smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCC(=O)[O-] ZINC000009171546 569294079 /nfs/dbraw/zinc/29/40/79/569294079.db2.gz YIGAIWYPNZEBRQ-NSCUHMNNSA-N -1 2 442.178 1.376 50 5 IDBALM COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3cccc(OC)c3OC)=NO[C@@H]2C1=O ZINC000101275877 557266369 /nfs/dbraw/zinc/26/63/69/557266369.db2.gz VIMZKSWSPLNAGX-QAPCUYQASA-N -1 2 427.369 1.913 50 5 IDBALM