smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc([N+](=O)[O-])cc1CN 72209635 169063995 /nfs/dbraw/zinc/06/39/95/169063995.db2.gz WOLRHVSTTPUWHW-UHFFFAOYSA-N 0 3 156.145 -0.213 50 5 ABBAHN O=[N+]([O-])c1n[nH]c(N2CCNCC2)n1 536954727 325670518 /nfs/dbraw/zinc/67/05/18/325670518.db2.gz YTUUAFZXEFKGLN-UHFFFAOYSA-N 0 3 198.186 -0.878 50 5 ABBAHN