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)CCOC(=O)CCSCCC(=O)OCC[N+](C)(C)C ZINC000004837353 210569830 /nfs/dbraw/zinc/56/98/30/210569830.db2.gz SXBGREIQCOEAAR-UHFFFAOYSA-N 2 0 350.525 0.999 50 5 FCBARP