smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC[N+](C)(C)CCCl ZINC000100923845 717144078 /nfs/dbraw/zinc/14/40/78/717144078.db2.gz DVYXTRARHXPBDK-UHFFFAOYSA-N 1 0 333.024 6.783 40 50 EKGBRO CCCCCCCCCCCCCC[N+](C)(C)CCOCCCl ZINC000100925692 717144085 /nfs/dbraw/zinc/14/40/85/717144085.db2.gz WGLVKZGEDABZIY-UHFFFAOYSA-N 1 0 349.023 6.019 40 50 EKGBRO