smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cc(NC(=O)c2ccc([N+](=O)[O-])o2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615944 527301327 /nfs/dbraw/zinc/30/13/27/527301327.db2.gz NFSKEWBCKAPSTM-UHFFFAOYSA-N 1 2 413.390 4.197 10 5 HIBELO Cc1[nH+]cc(NC(=O)c2ccc([N+](=O)[O-])o2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616134 527301727 /nfs/dbraw/zinc/30/17/27/527301727.db2.gz ZHMLVGLBSCBGCN-UHFFFAOYSA-N 1 2 409.427 4.366 10 5 HIBELO