smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(O)c(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)N=C(N)N=C2[O-])c(=O)[nH]1 ZINC000408927387 534841719 /nfs/dbraw/zinc/84/17/19/534841719.db2.gz WIRKVGOJTRPNFX-UHFFFAOYSA-N -1 2 387.312 0.003 40 5 GCBBLM Nc1nc(O)c(C(c2cccc([N+](=O)[O-])c2)C2C(=O)N=C(N)N=C2[O-])c(=O)[nH]1 ZINC000408920051 534840546 /nfs/dbraw/zinc/84/05/46/534840546.db2.gz GOQGOGLGJVOEFK-UHFFFAOYSA-N -1 2 387.312 0.003 40 5 GCBBLM