smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(/C=C/C=O)c1[O-] 216763673 168759919 /nfs/dbraw/zinc/75/99/19/168759919.db2.gz SWBRYCAOTNQYJB-NSCUHMNNSA-N -1 3 196.633 2.566 40 50 AFGBHM