
CHEMBL177       CHEMBL3348834
CHEMBL177       CHEMBL1625316
CHEMBL177       CHEMBL1625035
CHEMBL1082      CHEMBL1433952
CHEMBL1082      CHEMBL1367635
CHEMBL1082      CHEMBL1473908
CHEMBL1082      CHEMBL174
CHEMBL819       CHEMBL3558540

Copyright (C) <2017> EMBL-European Bioinformatics Institute

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