smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)[C@H](O)CNC(=O)/C(=N/[O-])Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\[O-] ZINC000150353484 562843306 /nfs/dbraw/zinc/84/33/06/562843306.db2.gz YBDUMXZBKBTNGS-JWAODPOQSA-N -2 2 956.233 7.000 10 30 KKEELL