smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c(NN)nc(=NN)c1[N+](=O)[O-] 4086624 342986999 /nfs/dbraw/zinc/98/69/99/342986999.db2.gz UHICILMLGIYPAG-UHFFFAOYSA-N 0 3 199.174 -0.736 40 5 ABBBHN C[N+](C)(C)C[C@@H](N)CC(=O)[O-] 13437761 343034539 /nfs/dbraw/zinc/03/45/39/343034539.db2.gz DAWBGYHPBBDHMQ-LURJTMIESA-O 0 3 161.225 -0.505 40 5 ABBBHN C[N+](C)(C)C[C@H](N)CC(=O)[O-] 22048199 343078037 /nfs/dbraw/zinc/07/80/37/343078037.db2.gz DAWBGYHPBBDHMQ-ZCFIWIBFSA-O 0 3 161.225 -0.505 40 5 investigational ABBBHN O=[N+]([O-])C1C[C@@H]1CO 36447738 343145454 /nfs/dbraw/zinc/14/54/54/343145454.db2.gz NNWLZXCTNYEQIL-QWWZWVQMSA-N 0 3 117.104 -0.356 40 5 ABBBHN O=[N+]([O-])C1C[C@@H]1CO 38250874 343186365 /nfs/dbraw/zinc/18/63/65/343186365.db2.gz NNWLZXCTNYEQIL-DMTCNVIQSA-N 0 3 117.104 -0.356 40 5 ABBBHN O=[N+]([O-])C1C[C@H]1CO 208379763 344376673 /nfs/dbraw/zinc/37/66/73/344376673.db2.gz NNWLZXCTNYEQIL-IUYQGCFVSA-N 0 3 117.104 -0.356 40 5 ABBBHN O=[N+]([O-])C1C[C@H]1CO 208379798 344376703 /nfs/dbraw/zinc/37/67/03/344376703.db2.gz NNWLZXCTNYEQIL-IMJSIDKUSA-N 0 3 117.104 -0.356 40 5 ABBBHN