smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[SiH](C(C)C)C(C)C ZINC000170172050 168654982 /nfs/dbraw/zinc/65/49/82/168654982.db2.gz AELQFRLRNCJZQE-UHFFFAOYSA-N 0 0 228.496 5.394 50 70 BKIARN