smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000040177045 213279941 /nfs/dbraw/zinc/27/99/41/213279941.db2.gz IBBHCKJQKDWSEU-UHFFFAOYSA-N 1 2 335.363 4.321 10 5 EIBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC=C(c4cccs4)CC3)nc2c1 ZINC000083198783 1021512708 /nfs/dbraw/zinc/51/27/08/1021512708.db2.gz WALIFFFPTUEFEN-UHFFFAOYSA-N 1 2 341.392 4.087 10 5 EIBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC=C(c4cccs4)CC3)nc2c1 ZINC000083198783 1021512734 /nfs/dbraw/zinc/51/27/34/1021512734.db2.gz WALIFFFPTUEFEN-UHFFFAOYSA-N 1 2 341.392 4.087 10 5 EIBELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000040177056 213279748 /nfs/dbraw/zinc/27/97/48/213279748.db2.gz CONWHLRYWTWFQP-UHFFFAOYSA-N 1 2 335.363 4.321 10 5 EIBELO