smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(SCC[NH+](C)C)s3)[nH]c2=O)cc1 ZINC000026576872 563033812 /nfs/dbraw/zinc/03/38/12/563033812.db2.gz YKNWTTHWRGEQLE-SXQSXHJWSA-N 1 2 442.610 1.502 1 10 IDCFLO