smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cc1 ZINC000514403635 1066453578 /nfs/dbraw/zinc/45/35/78/1066453578.db2.gz WJGKPVQBJVUIPG-UHFFFAOYSA-N 1 1 520.552 4.573 20 5 KJBDMO