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)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CBr)cc1 ZINC000027872291 717115109 /nfs/dbraw/zinc/11/51/09/717115109.db2.gz LWRRWOMYUZEBHB-UHFFFAOYSA-O 0 0 393.283 1.371 1 50 GDGFRN