smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=Nc2nc3[n-]nnn3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)C1C ZINC000102809596 204049991 /nfs/dbraw/zinc/04/99/91/204049991.db2.gz OFBMOQFVGDTWRQ-NSHDSACASA-N -1 1 339.315 1.572 1 5 EDBFMM CC1=Nc2nc3[n-]nnn3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C ZINC000102809598 204050070 /nfs/dbraw/zinc/05/00/70/204050070.db2.gz OFBMOQFVGDTWRQ-LLVKDONJSA-N -1 1 339.315 1.572 1 5 EDBFMM COc1cc(C(=O)Nc2nn[n-]n2)nc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000029317731 202184516 /nfs/dbraw/zinc/18/45/16/202184516.db2.gz MJUGQQDMMGFRET-UHFFFAOYSA-N -1 1 341.287 1.431 1 5 EDBFMM