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)c2ccccc2[N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000003129776 552292071 /nfs/dbraw/zinc/29/20/71/552292071.db2.gz ZZBSJMUWMXICSD-UHFFFAOYSA-N -1 2 506.518 3.721 10 10 KHCELM