smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2sccc2c1O 59481473 343345103 /nfs/dbraw/zinc/34/51/03/343345103.db2.gz GVNRBPUZSYMYOM-UHFFFAOYSA-N 0 2 195.199 2.515 10 5 AFBELN