smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=O)c([O-])c(Br)c1C ZINC000004290758 177951532 /nfs/dbraw/zinc/95/15/32/177951532.db2.gz DVPXMTLVGIGHEO-UHFFFAOYSA-N -1 1 229.073 2.584 30 0 BFACMM