smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000830557280 600983653 /nfs/dbraw/zinc/98/36/53/600983653.db2.gz SOLRJJXKBAOXKW-UHFFFAOYSA-N -1 2 398.357 -0.227 20 5 GBBDLM O=C([O-])Cn1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000833277588 600988833 /nfs/dbraw/zinc/98/88/33/600988833.db2.gz UTISVZOYPGJDEM-UHFFFAOYSA-N -1 2 385.314 -0.157 20 5 GBBDLM