smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc([O-])c(F)c1Cl 299890251 351893513 /nfs/dbraw/zinc/89/35/13/351893513.db2.gz WPMADSINXSHRSI-UHFFFAOYSA-N -1 0 191.545 2.093 30 5 AEBCRM