smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C#N)c(=O)n(C)c([O-])c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)c(C#N)c(=O)n(C)c1O ZINC000019144025 556332044 /nfs/dbraw/zinc/33/20/44/556332044.db2.gz KEOKIWSFLIULSF-UHFFFAOYSA-N -1 2 461.434 1.944 40 30 JDEBLM Cn1c([O-])c(C(c2ccc(C#N)cc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S ZINC000409096923 570126981 /nfs/dbraw/zinc/12/69/81/570126981.db2.gz LARVFZQAKJAIFP-UHFFFAOYSA-N -1 2 457.537 1.683 40 30 JDEBLM