smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(C)c(CC(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)c(=O)[n-]1 ZINC000218081844 522201334 /nfs/dbraw/zinc/20/13/34/522201334.db2.gz BULHEUFEYYFJNU-UHFFFAOYSA-N -2 3 371.441 1.393 50 70 FDIAHL