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curl ftp://ftp.ncbi.nlm.nih.gov/pubchem/Compound/Weekly/2020-01-05/Extras/CID-SMILES.gz | \ | |
gunzip -c | \ | |
head -n 10000000 | \ | |
awk '{print $2 " " $1}' > pubchem_first10m.smi |
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