smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(Nc3cc[nH+]c4cc5ccccc5cc34)cc2)CC1 ZINC000000758710 521699963 /nfs/dbraw/zinc/69/99/63/521699963.db2.gz FGVVQTVRBTWGJA-UHFFFAOYSA-N 2 1 382.511 5.274 50 5 biogenic GKBAMP