smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)O[C@H]2O[C@H]([C@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](O)[C@H]2O1 ZINC000261493234 572112001 /nfs/dbraw/zinc/11/20/01/572112001.db2.gz INEXGVIWXUFFLU-HCVQLXTOSA-N 0 3 788.757 -0.981 50 5 KBBAHN CC1(C)O[C@H]2O[C@H]([C@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](O)[C@H]2O1 ZINC000261493235 572111852 /nfs/dbraw/zinc/11/18/52/572111852.db2.gz INEXGVIWXUFFLU-KXKNPTHKSA-N 0 3 788.757 -0.981 50 5 KBBAHN CC1(C)O[C@H]2O[C@H]([C@@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](O)[C@H]2O1 ZINC000261493236 572111875 /nfs/dbraw/zinc/11/18/75/572111875.db2.gz INEXGVIWXUFFLU-MALVHUFKSA-N 0 3 788.757 -0.981 50 5 KBBAHN CC1(C)O[C@H]2O[C@H]([C@@H](O)CN(C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](O)[C@H]2O1 ZINC000261493237 572112036 /nfs/dbraw/zinc/11/20/36/572112036.db2.gz INEXGVIWXUFFLU-QAAYXQEYSA-N 0 3 788.757 -0.981 50 5 KBBAHN