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)CCc1c(O)nc(C(F)(F)F)[n-]c1=O ZINC000217598572 351949342 /nfs/dbraw/zinc/94/93/42/351949342.db2.gz IJVYJJBNJAQIEH-UHFFFAOYSA-N -1 1 279.218 0.927 40 70 CCIBMM