smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(N)c(C(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)c(=O)n(C)c1=O ZINC000102919136 555144815 /nfs/dbraw/zinc/14/48/15/555144815.db2.gz XYONMWTZUKXUOE-UHFFFAOYSA-N 0 1 533.475 0.121 50 5 KCBAMN