smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)CC1 ZINC000216833369 569879713 /nfs/dbraw/zinc/87/97/13/569879713.db2.gz ZLZXYXSFRYYOJP-UHFFFAOYSA-N -1 3 482.400 2.839 40 70 JFIBHM