smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1 ZINC000095471059 569723293 /nfs/dbraw/zinc/72/32/93/569723293.db2.gz XJGFHTYYKPEBBI-RGVLZGJSSA-N 0 2 474.539 0.708 10 10 JCCELN