smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH][n-]c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000100789913 488494538 /nfs/dbraw/zinc/49/45/38/488494538.db2.gz BPVQLIWDRZKNJN-HOBGCTPMSA-N -1 2 365.400 0.798 40 10 FCCBLM