smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000005399857 170094951 /nfs/dbraw/zinc/09/49/51/170094951.db2.gz DLAFBBDQKOFJPO-UHFFFAOYSA-N 2 2 297.466 3.852 40 5 CHBBLP