smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000514301635 1066262362 /nfs/dbraw/zinc/26/23/62/1066262362.db2.gz BIHFXAKEQXVKDN-UHFFFAOYSA-N 1 2 517.608 1.050 20 5 KDBDLO O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514400830 1066319361 /nfs/dbraw/zinc/31/93/61/1066319361.db2.gz BPCQJKQCZVBPKV-UHFFFAOYSA-N 1 2 503.581 1.372 20 5 KDBDLO O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514401346 1066317187 /nfs/dbraw/zinc/31/71/87/1066317187.db2.gz UVVZCKHVZRPILC-UHFFFAOYSA-N 1 2 503.581 1.372 20 5 KDBDLO