smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c([n-]c(=O)cc2C(F)(F)Cl)n(-c2ccccc2)c1=S ZINC000217014899 241229935 /nfs/dbraw/zinc/22/99/35/241229935.db2.gz BQDDIZHWRVKMDC-UHFFFAOYSA-N -1 3 341.770 3.675 10 70 EHIEHM