smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCc1ccc(S)cc1 ZINC000001679167 346463346 /nfs/dbraw/zinc/46/33/46/346463346.db2.gz FZXZNIDUTACSLM-UHFFFAOYSA-N 0 2 236.424 5.268 40 30 BKEBLN