smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S ZINC000005756701 204149872 /nfs/dbraw/zinc/14/98/72/204149872.db2.gz DCSBLBZQAFFVLU-UXBLZVDNSA-N -2 1 388.264 2.831 10 10 GFCEML O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000033539520 206257567 /nfs/dbraw/zinc/25/75/67/206257567.db2.gz RXCGAPIRQRIVDO-VGOFMYFVSA-N -2 1 384.369 2.667 10 10 GFCEML