smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004758473 291447252 /nfs/dbraw/zinc/44/72/52/291447252.db2.gz JKNAEXBSTWIWCV-YWZCALJYSA-N 1 0 325.349 -1.783 40 5 in-vitro EABBRO C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004758474 374240847 /nfs/dbraw/zinc/24/08/47/374240847.db2.gz JKNAEXBSTWIWCV-YLJFRXORSA-N 1 0 325.349 -1.783 40 5 in-vitro EABBRO C[N+](C)(C)c1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000004758475 210272875 /nfs/dbraw/zinc/27/28/75/210272875.db2.gz JKNAEXBSTWIWCV-CIPNSKCISA-N 1 0 325.349 -1.783 40 5 in-vitro EABBRO C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000004758476 291447338 /nfs/dbraw/zinc/44/73/38/291447338.db2.gz JKNAEXBSTWIWCV-UKHPNBTGSA-N 1 0 325.349 -1.783 40 5 in-vitro EABBRO