smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@]1(O)C(C(C)=O)=N[N-]c2c([N+](=O)[O-])c([N+](=O)[O-])nn21 ZINC000075250918 379318250 /nfs/dbraw/zinc/31/82/50/379318250.db2.gz VNRAUPSTBHANCT-QMMMGPOBSA-N -1 1 300.187 -0.681 50 5 DBBAMM CO[C@]1(O)C(C(C)=O)=N[N-]c2c([N+](=O)[O-])c([N+](=O)[O-])nn21 ZINC000075250920 379319034 /nfs/dbraw/zinc/31/90/34/379319034.db2.gz VNRAUPSTBHANCT-MRVPVSSYSA-N -1 1 300.187 -0.681 50 5 DBBAMM CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)NC2=O ZINC000004593551 277022809 /nfs/dbraw/zinc/02/28/09/277022809.db2.gz ZSAHOMWWACFLPE-UHFFFAOYSA-N -1 1 304.262 -0.061 50 5 DBBAMM