smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1ccc2ccc3cccc4ccc1c2c34 ZINC000079132111 384485563 /nfs/dbraw/zinc/48/55/63/384485563.db2.gz ZLJXXSDJRKUBQX-UHFFFAOYSA-N -1 0 234.323 4.873 40 5 BJBBRM