smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C(=O)Nc1ccc(Br)cn1)=C([O-])C1CC1 ZINC000038958782 581100497 /nfs/dbraw/zinc/10/04/97/581100497.db2.gz XJGRCOKNYUHRIO-LUAWRHEFSA-N -1 1 308.135 2.528 1 50 DFGFMM