smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N-]c2ncnc([N-]c3nc4ccccc4s3)c2[N+](=O)[O-])no1 ZINC000040582169 208257655 /nfs/dbraw/zinc/25/76/55/208257655.db2.gz YCLUYBXFLWYIHS-UHFFFAOYSA-N -2 0 369.366 3.778 10 5 FHBERL O=[N+]([O-])c1c([N-]c2nccs2)ncnc1[N-]c1nc2ccccc2s1 ZINC000040645321 208261823 /nfs/dbraw/zinc/26/18/23/208261823.db2.gz FTNLWARDKDDSGB-UHFFFAOYSA-N -2 0 371.407 3.938 10 5 FHBERL