smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COCP(=O)([O-])[O-])O2)c(=O)[nH]c1=O ZINC000022199196 211339014 /nfs/dbraw/zinc/33/90/14/211339014.db2.gz NOEYTKCEXDEMEO-IWSPIJDZSA-N -2 1 361.251 -0.037 1 10 FBCFML