smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCCCC ZINC000004311815 717097558 /nfs/dbraw/zinc/09/75/58/717097558.db2.gz NJGYKWVVSHWJLC-UHFFFAOYSA-N 2 0 378.736 5.681 50 50 GKGARP