smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])C(F)(COC[C@@H](O)CO)[N+](=O)[O-] ZINC000019327933 182918998 /nfs/dbraw/zinc/91/89/98/182918998.db2.gz YPTBUFOESBNEOF-BYPYZUCNSA-N 0 0 228.132 -1.467 1 5 BABFRN