smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)N[N+](C)(C)C1=O 17000662 343045490 /nfs/dbraw/zinc/04/54/90/343045490.db2.gz WRNRWAROXHYNJY-UHFFFAOYSA-O 1 2 144.154 -0.247 40 5 ABBBLO Cc1nc(NN)c([N+](=O)[O-])c(NN)[nH+]1 6223661 343013348 /nfs/dbraw/zinc/01/33/48/343013348.db2.gz ZFPAZOBBVXFTFU-UHFFFAOYSA-N 1 2 199.174 -0.736 40 5 ABBBLO