smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)nc(C)n1 ZINC000104090657 559157803 /nfs/dbraw/zinc/15/78/03/559157803.db2.gz JEUWXUVCLNYZIZ-FCQUAONHSA-N -2 2 416.423 2.093 40 10 HECBLL