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)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O ZINC000008994575 282651213 /nfs/dbraw/zinc/65/12/13/282651213.db2.gz GVXPGEVVMIGYEA-WBMJQRKESA-N 0 0 344.327 0.814 50 5 ECBARN C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000024682111 202119679 /nfs/dbraw/zinc/11/96/79/202119679.db2.gz QEYKMPXNLSUULK-LLVKDONJSA-N 0 0 329.378 0.594 50 5 ECBARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000029206406 202182854 /nfs/dbraw/zinc/18/28/54/202182854.db2.gz RTCHWQIDVOHTOC-GFCCVEGCSA-N 0 0 341.389 0.678 50 5 ECBARN O=c1oc2cc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccccc12 ZINC000006623665 201688175 /nfs/dbraw/zinc/68/81/75/201688175.db2.gz XYWYWFCGRDAPEG-KBEGMRNHSA-N 0 0 344.319 0.764 50 5 ECBARN CC(=O)N1CCC[C@@H](C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000016554532 211913773 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