smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000006935842 181407759 /nfs/dbraw/zinc/40/77/59/181407759.db2.gz GTJITPKPHNVSGO-FCEWJHQRSA-N 0 2 309.384 5.051 10 10 DKCELN