smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[NH2+]Cc1cc(O)c(C[NH2+]C(C)(C)C)cc1[O-] ZINC000001680953 371697460 /nfs/dbraw/zinc/69/74/60/371697460.db2.gz RPELVQLBGRIUKL-UHFFFAOYSA-N 1 3 280.412 2.874 40 10 CFCBHO