smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O/N=C1\c2ncncc2-c2cc(Br)cc(Br)c21)C(=O)NCCN(C)C ZINC000004212188 562932649 /nfs/dbraw/zinc/93/26/49/562932649.db2.gz KIGNRDGJGXIHCH-GYZHTSTMSA-N 0 3 497.191 2.817 10 30 in-man JFEEHN