smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NNC(=O)CCn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC000001614031 717088624 /nfs/dbraw/zinc/08/86/24/717088624.db2.gz YHXPSWBKEOKCIJ-UHFFFAOYSA-O 0 0 367.213 -0.913 40 50 FBGBRN