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)CCOc1ccc(OCC[N+](C)(CC)CC)c2c1C(=O)c1ccccc1C2=O ZINC000004783346 523632679 /nfs/dbraw/zinc/63/26/79/523632679.db2.gz DMUZHERTNVKXQP-UHFFFAOYSA-N 2 0 468.638 4.192 40 10 JICBRP