smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCSC(=O)CCCCCCCCC(=O)SCC[N+](C)(C)C ZINC000004310772 568960749 /nfs/dbraw/zinc/96/07/49/568960749.db2.gz ZGTFTBOMOQTQJP-UHFFFAOYSA-N 2 0 406.702 4.039 50 5 HIBARP