smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCc1ccc(S)cc1 ZINC000040571356 351508823 /nfs/dbraw/zinc/50/88/23/351508823.db2.gz YZSLRTFZEUDLDQ-UHFFFAOYSA-N 0 1 180.316 3.564 40 0 AHABMN