smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2oc(=O)c(-c3ccccc3[S-])c(-c3ccc([O-])cc3)c2c1 ZINC000071405001 221346818 /nfs/dbraw/zinc/34/68/18/221346818.db2.gz IJUKKLIGEXYBBV-UHFFFAOYSA-N -2 3 360.434 5.187 40 10 FKCBHL