smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c(N)nc(N)c1-c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000026501191 202143654 /nfs/dbraw/zinc/14/36/54/202143654.db2.gz JVKOZUZJGHNRLN-UHFFFAOYSA-N 2 0 331.380 1.539 40 5 EDBBRP