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)c1ccc(CSc2nccs2)cc1 ZINC000919675741 642373811 /nfs/dbraw/zinc/37/38/11/642373811.db2.gz ZTZMQFGHAITDKU-UHFFFAOYSA-N 0 0 249.404 4.559 20 10 BJCDRN