smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(NCCO)NCC(F)(F)F ZINC000160657800 387448671 /nfs/dbraw/zinc/44/86/71/387448671.db2.gz JPIDLSWAKLRIRE-UHFFFAOYSA-N 0 2 222.188 -1.035 20 70 BAIDLN